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0708.0840
Luciano da Fontoura Costa
Luis Enrique Correa da Rocha and Luciano da Fontoura Costa
Multiple complex networks emerging from individual interactions
26 pages, 14 figures. A working manuscript, comments welcomed
null
null
null
physics.bio-ph physics.comp-ph
null
Systems composed of distinct complex networks are present in many real-world environments, from society to ecological systems. In the present paper, we propose a network model obtained as a consequence of interactions between two species (e.g. predator and prey). Fields are produced and sensed by the individuals, defining spatio-temporal patterns which are strongly affected by the attraction intensity between individuals from the same species. The dynamical evolution of the system, including the change of individuals between different clusters, is investigated by building two complex networks having the individuals as nodes. In the first network, the edge weight is given by the Euclidean distance between every two individuals and, in the case of the second network, by the amount of time two individuals stay close one another. A third network is obtained from the two previous networks whose nodes correspond to the spatially congruent groups. The system evolves to an organized state where Gaussian and scale-free-like strength distributions emerge, respectively, in the predator and prey networks. Such a different connectivity is mainly a consequence of preys elimination. Some configurations favor the survival of preys or higher efficiency of predator activity.
2007-08-08
0708.0862
Jun-nosuke Teramae
Jun-nosuke Teramae and Tomoki Fukai
Reliability of temporal coding on pulse-coupled networks of oscillators
4 pages, 3 figures
null
null
null
nlin.AO cond-mat.dis-nn q-bio.NC
null
We study the reliability of spike output in a general class of pulse-coupled oscillators receiving a fluctuating input. Showing that this problem is equivalent to noise-induced synchronization between identical networks of oscillators, we employ the phase reduction method to analytically derive the average Lyapunov exponent of the synchronized state. We show that a transition occurs between reliable and unreliable responses at a critical coupling strength, which is determined through the competition between the external input and recurrent input. To our surprise, the critical value does not depend on intrinsic properties of oscillators.
2007-08-08
0708.0987
Ping Ao
P Ao
Darwinian Dynamics Implies Developmental Ascendency
3 pages, latex
Biological Theory 2 (1) (2007) 113-115
null
null
q-bio.PE q-bio.OT
null
A tendency in biological theorizing is to formulate principles above or equal to Evolution by Variation and Selection of Darwin and Wallace. In this letter I analyze one such recent proposal which did so for the developmental ascendency. I show that though the idea of developmental ascendency is brilliant, this is in wrong order in the hierarchical structure of biological theories and can easily generate confusing. Several other examples are also briefly discussed in the note added.
2007-08-08
0708.1067
Debashish Chowdhury
Tripti Tripathi and Debashish Chowdhury
Interacting RNA polymerase motors on DNA track: effects of traffic congestion and intrinsic noise on RNA synthesis
13 pages, including 6 EPS figures; accepted for publication in Physical Review E
Physical Review E 77, 011921 (2008)
10.1103/PhysRevE.77.011921
null
physics.bio-ph q-bio.BM
null
RNA polymerase (RNAP) is an enzyme that synthesizes a messenger RNA (mRNA) strand which is complementary to a single-stranded DNA template. From the perspective of physicists, an RNAP is a molecular motor that utilizes chemical energy input to move along the track formed by a DNA. In many circumstances, which are described in this paper, a large number of RNAPs move simultaneously along the same track; we refer to such collective movements of the RNAPs as RNAP traffic. Here we develop a theoretical model for RNAP traffic by incorporating the steric interactions between RNAPs as well as the mechano-chemical cycle of individual RNAPs during the elongation of the mRNA. By a combination of analytical and numerical techniques, we calculate the rates of mRNA synthesis and the average density profile of the RNAPs on the DNA track. We also introduce, and compute, two new measures of fluctuations in the synthesis of RNA. Analyzing these fluctuations, we show how the level of {\it intrinsic noise} in mRNA synthesis depends on the concentrations of the RNAPs as well as on those of some of the reactants and the products of the enzymatic reactions catalyzed by RNAP. We suggest appropriate experimental systems and techniques for testing our theoretical predictions.
2008-02-06
0708.1136
Zeba Wunderlich
Zeba Wunderlich, Leonid A. Mirny
Spatial effects on the speed and reliability of protein-DNA search
16 pages, 4 figures
Nucleic Acids Res. 2008 May 3
10.1093/nar/gkn173
null
q-bio.BM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Strong experimental and theoretical evidence shows that transcription factors and other specific DNA-binding proteins find their sites using a two-mode search: alternating between 3D diffusion through the cell and 1D sliding along the DNA. We consider the role spatial effects in the mechanism on two different scales. First, we reconcile recent experimental findings by showing that the 3D diffusion of the transcription factor is often local, i.e. the transcription factor lands quite near its dissociation site. Second, we discriminate between two types of searches: global searches and local searches. We show that these searches differ significantly in average search time and the variability of search time. Using experimentally measured parameter values, we also show that 1D and 3D search is not optimally balanced, leading to much larger estimates of search time. Together, these results lead to a number of biological implications including suggestions of how prokaryotes and eukaryotes achieve rapid gene regulation and the relationship between the search mechanism and noise in gene expression.
2008-06-11
0708.1173
Nikolai Rulkov
Nikolai F. Rulkov
A Map-Based Model of the Cardiac Action Potential
6 pages, 9 figures, submitted to PRE
null
null
null
q-bio.CB
null
A discrete time model that is capable of replicating the basic features of cardiac cell action potentials is suggested. The paper shows how the map-based approaches can be used to design highly efficient computational models (algorithms) that enable large-scale simulations and analysis of discrete network models of cardiac activity.
2007-08-10
0708.1256
Jose-Luis Aragon
J. L\'opez-Sauceda and J.L. Arag\'on
Eutacticity in sea urchin evolution
17 pages, 6 figures
Bulletin of Mathematical Biology, 70 (2008) 625-634
10.1007/s11538-007-9273-2
null
q-bio.QM
null
An eutactic star, in a n-dimensional space, is a set of N vectors which can be viewed as the projection of N orthogonal vectors in a N-dimensional space. By adequately associating a star of vectors to a particular sea urchin we propose that a measure of the eutacticity of the star constitutes a measure of the regularity of the sea urchin. Then we study changes of regularity (eutacticity) in a macroevolutive and taxonomic level of sea urchins belonging to the Echinoidea Class. An analysis considering changes through geological time suggests a high degree of regularity in the shape of these organisms through their evolution. Rare deviations from regularity measured in Holasteroida order are discussed.
2021-11-05
0708.1341
David Hsu
David Hsu, Murielle Hsu, He Huang and Erwin B. Montgomery, Jr
An algorithm for detecting oscillatory behavior in discretized data: the damped-oscillator oscillator detector
20 pages, 6 figures
null
null
null
q-bio.QM q-bio.NC
null
We present a simple algorithm for detecting oscillatory behavior in discrete data. The data is used as an input driving force acting on a set of simulated damped oscillators. By monitoring the energy of the simulated oscillators, we can detect oscillatory behavior in data. In application to in vivo deep brain basal ganglia recordings, we found sharp peaks in the spectrum at 20 and 70 Hz. The algorithm is also compared to the conventional fast Fourier transform and circular statistics techniques using computer generated model data, and is found to be comparable to or better than fast Fourier transform in test cases. Circular statistics performed poorly in our tests.
2012-08-27
0708.1439
Walton Gutierrez
Walton R. Gutierrez
The Optimal Form of Distribution Networks Applied to the Kidney and Lung
12 pages, 6 figures
null
null
null
q-bio.TO q-bio.QM
null
A model is proposed to minimize the total volume of the main distribution networks of fluids in relation to the organ form. The minimization analysis shows that the overall exterior form of distribution networks is a modified ellipsoid, a geometric form that is a good approximation to the external anatomy of the kidney and lung. The variational procedure implementing this minimization is similar to the traditional isoperimetric theorems of geometry. A revised version of this preprint that expands Section 4 will be published in the Journal of Biological Systems, World Scientific Publishing.
2007-08-13
0708.1449
Hendrik Ulbricht
Sarayut Deachapunya, Paul J. Fagan, Andras G. Major, Elisabeth Reiger, Helmut Ritsch, Andre Stefanov, Hendrik Ulbricht and Markus Arndt
Slow beams of massive molecules
7 pages, 6 figures
Eur. Phys. J. D 46, 307 (2008)
10.1140/epjd/e2007-00301-8
null
quant-ph physics.atm-clus physics.bio-ph physics.chem-ph
null
Slow beams of neutral molecules are of great interest for a wide range of applications, from cold chemistry through precision measurements to tests of the foundations of quantum mechanics. We report on the quantitative observation of thermal beams of perfluorinated macromolecules with masses up to 6000 amu, reaching velocities down to 11 m/s. Such slow, heavy and neutral molecular beams are of importance for a new class of experiments in matter-wave interferometry and we also discuss the requirements for further manipulation and cooling schemes with molecules in this unprecedented mass range.
2009-11-13
0708.1598
HC Paul Lee
Sing-Guan Kong, Hong-Da Chen, Wen-Lang Fan, Jan Wigger, Andrew Torda, and HC Lee
Genomes: at the edge of chaos with maximum information capacity
4 pages, 3 figures, paper
null
null
null
q-bio.GN
null
We propose an order index, phi, which quantifies the notion of ``life at the edge of chaos'' when applied to genome sequences. It maps genomes to a number from 0 (random and of infinite length) to 1 (fully ordered) and applies regardless of sequence length. The 786 complete genomic sequences in GenBank were found to have phi values in a very narrow range, 0.037+/-0.027. We show this implies that genomes are halfway towards being completely random, namely, at the edge of chaos. We argue that this narrow range represents the neighborhood of a fixed-point in the space of sequences, and genomes are driven there by the dynamics of a robust, predominantly neutral evolution process.
2007-08-14
0708.1637
Thimo Rohlf
Thimo Rohlf
Self-organization of heterogeneous topology and symmetry breaking in networks with adaptive thresholds and rewiring
4 pages revtex, 6 figures
null
10.1209/0295-5075/84/10004
null
cond-mat.dis-nn cond-mat.stat-mech nlin.AO q-bio.MN
null
We study an evolutionary algorithm that locally adapts thresholds and wiring in Random Threshold Networks, based on measurements of a dynamical order parameter. A control parameter $p$ determines the probability of threshold adaptations vs. link rewiring. For any $p < 1$, we find spontaneous symmetry breaking into a new class of self-organized networks, characterized by a much higher average connectivity $\bar{K}_{evo}$ than networks without threshold adaptation ($p =1$). While $\bar{K}_{evo}$ and evolved out-degree distributions are independent from $p$ for $p <1$, in-degree distributions become broader when $p \to 1$, approaching a power-law. In this limit, time scale separation between threshold adaptions and rewiring also leads to strong correlations between thresholds and in-degree. Finally, evidence is presented that networks converge to self-organized criticality for large $N$.
2009-11-13
0708.1746
Attila Szolnoki
Matjaz Perc and Attila Szolnoki
Social diversity and promotion of cooperation in the spatial prisoner's dilemma game
5 two-column pages, 5 figures
Phys. Rev. E 77 (2008) 011904
10.1103/PhysRevE.77.011904
null
physics.soc-ph physics.gen-ph q-bio.PE
null
The diversity in wealth and social status is present not only among humans, but throughout the animal world. We account for this observation by generating random variables that determ ine the social diversity of players engaging in the prisoner's dilemma game. Here the term social diversity is used to address extrinsic factors that determine the mapping of game pay offs to individual fitness. These factors may increase or decrease the fitness of a player depending on its location on the spatial grid. We consider different distributions of extrin sic factors that determine the social diversity of players, and find that the power-law distribution enables the best promotion of cooperation. The facilitation of the cooperative str ategy relies mostly on the inhomogeneous social state of players, resulting in the formation of cooperative clusters which are ruled by socially high-ranking players that are able to prevail against the defectors even when there is a large temptation to defect. To confirm this, we also study the impact of spatially correlated social diversity and find that coopera tion deteriorates as the spatial correlation length increases. Our results suggest that the distribution of wealth and social status might have played a crucial role by the evolution of cooperation amongst egoistic individuals.
2008-03-29
0708.1781
Eduardo Candelario-Jalil
A. Gonzalez-Falcon, E. Candelario-Jalil, M. Garcia-Cabrera, O. S. Leon
Effects of pyruvate administration on infarct volume and neurological deficits following permanent focal cerebral ischemia in rats
null
Brain Research 990(1-2): 1-7 (2003)
null
null
q-bio.TO
null
Recent experimental evidences indicate that pyruvate, the final metabolite of glycolysis, has a remarkable protective effect against different types of brain injury. The purpose of this study was to assess the neuroprotective effect and the neurological outcome after pyruvate administration in a model of ischemic stroke induced by permanent middle cerebral artery occlusion (pMCAO) in rats. Three doses of pyruvate (250, 500 and 1000 mg/kg, i.p.) or vehicle were administered intraperitoneally 30 min after pMCAO. In other set of experiments, pyruvate was given either before, immediately after ischemia or in a long-term administration paradigm. Functional outcome, mortality and infarct volume were determined 24 h after stroke. Even when the lowest doses of pyruvate reduced mortality and neurological deficits, no concomitant reduction in infarct volume was observed. The highest dose of pyruvate increased cortical infarction by 27% when administered 30 min after pMCAO. In addition, when pyruvate was given before pMCAO, a significant increase in neurological deficits was noticed. Surprisingly, on the contrary of what was found in the case of transient global ischemia, present findings do not support a great neuroprotective role for pyruvate in permanent focal cerebral ischemia, suggesting two distinct mechanisms involved in the effects of this glycolytic metabolite in the ischemic brain.
2007-08-15
0708.1791
Joshua Shaevitz
Joshua W. Shaevitz, Daniel A. Fletcher
Load fluctuations drive actin network growth
To be published in PNAS
null
10.1073/pnas.0702601104
null
physics.bio-ph
null
The growth of actin filament networks is a fundamental biological process that drives a variety of cellular and intracellular motions. During motility, eukaryotic cells and intracellular pathogens are propelled by actin networks organized by nucleation-promoting factors, which trigger the formation of nascent filaments off the side of existing filaments in the network. A Brownian ratchet (BR) mechanism has been proposed to couple actin polymerization to cellular movements, whereby thermal motions are rectified by the addition of actin monomers at the end of growing filaments. Here, by following actin--propelled microspheres using three--dimensional laser tracking, we find that beads adhered to the growing network move via an object--fluctuating BR. Velocity varies with the amplitude of thermal fluctuation and inversely with viscosity as predicted for a BR. In addition, motion is saltatory with a broad distribution of step sizes that is correlated in time. These data point to a model in which thermal fluctuations of the microsphere or entire actin network, and not individual filaments, govern motility. This conclusion is supported by Monte Carlo simulations of an adhesion--based BR and suggests an important role for membrane tension in the control of actin--based cellular protrusions.
2009-11-13
0708.1794
Jan Karbowski
Jan Karbowski, Gary Schindelman, Chris J. Cronin, Adeline Seah, Paul W. Sternberg
Systems level circuit model of C. elegans undulatory locomotion: mathematical modeling and molecular genetics
Neural control of C. elegans motion with genetic perturbations
Journal of Computational Neuroscience 24, 253-276 (2008)
null
null
q-bio.NC q-bio.GN
null
To establish the relationship between locomotory behavior and dynamics of neural circuits in the nematode C. elegans we combined molecular and theoretical approaches. In particular, we quantitatively analyzed the motion of C. elegans with defective synaptic GABA and acetylcholine transmission, defective muscle calcium signaling, and defective muscles and cuticle structures, and compared the data with our systems level circuit model. The major experimental findings are: (i) anterior-to-posterior gradients of body bending flex for almost all strains both for forward and backward motion, and for neuronal mutants, also analogous weak gradients of undulatory frequency, (ii) existence of some form of neuromuscular (stretch receptor) feedback, (iii) invariance of neuromuscular wavelength, (iv) biphasic dependence of frequency on synaptic signaling, and (v) decrease of frequency with increase of the muscle time constant. Based on (i) we hypothesize that the Central Pattern Generator (CPG) is located in the head both for forward and backward motion. Points (i) and (ii) are the starting assumptions for our theoretical model, whose dynamical patterns are qualitatively insensitive to the details of the CPG design if stretch receptor feedback is sufficiently strong and slow. The model reveals that stretch receptor coupling in the body wall is critical for generation of the neuromuscular wave. Our model agrees with our behavioral data(iii), (iv), and (v), and with other pertinent published data, e.g., that frequency is an increasing function of muscle gap-junction coupling.
2008-06-10
0708.1802
Vijay Kumar Krishna Murthy
K. Vijay Kumar, Sriram Ramaswamy, Madan Rao
Active elastic dimers: self-propulsion and current reversal on a featureless track
4 pages
null
null
null
cond-mat.stat-mech cond-mat.soft q-bio.BM
null
We present a Brownian inchworm model of a self-propelled elastic dimer in the absence of an external potential. Nonequilibrium noise together with a stretch-dependent damping form the propulsion mechanism. Our model connects three key nonequilibrium features -- position-velocity correlations, a nonzero mean internal force, and a drift velocity. Our analytical results, including striking current reversals, compare very well with numerical simulations. The model unifies the propulsion mechanisms of DNA helicases, polar rods on a vibrated surface, crawling keratocytes and Myosin VI. We suggest experimental realizations and tests of the model.
2011-11-10
0708.1823
Francoise Heres-Renzetti
V. Petrenko, J. Brigati, J. Sykora, Eric V. Olsen, I. Sorokulova, G. Kouzmitcheva, I-Hsuan Chen, J. Barbaree, B. Chin, V. Vodyanoy
Landscape phage, phage display, stripped phage, biosensors, detection, affinity reagent, nanotechnology, Salmonella typhimurium, Bacillus anthracis
Submitted on behalf of TIMA Editions (http://irevues.inist.fr/tima-editions)
Dans European Nano Systems Worshop - ENS 2005, Paris : France (2005)
null
null
cond-mat.mtrl-sci q-bio.CB
null
Filamentous phage, such as fd used in this study, are thread-shaped bacterial viruses. Their outer coat is a tube formed by thousands equal copies of the major coat protein pVIII. We constructed libraries of random peptides fused to all pVIII domains and selected phages that act as probes specific for a panel of test antigens and biological threat agents. Because the viral carrier is infective, phage borne bio-selective probes can be cloned individually and propagated indefinitely without needs of their chemical synthesis or reconstructing. We demonstrated the feasibility of using landscape phages and their stripped fusion proteins as new bioselective materials that combine unique characteristics of affinity reagents and self assembling membrane proteins. Biorecognition layers fabricated from phage-derived probes bind biological agents and generate detectable signals. The performance of phage-derived materials as biorecognition films was illustrated by detection of streptavidin-coated beads, Bacillus anthracis spores and Salmonella typhimurium cells. With further refinement, the phage-derived analytical platforms for detecting and monitoring of numerous threat agents may be developed, since the biodetector films may be obtained from landscape phages selected against any bacteria, virus or toxin. As elements of field-use detectors, they are superior to antibodies, since they are inexpensive, highly specific and strong binders, resistant to high temperatures and environmental stresses.
2007-08-15
0708.1839
Francoise Heres-Renzetti
Satoshi Hiyama, Y. Isogawa, T. Suda, Y. Moritani, Kazuo Sutoh
A Design of an Autonomous Molecule Loading/Transporting/Unloading System Using DNA Hybridization and Biomolecular Linear Motors
Submitted on behalf of TIMA Editions (http://irevues.inist.fr/tima-editions)
Dans European Nano Systems Worshop - ENS 2005, Paris : France (2005)
null
null
physics.bio-ph q-bio.MN
null
This paper describes a design of a molecular propagation system in molecular communication. Molecular communication is a new communication paradigm where biological and artificially-created nanomachines communicate over a short distance using molecules. A molecular propagation system in molecular communication directionally transports molecules from a sender to a receiver. In the design described in this paper, protein filaments glide over immobilized motor proteins along preconfigured microlithographic tracks, and the gliding protein filaments carry and transport molecules from a sender to a receiver. In the design, DNA hybridization is used to load and unload the molecules onto and from the carriers at a sender and a receiver. In the design, loading/transporting/unloading processes are autonomous and require no external control.
2007-08-15
0708.1840
Francoise Heres-Renzetti
Mustapha Hamdi (LVR), Gaurav Sharma, A. Ferreira (LVR), Constantinos Mavroidis
Prototyping Bio-Nanorobots using Molecular Dynamics Simulation
Submitted on behalf of TIMA Editions (http://irevues.inist.fr/tima-editions)
Dans European Nano Systems Worshop - ENS 2005, Paris : France (2005)
null
null
physics.bio-ph
null
This paper presents a molecular mechanics study using a molecular dynamics software (NAMD) coupled to virtual reality (VR) techniques for intuitive Bio-NanoRobotic prototyping. Using simulated Bio-Nano environments in VR, the operator can design and characterize through physical simulation and 3-D visualization the behavior of Bio-NanoRobotic components and structures. The main novelty of the proposed simulations is based on the characterization of stiffness performances of passive joints-based deca-alanine protein molecule and active joints-based viral protein motor (VPL) in their native environment. Their use as elementary Bio-NanoRobotic components (1 dof platform) are also simulated and the results discussed.
2007-08-15
0708.1849
Francoise Heres-Renzetti
Ching-Ting Lin, En-Kuang Tien, Szu-Yuan Lee, Long-Sheng Lu, Chau-Chung Wu, Chen-Yuan Dong, Chii-Wann Lin
Effects of Ox-LDL on Macrophages NAD(P)H Autofluorescence Changes by Two-photon Microscopy
Submitted on behalf of TIMA Editions (http://irevues.inist.fr/tima-editions)
Dans European Nano Systems Worshop - ENS 2005, Paris : France (2005)
null
null
physics.bio-ph
null
Ox-LDL uptakes by macrophage play a critical role in the happening of atherosclerosis. Because of its low damage on observed cells and better signal-to- background ratio, two-photon excitation fluorescence microscopy is used to observe NAD(P)H autofluorescence of macrophage under difference cultured conditions- bare cover glass, coated with fibronectin or poly-D-lysine. The results show that the optimal condition is fibronectin coated surface, on which, macrophages profile can be clearly identified on NAD(P)H autofluorescence images collected by two-photon microscopy. Moreover, different morphology and intensities of autofluorescence under different conditions were observed as well. In the future, effects of ox-LDL on macrophages will be investigated by purposed system to research etiology of atherosclerosis.
2007-08-15
0708.1865
Pan-Jun Kim
Pan-Jun Kim, Dong-Yup Lee, Tae Yong Kim, Kwang Ho Lee, Hawoong Jeong, Sang Yup Lee, Sunwon Park
Metabolite essentiality elucidates robustness of Escherichia coli metabolism
Supplements available at http://stat.kaist.ac.kr/publication/2007/PJKim_pnas_supplement.pdf
Proc. Natl. Acad. Sci. USA. 104 13638 (2007)
10.1073/pnas.0703262104
null
q-bio.MN physics.bio-ph q-bio.QM
null
Complex biological systems are very robust to genetic and environmental changes at all levels of organization. Many biological functions of Escherichia coli metabolism can be sustained against single-gene or even multiple-gene mutations by using redundant or alternative pathways. Thus, only a limited number of genes have been identified to be lethal to the cell. In this regard, the reaction-centric gene deletion study has a limitation in understanding the metabolic robustness. Here, we report the use of flux-sum, which is the summation of all incoming or outgoing fluxes around a particular metabolite under pseudo-steady state conditions, as a good conserved property for elucidating such robustness of E. coli from the metabolite point of view. The functional behavior, as well as the structural and evolutionary properties of metabolites essential to the cell survival, was investigated by means of a constraints-based flux analysis under perturbed conditions. The essential metabolites are capable of maintaining a steady flux-sum even against severe perturbation by actively redistributing the relevant fluxes. Disrupting the flux-sum maintenance was found to suppress cell growth. This approach of analyzing metabolite essentiality provides insight into cellular robustness and concomitant fragility, which can be used for several applications, including the development of new drugs for treating pathogens.
2007-08-30
0708.1899
Hernan Garcia
Hernan G. Garcia, Jan\'e Kondev, Nigel Orme, Julie A. Theriot, Rob Phillips
A First Exposure to Statistical Mechanics for Life Scientists
27 pages, 16 figures. Submitted to American Journal of Physics
null
null
null
q-bio.QM
null
Statistical mechanics is one of the most powerful and elegant tools in the quantitative sciences. One key virtue of statistical mechanics is that it is designed to examine large systems with many interacting degrees of freedom, providing a clue that it might have some bearing on the analysis of the molecules of living matter. As a result of data on biological systems becoming increasingly quantitative, there is a concomitant demand that the models set forth to describe biological systems be themselves quantitative. We describe how statistical mechanics is part of the quantitative toolkit that is needed to respond to such data. The power of statistical mechanics is not limited to traditional physical and chemical problems and there are a host of interesting ways in which these ideas can be applied in biology. This article reports on our efforts to teach statistical mechanics to life science students and provides a framework for others interested in bringing these tools to a nontraditional audience in the life sciences.
2007-08-15
0708.1928
Katja Taute
Katja M. Taute, Francesco Pampaloni, Erwin Frey and Ernst-Ludwig Florin
Microtubule dynamics depart from wormlike chain model
4 pages, 4 figures. Updated content, added reference, corrected typos
Physical Review Letters (2008), 100:028102.
10.1103/PhysRevLett.100.028102
null
q-bio.BM
null
Thermal shape fluctuations of grafted microtubules were studied using high resolution particle tracking of attached fluorescent beads. First mode relaxation times were extracted from the mean square displacement in the transverse coordinate. For microtubules shorter than 10 um, the relaxation times were found to follow an L^2 dependence instead of L^4 as expected from the standard wormlike chain model. This length dependence is shown to result from a complex length dependence of the bending stiffness which can be understood as a result of the molecular architecture of microtubules. For microtubules shorter than 5 um, high drag coefficients indicate contributions from internal friction to the fluctuation dynamics.
2008-09-09
0708.1931
Debanjan Chowdhury
Debanjan Chowdhury
Searching for targets on a model DNA: Effects of inter-segment hopping, detachment and re-attachment
Final published version
International Journal of Modern Physics C 20 (6), 817-830 (2009)
10.1142/S0129183109014023
null
cond-mat.stat-mech q-bio.BM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
For most of the important processes in DNA metabolism, a protein has to reach a specific binding site on the DNA. The specific binding site may consist of just a few base pairs while the DNA is usually several millions of base pairs long. How does the protein search for the target site? What is the most efficient mechanism for a successful search? Motivated by these fundamental questions on intracellular biological processes, we have developed a model for searching a specific site on a model DNA by a single protein. We have made a comparative quantitative study of the efficiencies of sliding, inter-segmental hoppings and detachment/re-attachments of the particle during its search for the specific site on the DNA. We also introduce some new quantitative measures of {\it efficiency} of a search process by defining a relevant quantity, which can be measured in {\it in-vitro} experiments.
2010-01-10
0708.1936
Hendrik Ulbricht
Hendrik Ulbricht, Martin Berninger, Sarayut Deachapunya, Andre Stefanov and Markus Arndt
Gas phase sorting of nanoparticles
6 pages, 5 figures
Nanotechnology 19, 045502 (2008)
10.1088/0957-4484/19/04/045502
null
quant-ph cond-mat.mtrl-sci physics.atm-clus physics.bio-ph physics.chem-ph
null
We discuss Stark deflectometry of micro-modulated molecular beams for the enrichment of biomolecular isomers as well as single-wall carbon nanotubes and we demonstrate the working principle of this idea with fullerenes. The sorting is based on the species-dependent polarizability-to-mass ratio $\alpha/m$. The device is compatible with a high molecular throughput, and the spatial micro-modulation of the beam permits to obtain a fine spatial resolution and a high sorting sensitivity.
2016-09-21
0708.1971
Eduardo Candelario-Jalil
E. Candelario-Jalil, H. H. Ajamieh, S. Sam, G. Martinez, O. S. Leon
Nimesulide limits kainate-induced oxidative damage in the rat hippocampus
null
European Journal of Pharmacology 390(3): 295-298 (2000)
null
null
q-bio.TO
null
Kainate induces a marked expression of cyclooxygenase-2 after its systemic administration. Because cyclooxygenase-2 activity is associated to the production of reactive oxygen species, we investigated the effects of nimesulide, a selective cyclooxygenase-2 inhibitor, on kainate-induced in vivo oxidative damage in the rat hippocampus. A clinically relevant dose of nimesulide (6 mg/kg, i.p.) was administered three times following kainate application (9 mg/kg, i.p.). After 24 h of kainate administration, the drastic decrease in hippocampal glutathione content and the significant increase in lipid peroxidation were attenuated in nimesulide-treated rats, suggesting that the induction of cyclooxygenase-2 is involved in kainate-mediated free radicals formation.
2007-08-16
0708.1991
Niranjan Joshi Dr.
N. V. Joshi
Conditions for the Trivers-Willard hypothesis to be valid: A minimal population-genetic model
14 pages including 4 figures
Journal of Genetics, Vol 79 issue 1, page 9-15 (2000)
null
null
q-bio.PE
null
The very insightful Trivers-Willard hypothesis, proposed in the early 1970s, states that females in good physiological conditions are more likely to produce male offspring, when the variance of reproductive success amongst males is high. A number of studies, aimed at its experimental verification, have found adequate supportive evidence in its favour. Theoretical investigations, however, have been few, perhaps because formulating a population-genetic model for describing the Trivers-Willard hypothesis turns out to be surprisingly complex. The present study describes a minimal population genetic model to explore one specific scenario, viz. how is the preference for a male offspring by females in good condition altered when 'g', the proportion of such females in the population changes from a low to a high value. As expected, when the proportion of such females is low, i.e., for low values of 'g', the Trivers-Willard (TW) strategy goes to fixation against the equal investment strategy. This holds true up to gmax, a critical value of 'g', above which the two strategies coexist, but the proportion of the TW strategy steadily decreases as 'g' increases to unity. Similarly, when the effect of well-endowed males attaining disproportionately high number of matings is more pronounced, the TW strategy is more likely to go to fixation. Interestingly, the success of the TW strategy has a complex dependence on the variance in the physiological condition of females. If the difference in the two types of conditions is not large, TW strategy is favoured, and its success is more likely as the difference increases. However, beyond a critical value of the difference, the TW strategy is found to be less and less likely to succeed as the difference becomes larger. Possible reasons for these effects are discussed.
2007-08-16
0708.1993
Zhao Lu
Zhao Lu and Michael A Lee
Dynamics of glucose-lactose diauxic growth in E. coli
This paper has been withdrawn by the author because it was a part of the author's thesis
null
null
null
q-bio.OT q-bio.CB
null
We present a mathematical model of glucose-lactose diauxic growth in Escherichia coli including both the postive and negative regulation mechanisms of the lactose operon as well as the inducer exclusion. To validate this model, we first calculated the time evolution of beta-galactosidase for only the lactose nutrient and compared the numerical results with experimental data. Second, we compared the calculated cell biomass of the glucose-lactose diauxic growth with the experimental optical density of the diauxic growth for a particular E. coli MG 1655. For both cases, the numerical calculations from this model are in good agreement with these two experiments' data. The diauxic growth pattern of a wild type E. coli was also investigated.
2011-01-31
0708.2038
Julius Lucks
Julius B. Lucks, David R. Nelson, Grzegorz Kudla, Joshua B. Plotkin
Genome landscapes and bacteriophage codon usage
9 Color Figures, 5 Tables, 53 References
Lucks JB, Nelson DR, Kudla GR, Plotkin JB (2008) Genome Landscapes and Bacteriophage Codon Usage. PLoS Computational Biology 4(2): e1000001
10.1371/journal.pcbi.1000001
null
q-bio.GN
null
Across all kingdoms of biological life, protein-coding genes exhibit unequal usage of synonmous codons. Although alternative theories abound, translational selection has been accepted as an important mechanism that shapes the patterns of codon usage in prokaryotes and simple eukaryotes. Here we analyze patterns of codon usage across 74 diverse bacteriophages that infect E. coli, P. aeruginosa and L. lactis as their primary host. We introduce the concept of a `genome landscape,' which helps reveal non-trivial, long-range patterns in codon usage across a genome. We develop a series of randomization tests that allow us to interrogate the significance of one aspect of codon usage, such a GC content, while controlling for another aspect, such as adaptation to host-preferred codons. We find that 33 phage genomes exhibit highly non-random patterns in their GC3-content, use of host-preferred codons, or both. We show that the head and tail proteins of these phages exhibit significant bias towards host-preferred codons, relative to the non-structural phage proteins. Our results support the hypothesis of translational selection on viral genes for host-preferred codons, over a broad range of bacteriophages.
2008-03-04
0708.2061
Eduardo Candelario-Jalil
E. Candelario-Jalil, S. M. Al-Dalain, R. Castillo, G. Martinez, O. S. Fernandez
Selective vulnerability to kainate-induced oxidative damage in different rat brain regions
null
Journal of Applied Toxicology 21(5): 403-407 (2001)
null
null
q-bio.TO
null
Some markers of oxidative injury were measured in different rat brain areas (hippocampus, cerebral cortex, striatum, hypothalamus, amygdala/piriform cortex and cerebellum) after the systemic administration of an excitotoxic dose of kainic acid (KA, 9 mg kg(-1) i.p.) at two different sampling times (24 and 48 h). Kainic acid was able to lower markedly (P < 0.05) the glutathione (GSH) levels in hippocampus, cerebellum and amygdala/piriform cortex (maximal reduction at 24 h). In a similar way, lipid peroxidation, as assessed by malonaldehyde and 4-hydroxyalkenal levels, significantly increased (P < 0.05) in hippocampus, cerebellum and amygdala/piriform cortex mainly at 24 h after KA. In addition, hippocampal superoxide dismutase (SOD) activity decreased significantly (P < 0.05) with respect to basal levels by 24 h after KA application. On the other hand, brain areas such as hypothalamus, striatum and cerebral cortex seem to be less susceptible to KA excitotoxicity. According to these findings, the pattern of oxidative injury induced by systemically administered KA seems to be highly region-specific. Further, our results have shown that a lower antioxidant status (GSH and SOD) seems not to play an important role in the selective vulnerability of certain brain regions because it correlates poorly with increases in markers of oxidative damage.
2007-08-16
0708.2083
Jie Chen
Jie Chen, Ruxandra I. Dima and D. Thirumalai
Allosteric communication in Dihydrofolate Reductase: Signaling network and pathways for closed to occluded transition and back
43 pages, 12 figures
null
null
null
q-bio.BM
null
E. Coli. dihydrofolate reductase (DHFR) undergoes conformational transitions between the closed (CS) and occluded (OS) states which, respectively, describe whether the active site is closed or occluded by the Met20 loop. A sequence-based approach is used to identify a network of residues that represents the allostery wiring diagram. We also use a self-organized polymer model to monitor the kinetics of the CS->OS and the reverse transitions. a sliding motion of Met20 loop is observed. The residues that facilitate the Met20 loop motion are part of the network of residues that transmit allosteric signals during the CS->OS transition.
2007-08-16
0708.2121
Ashok Palaniappan
Ashok Palaniappan
Detection of an ancient principle and an elegant solution to the protein classification problem
13p
null
null
null
q-bio.GN q-bio.BM q-bio.QM
null
This work is concerned with the development of a well-founded, theoretically justified, and least complicated metric for the classification of proteins with reference to enzymes. As the signature of an enzyme family, a catalytic domain is easily fingerprinted. Given that the classification problem has so far seemed intractable, a classification schema derived from the catalytic domain would be satisfying. Here I show that there exists a natural ab initio if nonobvious basis to theorize that the catalytic domain of an enzyme is uniquely informative about its regulation. This annotates its function. Based on this hypothesis, a method that correctly classifies potassium ion channels into their respective subfamilies is described. To put the principle on firmer ground, extra validation was sought and obtained through co-evolutionary analyses. The co-evolutionary analyses reveal a departure from the notion that potassium ion channel proteins are functionally modular. This finding is discussed in light of the prevailing notion of domain. These studies establish that significant co-evolution of the catalytic domain of a gene with its conjoint domain is a specialized, necessary process following fusion and swapping events in evolution. Instances of this discovery are likely to be found pervasive in protein science.
2007-08-17
0708.2124
Mike Steel Prof.
Mike Steel and Allen Rodrigo
Maximum Likelihood Supertrees
13 pages, 0 figures
null
null
null
q-bio.PE q-bio.QM
null
We analyse a maximum-likelihood approach for combining phylogenetic trees into a larger `supertree'. This is based on a simple exponential model of phylogenetic error, which ensures that ML supertrees have a simple combinatorial description (as a median tree, minimising a weighted sum of distances to the input trees). We show that this approach to ML supertree reconstruction is statistically consistent (it converges on the true species supertree as more input trees are combined), in contrast to the widely-used MRP method, which we show can be statistically inconsistent under the exponential error model. We also show that this statistical consistency extends to an ML approach for constructing species supertrees from gene trees. In this setting, incomplete lineage sorting (due to coalescence rates of homologous genes being lower than speciation rates) has been shown to lead to gene trees that are frequently different from species trees, and this can confound efforts to reconstruct the species phylogeny correctly.
2007-08-17
0708.2141
Shyamal Lakshminarayanan
Shyamal Lakshminarayanan
A model for exploring bird morphology
7 pages, 1 table, 3 figures
null
null
null
q-bio.OT
null
A simplified model of the bird skeleton along with elongation parameters for the flight feathers is used to explore the diversity of bird shapes. Varying a small number of parameters simulates a wide range of observed bird silhouettes. The model may serve to examine developmental factors involved, help museum curators develop computational approaches to bird morphometry and has applications in computer generated illustration.
2007-08-17
0708.2147
Dalius Balciunas
Dalius Balciunas
The logistic equation and a critique of the theory of natural selection
31 pages, 5 figures, appendix
null
null
null
q-bio.PE
null
Species coexistence is one of the central themes in modern ecology. Coexistence is a prerequisite of biological diversity. However, the question arises how biodiversity can be reconciled with the statement of competition theory, which asserts that competing species cannot coexist. To solve this problem natural selection theory is rejected because it contradicts kinetic models of interacting populations. Biological evolution is presented as a process equivalent to a chemical reaction. The main point is that interactions occur between self-replicating units. Under these assumptions biodiversity is possible if and only if species are identical with respect to the patterns of energy flow in which individuals are involved.
2007-08-17
0708.2244
Volkan Sevim
Volkan Sevim, Per Arne Rikvold
Unbiased Random Threshold Networks Are Chaotic or Critical
null
null
null
null
cond-mat.dis-nn cond-mat.stat-mech nlin.CG q-bio.MN
null
This paper has been withdrawn.
2008-05-08
0708.2294
Maria A. Avino-Diaz
Maria A. Avino-Diaz
A probabilistic regulatory network for the human immune system
9 pages
null
null
null
q-bio.CB q-bio.BM
null
In this paper we made a review of some papers about probabilistic regulatory networks (PRN), in particular we introduce our concept of homomorphisms of PRN with an example of projection of a regulatory network to a smaller one. We apply the model PRN (or Probabilistic Boolean Network) to the immune system, the PRN works with two functions. The model called ""The B/T-cells interaction"" is Boolean, so we are really working with a Probabilistic Boolean Network. Using Markov Chains we determine the state of equilibrium of the immune response.
2007-08-20
0708.2308
Takahiro Harada
Tomomi Yokogawa and Takahiro Harada
Intermittent dynamics and 1/f^beta noise in single cardiac muscle cells
5 pages, 5 figures
null
null
null
q-bio.CB
null
Fluctuations in the spontaneous beating activity of isolated cardiac cells were studied over a timescale of six decades. The beat dynamics of single cardiac cells were heterogeneous and intermittent. The interbeat intervals (IBIs) were power-law distributed in a long-time regime. Furthermore, for long timescales up to the experimental window, the autocorrelation of IBIs exhibits a scaling behavior of 1/f^beta-noise type. These observations suggest that 1/f^beta noise is an intrinsic characteristic of spontaneous activity of single cardiac cells.
2007-08-20
0708.2384
Indranil Mitra Mr
Indranil Mitra, Sisir Roy, Gary Hastings
Co-operativity in neurons and the role of noise in brain
12 Pages, Updated Version, SPIE 2007 Conference
null
null
null
q-bio.NC q-bio.QM
null
In view of some recent results in case of the dopaminergic neurons exhibiting long range correlations in VTA of the limbic brain we are interested to find out whether any stochastic nonlinear response may be reproducible in the nano scales usimg the results of quantum mechanics. We have developed a scheme to investigate this situation in this paper by taking into consideration the Schrodinger equation (SE) in an arbitrary manifold with a metric, which is in some sense a special case of the heat kernel equation. The special case of this heat kernel equation is the diffusion equation, which may reproduce some key phenomena of the neural activities. We make a dual equivalent circuit model of SE and incorporate non commutativity and noise inside the circuit scheme. The behaviour of the circuit elements with interesting limits are investigated. The most bizarre part is the long range response of the model by dint of the Central Limit Theorem, which is responsible for coherent behaviour of a large assembly of neurons.
2007-08-20
0708.2421
Sergei Maslov
Sergei Maslov, I. Ispolatov
Propagation of large concentration changes in reversible protein binding networks
5 pages, 7 figures
Proc Nat Acad Sci U S A 104(34): 13655-13660 (2007)
10.1073/pnas.0702905104
null
q-bio.MN q-bio.BM
null
We study how the dynamic equilibrium of the reversible protein-protein binding network in yeast Saccharomyces cerevisiae responds to large changes in abundances of individual proteins. The magnitude of shifts between free and bound concentrations of their immediate and more distant neighbors in the network is influenced by such factors as the network topology, the distribution of protein concentrations among its nodes, and the average binding strength. Our primary conclusion is that, on average, the effects of a perturbation are strongly localized and exponentially decay with the network distance away from the perturbed node, which explains why, despite globally connected topology, individual functional modules in such networks are able to operate fairly independently. We also found that under specific favorable conditions, realized in a significant number of paths in the yeast network, concentration perturbations can selectively propagate over considerable network distances (up to four steps). Such "action-at-a-distance" requires high concentrations of heterodimers along the path as well as low free (unbound) concentration of intermediate proteins.
2007-08-20
0708.2452
Nicholas Licata
Nicholas A. Licata and Alexei V. Tkachenko
Kinetic limitations of cooperativity based drug delivery systems
4 pages, 4 figures, v3: minor revisions
null
10.1103/PhysRevLett.100.158102
null
cond-mat.soft q-bio.CB
null
We study theoretically a novel drug delivery system that utilizes the overexpression of certain proteins in cancerous cells for cell specific chemotherapy. The system consists of dendrimers conjugated with "keys" (ex: folic acid) which "key-lock" bind to particular cell membrane proteins (ex: folate receptor). The increased concentration of "locks" on the surface leads to a longer residence time for the dendrimer and greater incorporation into the cell. Cooperative binding of the nanocomplexes leads to an enhancement of cell specificity. However, both our theory and detailed analysis of in-vitro experiments indicate that the degree of cooperativity is kinetically limited. We demonstrate that cooperativity and hence the specificity to particular cell type can be increased by making the strength of individual bonds weaker, and suggest a particular implementation of this idea. The implications of the work for optimizing the design of drug delivery vehicles are discussed.
2009-11-13
0708.2527
Ping Xie
Ping Xie
Model for processive nucleotide and repeat additions by the telomerase
28 pages, 5 figures
null
null
null
q-bio.BM
null
A model is presented to describe the nucleotide and repeat addition processivity by the telomerase. In the model, the processive nucleotide addition is implemented on the basis of two requirements: One is that stem IV loop stimulates the chemical reaction of nucleotide incorporation, and the other one is the existence of an ssRNA-binding site adjacent to the polymerase site that has a high affinity for the unpaired base of the template. The unpairing of DNA:RNA hybrid after the incorporation of the nucleotide paired with the last base on the template, which is the prerequisite for repeat addition processivity, is caused by a force acting on the primer. The force is resulted from the unfolding of stem III pseudoknot that is induced by the swinging of stem IV loop towards the nucleotide-bound polymerase site. Based on the model, the dynamics of processive nucleotide and repeat additions by Tetrahymena telomerase are quantitatively studied, which give good explanations to the previous experimental results. Moreover, some predictions are presented. In particular, it is predicted that the repeat addition processivity is mainly determined by the difference between the free energy required to disrupt the DNA:RNA hybrid and that required to unfold the stem III pseudoknot, with the large difference corresponding to a low repeat addition processivity while the small one corresponding to a high repeat addition processivity.
2007-08-21
0708.2594
Michel Salzet
M. Salzet (NA)
Molecular Aspect of Annelid Neuroendocrine system
null
Invertebrate Neuropeptides and Hormones: Basic Knowledge and Recent Advances, Transworld Research Network (Ed.) (2007) 19
null
null
q-bio.NC
null
Hormonal processes along with enzymatic processing similar to that found in vertebrates occur in annelids. Amino acid sequence determination of annelids precursor gene products reveals the presence of the respective peptides that exhibit high sequence identity to their mammalian counterparts. Furthermore, these neuropeptides exert similar physiological function in annelids than the ones found in vertebrates. In this respect, the high conservation in course of evolution of these molecules families reflects their importance. Nevertheless, some specific neuropeptides to annelids or invertebrates have also been in these animals.
2007-08-21
0708.2647
David Hochberg
David Hochberg and Maria-Paz Zorzano
Mirror symmetry breaking as a problem in dynamical critical phenomena
9 pages, 3 figures
Physical Review E76, 021109 (2007)
10.1103/PhysRevE.76.021109
null
q-bio.PE cond-mat.stat-mech
null
The critical properties of the Frank model of spontaneous chiral synthesis are discussed by applying results from the field theoretic renormalization group (RG). The long time and long wavelength features of this microscopic reaction scheme belong to the same universality class as multi-colored directed percolation processes. Thus, the following RG fixed points (FP) govern the critical dynamics of the Frank model for d<4: one unstable FP that corresponds to complete decoupling between the two enantiomers, a saddle-point that corresponds to symmetric interspecies coupling, and two stable FPs that individually correspond to unidirectional couplings between the two chiral molecules. These latter two FPs are associated with the breakdown of mirror or chiral symmetry. In this simplified model of molecular synthesis, homochirality is a natural consequence of the intrinsic reaction noise in the critical regime, which corresponds to extremely dilute chemical systems.
2007-08-23
0708.2707
Peter Csermely
Shijun Wang, Mate S. Szalay, Changshui Zhang, Peter Csermely
Learning and innovative elements of strategy adoption rules expand cooperative network topologies
14 pages, 3 Figures + a Supplementary Material with 25 pages, 3 Tables, 12 Figures and 116 references
PLoS ONE 3, e1917 (2008)
10.1371/journal.pone.0001917
null
q-bio.MN cond-mat.dis-nn nlin.AO physics.bio-ph
null
Cooperation plays a key role in the evolution of complex systems. However, the level of cooperation extensively varies with the topology of agent networks in the widely used models of repeated games. Here we show that cooperation remains rather stable by applying the reinforcement learning strategy adoption rule, Q-learning on a variety of random, regular, small-word, scale-free and modular network models in repeated, multi-agent Prisoners Dilemma and Hawk-Dove games. Furthermore, we found that using the above model systems other long-term learning strategy adoption rules also promote cooperation, while introducing a low level of noise (as a model of innovation) to the strategy adoption rules makes the level of cooperation less dependent on the actual network topology. Our results demonstrate that long-term learning and random elements in the strategy adoption rules, when acting together, extend the range of network topologies enabling the development of cooperation at a wider range of costs and temptations. These results suggest that a balanced duo of learning and innovation may help to preserve cooperation during the re-organization of real-world networks, and may play a prominent role in the evolution of self-organizing, complex systems.
2012-03-01
0708.2724
Michael Zwolak
Michael Zwolak, Massimiliano Di Ventra
Physical approaches to DNA sequencing and detection
26 pages, 22 figures
Rev. Mod. Phys. 80, 141 (2008)
10.1103/RevModPhys.80.141
LAUR-07-5650
physics.bio-ph cond-mat.soft q-bio.BM
null
With the continued improvement of sequencing technologies, the prospect of genome-based medicine is now at the forefront of scientific research. To realize this potential, however, we need a revolutionary sequencing method for the cost-effective and rapid interrogation of individual genomes. This capability is likely to be provided by a physical approach to probing DNA at the single nucleotide level. This is in sharp contrast to current techniques and instruments which probe, through chemical elongation, electrophoresis, and optical detection, length differences and terminating bases of strands of DNA. In this Colloquium we review several physical approaches to DNA detection that have the potential to deliver fast and low-cost sequencing. Center-fold to these approaches is the concept of nanochannels or nanopores which allow for the spatial confinement of DNA molecules. In addition to their possible impact in medicine and biology, the methods offer ideal test beds to study open scientific issues and challenges in the relatively unexplored area at the interface between solids, liquids, and biomolecules at the nanometer length scale. We emphasize the physics behind these methods and ideas, critically describe their advantages and drawbacks, and discuss future research opportunities in this field.
2008-01-03
0708.2931
Douglas Galvao
Fernando Sato, Scheila F. Braga, Helio F. dos Santos, and Douglas S. Galvao
Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology
18 pages, 8 figures
null
null
null
q-bio.BM physics.bio-ph
null
Tetracyclines are an old class of molecules that constitute a broad-spectrum antibiotics. Since the first member of tetracycline family were isolated, the clinical importance of these compounds as therapeutic and prophylactic agents against a wide range of infections has stimulated efforts to define their mode of action as inhibitors of bacterial reproduction. We used three SAR methodologies for the analysis of biological activity of a set of 104 tetracycline compounds. Our calculation were carried out using the semi-empirical Austin Method One (AM1) and Parametric Method 3 (PM3). Electronic Indices Methodology (EIM), Principal Component Analysis (PCA) and Artificial Neural Networks (ANN) were applied to the classification of 14 old and 90 new proposed derivatives of tetracyclines. Our results make evident the importance of EIM descriptors in pattern recognition and also show that the EIM can be effectively used to predict the biological activity of Tetracyclines.
2007-09-13
0708.2953
David K. Lubensky
David K. Lubensky
Equilibrium-like behavior in far-from-equilibrium chemical reaction networks
5 pages, 2 figures; brief discussion of non-mass-action kinetics added
null
10.1103/PhysRevE.81.060102
null
cond-mat.stat-mech cond-mat.soft q-bio.MN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
In an equilibrium chemical reaction mixture, the number of molecules present obeys a Poisson distribution. We ask when the same is true of the steady state of a nonequilibrium reaction network and obtain an essentially complete answer. In particular, we show that networks with certain topological features must have a Poisson distribution, whatever the reaction rates. Such driven systems also obey an analog of the fluctuation-dissipation theorem. Our results may be relevant to biological systems and to the larger question of how equilibrium concepts might apply to nonequilibrium systems.
2013-05-29
0708.2971
Filippo Petroni
Maurizio Serva and Filippo Petroni
Indo-European languages tree by Levenshtein distance
null
null
10.1209/0295-5075/81/68005
null
physics.soc-ph physics.data-an q-bio.PE
null
The evolution of languages closely resembles the evolution of haploid organisms. This similarity has been recently exploited \cite{GA,GJ} to construct language trees. The key point is the definition of a distance among all pairs of languages which is the analogous of a genetic distance. Many methods have been proposed to define these distances, one of this, used by glottochronology, compute distance from the percentage of shared ``cognates''. Cognates are words inferred to have a common historical origin, and subjective judgment plays a relevant role in the identification process. Here we push closer the analogy with evolutionary biology and we introduce a genetic distance among language pairs by considering a renormalized Levenshtein distance among words with same meaning and averaging on all the words contained in a Swadesh list \cite{Sw}. The subjectivity of process is consistently reduced and the reproducibility is highly facilitated. We test our method against the Indo-European group considering fifty different languages and the two hundred words of the Swadesh list for any of them. We find out a tree which closely resembles the one published in \cite{GA} with some significant differences.
2009-11-13
0708.3061
Kevin Lin
Kevin K. Lin, Eric Shea-Brown, Lai-Sang Young
Reliability of Coupled Oscillators I: Two-Oscillator Systems
Part 1 of 2. Part 2 can be found at 0708.3063
null
null
null
nlin.CD q-bio.NC
null
This paper concerns the reliability of a pair of coupled oscillators in response to fluctuating inputs. Reliability means that an input elicits essentially identical responses upon repeated presentations regardless of the network's initial condition. Our main result is that both reliable and unreliable behaviors occur in this network for broad ranges of coupling strengths, even though individual oscillators are always reliable when uncoupled. A new finding is that at low input amplitudes, the system is highly susceptible to unreliable responses when the feedforward and feedback couplings are roughly comparable. A geometric explanation based on shear-induced chaos at the onset of phase-locking is proposed.
2007-08-23
0708.3063
Kevin Lin
Kevin K. Lin, Eric Shea-Brown, Lai-Sang Young
Reliability of Coupled Oscillators II: Larger Networks
Part 2 of 2. Part 1 can be found at 0708.3061
null
null
null
nlin.CD q-bio.NC
null
We study the reliability of phase oscillator networks in response to fluctuating inputs. Reliability means that an input elicits essentially identical responses upon repeated presentations, regardless of the network's initial condition. In this paper, we extend previous results on two-cell networks to larger systems. The first issue that arises is chaos in the absence of inputs, which we demonstrate and interpret in terms of reliability. We give a mathematical analysis of networks that can be decomposed into modules connected by an acyclic graph. For this class of networks, we show how to localize the source of unreliability, and address questions concerning downstream propagation of unreliability once it is produced.
2007-08-23
0708.3096
Cynthia J. Olson Reichhardt
M. B. Wan, C. J. Olson Reichhardt, Z. Nussinov and C. Reichhardt
Rectification of Swimming Bacteria and Self Driven Particle Systems by Arrays of Asymmetric Barriers
4 pages, 4 postscript figures. Version to appear in Phys. Rev. Lett
Phys. Rev. Lett. 101, 018102 (2008)
10.1103/PhysRevLett.101.018102
null
cond-mat.soft cond-mat.stat-mech q-bio.CB
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We show that the recent experimental observation of the rectification of swimming bacteria in a system with an array of asymmetric barriers occurs due to the ballistic component of the bacteria trajectories introduced by the bacterial "motor." Each bacteria selects a random direction for motion and then moves in this direction for a fixed period of time before randomly changing its orientation and moving in a new direction. In the limit where the bacteria undergo only Brownian motion, rectification by the barriers does not occur. We also examine the effects of steric interactions between the bacteria and observe a clogging effect upon increasing the bacteria density.
2009-11-13
0708.3098
Sourav Chatterji
Sourav Chatterji, Ichitaro Yamazaki, Zhaojun Bai and Jonathan Eisen
CompostBin: A DNA composition-based algorithm for binning environmental shotgun reads
null
null
null
null
q-bio.GN
null
A major hindrance to studies of microbial diversity has been that the vast majority of microbes cannot be cultured in the laboratory and thus are not amenable to traditional methods of characterization. Environmental shotgun sequencing (ESS) overcomes this hurdle by sequencing the DNA from the organisms present in a microbial community. The interpretation of this metagenomic data can be greatly facilitated by associating every sequence read with its source organism. We report the development of CompostBin, a DNA composition-based algorithm for analyzing metagenomic sequence reads and distributing them into taxon-specific bins. Unlike previous methods that seek to bin assembled contigs and often require training on known reference genomes, CompostBin has the ability to accurately bin raw sequence reads without need for assembly or training. It applies principal component analysis to project the data into an informative lower-dimensional space, and then uses the normalized cut clustering algorithm on this filtered data set to classify sequences into taxon-specific bins. We demonstrate the algorithm's accuracy on a variety of simulated data sets and on one metagenomic data set with known species assignments. CompostBin is a work in progress, with several refinements of the algorithm planned for the future.
2007-08-24
0708.3103
Karen Luz Burgoa K. Luz-Burgoa
K. Luz-Burgoa, S. Moss de Oliveira and J. S. Sa Martins
Computer simulations on the sympatric speciation modes for the Midas cichlid species complex
6 pages and 8 figures. Submitted
null
null
null
q-bio.PE
null
Cichlid fishes are one of the best model system for the study of evolution of the species. Inspired by them, in this paper we simulated the splitting of a single species into two separate ones via random mutations, with both populations living together in sympatry, sharing the same habitat. We study the ecological, mating and genetic conditions needed to reproduce the polychromatism and polymorphism of three species of the Midas Cichlid species complex. Our results show two scenarios for the A. Citrinellus speciation process, one with and the other without disruptive natural selection. In the first scenario, the ecological and genetic conditions are sufficient to create two new species, while in the second the mating and genetic conditions must be synchronized in order to control the velocity of genetic drift.
2007-08-24
0708.3134
Emma Jin
Emma Y. Jin and Christian M. Reidys
Pseudoknot RNA Structures with Arc-Length $\ge 3$
18 pages, 4 figures
null
null
null
math.CO q-bio.BM
null
In this paper we study $k$-noncrossing RNA structures with arc-length $\ge 3$, i.e. RNA molecules in which for any $i$, the nucleotides labeled $i$ and $i+j$ ($j=1,2$) cannot form a bond and in which there are at most $k-1$ mutually crossing arcs. Let ${\sf S}_{k,3}(n)$ denote their number. Based on a novel functional equation for the generating function $\sum_{n\ge 0}{\sf S}_{k,3}(n)z^n$, we derive for arbitrary $k\ge 3$ exponential growth factors and for $k=3$ the subexponential factor. Our main result is the derivation of the formula ${\sf S}_{3,3}(n) \sim \frac{6.11170\cdot 4!}{n(n-1)...(n-4)} 4.54920^n$.
2007-08-24
0708.3163
Pierre-Henri Chavanis
Pierre-Henri Chavanis and Clement Sire
Jeans type analysis of chemotactic collapse
null
Physica A, 387, 4033 (2008)
10.1016/j.physa.2008.02.025
null
physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We perform a linear dynamical stability analysis of a general hydrodynamic model of chemotactic aggregation [Chavanis & Sire, Physica A, in press (2007)]. Specifically, we study the stability of an infinite and homogeneous distribution of cells against "chemotactic collapse". We discuss the analogy between the chemotactic collapse of biological populations and the gravitational collapse (Jeans instability) of self-gravitating systems. Our hydrodynamic model involves a pressure force which can take into account several effects like anomalous diffusion or the fact that the organisms cannot interpenetrate. We also take into account the degradation of the chemical which leads to a shielding of the interaction like for a Yukawa potential. Finally, our hydrodynamic model involves a friction force which quantifies the importance of inertial effects. In the strong friction limit, we obtain a generalized Keller-Segel model similar to the generalized Smoluchowski-Poisson system describing self-gravitating Langevin particles. For small frictions, we obtain a hydrodynamic model of chemotaxis similar to the Euler-Poisson system describing a self-gravitating barotropic gas. We show that an infinite and homogeneous distribution of cells is unstable against chemotactic collapse when the "velocity of sound" in the medium is smaller than a critical value. We study in detail the linear development of the instability and determine the range of unstable wavelengths, the growth rate of the unstable modes and the damping rate, or the pulsation frequency, of the stable modes as a function of the friction parameter and shielding length. For specific equations of state, we express the stability criterion in terms of the density of cells.
2009-11-13
0708.3171
Bhaswar Ghosh
Indrani Bose and Bhaswar Ghosh
The p53-MDM2 network: from oscillations to apoptosis
null
null
null
null
q-bio.MN
null
The p53 protein is well-known for its tumour suppressor function. The p53-MDM2 negative feedback loop constitutes the core module of a network of regulatory interactions activated under cellular stress. In normal cells, the level of p53 proteins is kept low by MDM2, i.e. MDM2 negatively regulates the activity of p53. In the case of DNA damage,the p53-mediated pathways are activated leading to cell cycle arrest and repair of the DNA. If repair is not possible due to excessive damage, the p53-mediated apoptotic pathway is activated bringing about cell death. In this paper, we give an overview of our studies on the p53-MDM2 module and the associated pathways from a systems biology perspective. We discuss a number of key predictions, related to some specific aspects of cell cycle arrest and cell death, which could be tested in experiments.
2007-08-24
0708.3181
Rudolf A. Roemer
Chi-Tin Shih, Stephan Roche, Rudolf A. R\"omer
Point Mutations Effects on Charge Transport Properties of the Tumor-Suppressor Gene p53
4.1 PR style pages with 5 figures included
Phys. Rev. Lett. 100, 018105 (2008)
10.1103/PhysRevLett.100.018105
null
q-bio.GN cond-mat.soft q-bio.QM
null
We report on a theoretical study of point mutations effects on charge transfer properties in the DNA sequence of the tumor-suppressor p53 gene. On the basis of effective single-strand or double-strand tight-binding models which simulate hole propagation along the DNA, a statistical analysis of charge transmission modulations associated with all possible point mutations is performed. We find that in contrast to non-cancerous mutations, mutation hotspots tend to result in significantly weaker {\em changes of transmission properties}. This suggests that charge transport could play a significant role for DNA-repairing deficiency yielding carcinogenesis.
2008-01-09
0708.3271
T. R. Krishna Mohan
T. R. Krishna Mohan
Simulation of Spread and Control of Lesions in Brain
5 pages, 3 postscript figures, submitted for publication
null
null
null
physics.bio-ph physics.comp-ph q-bio.NC
null
A simulation model for the spread and control of lesions in the brain is constructed using a planar network (graph) representation for the Central Nervous System (CNS). The model is inspired by the lesion structures observed in the case of Multiple Sclerosis (MS), a chronic disease of the CNS. The initial lesion site is at the center of a unit square and spreads outwards based on the success rate in damaging edges (axons) of the network. The damaged edges send out alarm signals which, at appropriate intensity levels, generate programmed cell death. Depending on the extent and timing of the programmed cell death, the lesion may get controlled or aggravated akin to the control of wild fires by burning of peripheral vegetation. The parameter phase space of the model shows smooth transition from uncontrolled situation to controlled situation. The simulations show that the model is capable of generating a wide variety of lesion growth and arrest scenarios.
2007-08-27
0708.3336
James Rice Dr
James H. Rice
Far-field fluorescence microscopy beyond the diffraction limit: Fluorescence imaging with ultrahigh resolution
27 pages, 2 figures, 2 tables, review of devlopments in super resolution fluorescence microscopy
null
null
null
physics.bio-ph
null
Fluorescence microscopy is an important and extensively utilised tool for imaging biological systems. However, the image resolution that can be obtained has a limit as defined through the laws of diffraction. Demand for improved resolution has stimulated research into developing methods to image beyond the diffraction limit based on far-field fluorescence microscopy techniques. Rapid progress is being made in this area of science with methods emerging that enable fluorescence imaging in the far-field to possess a resolution well beyond the diffraction limit. This review outlines developments in far-field fluorescence methods which enable ultrahigh resolution imaging and application of these techniques to biology. Future possible trends and directions in far-field fluorescence imaging with ultrahigh resolution are also outlined.
2007-08-27
0708.3499
Francesc Rossell\'o
Gabriel Cardona, Francesc Rossello, Gabriel Valiente
Comparison of Tree-Child Phylogenetic Networks
37 pages
null
null
null
q-bio.PE cs.CE cs.DM
null
Phylogenetic networks are a generalization of phylogenetic trees that allow for the representation of non-treelike evolutionary events, like recombination, hybridization, or lateral gene transfer. In this paper, we present and study a new class of phylogenetic networks, called tree-child phylogenetic networks, where every non-extant species has some descendant through mutation. We provide an injective representation of these networks as multisets of vectors of natural numbers, their path multiplicity vectors, and we use this representation to define a distance on this class and to give an alignment method for pairs of these networks. To the best of our knowledge, they are respectively the first true distance and the first alignment method defined on a meaningful class of phylogenetic networks strictly extending the class of phylogenetic trees. Simple, polynomial algorithms for reconstructing a tree-child phylogenetic network from its path multiplicity vectors, for computing the distance between two tree-child phylogenetic networks, and for aligning a pair of tree-child phylogenetic networks, are provided, and they have been implemented as a Perl package and a Java applet, and they are available at http://bioinfo.uib.es/~recerca/phylonetworks/mudistance
2007-08-28
0708.3502
Dietrich Stauffer
D. Stauffer and S. Moss de Oliveira
Child mortality in Penna ageing model
To pages including one figure
null
null
null
q-bio.PE
null
Assuming the deleterious mutations in the Penna ageing model to affect mainly the young ages, we get an enhanced mortality at very young age, followed by a minimum of the mortality, and then the usual exponential increase of mortality with age.
2007-08-28
0708.3509
Vahid Rezania
Vahid Rezania and Jack Tuszynski
Modeling polymerization of microtubules: a quantum mechanical approach
19 pages, 1 figure
Physica A, Vol. 387, 5795 - 5809 (2008)
null
null
q-bio.BM cond-mat.stat-mech q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
In this paper a quantum mechanical description of the assembly/disassembly process for microtubules is proposed. We introduce creation and annihilation operators that raise or lower the microtubule length by a tubulin layer. Following that, the Hamiltonian and corresponding equations of motion for the quantum fields are derived that describe the dynamics of microtubules. These Heisenberg-type equations are then transformed to semi-classical equations using the method of coherent structures. We find that the dynamics of a microtubule can be mathematically expressed via a cubic-quintic nonlinear Schr\"{o}dinger (NLS) equation. We show that a vortex filament, a generic solution of the NLS equation, exhibits linear growth/shrinkage in time as well as temporal fluctuations about some mean value which is qualitatively similar to the dynamic instability of microtubules.
2008-10-22
0708.3599
Siebe van Albada
Siebe B. van Albada and Pieter Rein ten Wolde
Enzyme localization can drastically affect signal amplification in signal transduction pathways
PLoS Comp Biol, in press. 32 pages including 6 figures and supporting information
null
10.1371/journal.pcbi.0030195.eor
null
q-bio.MN
null
Push-pull networks are ubiquitous in signal transduction pathways in both prokaryotic and eukaryotic cells. They allow cells to strongly amplify signals via the mechanism of zero-order ultrasensitivity. In a push-pull network, two antagonistic enzymes control the activity of a protein by covalent modification. These enzymes are often uniformly distributed in the cytoplasm. They can, however, also be colocalized in space, for instance, near the pole of the cell. Moreover, it is increasingly recognized that these enzymes can also be spatially separated, leading to gradients of the active form of the messenger protein. Here, we investigate the consequences of the spatial distributions of the enzymes for the amplification properties of push-pull networks. Our calculations reveal that enzyme localization by itself can have a dramatic effect on the gain. The gain is maximized when the two enzymes are either uniformly distributed or colocalized in one region in the cell. Depending on the diffusion constants, however, the sharpness of the response can be strongly reduced when the enzymes are spatially separated. We discuss how our predictions could be tested experimentally.
2007-08-28
0708.3627
Walter Nadler
Walter Nadler, Ulrich H. E. Hansmann
Optimizing Replica Exchange Moves For Molecular Dynamics
4 pages, 3 figures; revised version (1 figure added), PRE in press
null
10.1103/PhysRevE.76.057102
null
q-bio.QM cond-mat.stat-mech physics.comp-ph q-bio.BM
null
In this short note we sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations as well as new applications of the method.
2009-11-13
0708.3739
Andrea Corsi
P. D. Gujrati, Bradley P. Lambeth Jr, Andrea Corsi and Evan Askanazi
Exact Statistical Mechanical Investigation of a Finite Model Protein in its environment: A Small System Paradigm
null
null
null
UATP/07-03
cond-mat.stat-mech q-bio.BM
null
We consider a general incompressible finite model protein of size M in its environment, which we represent by a semiflexible copolymer consisting of amino acid residues classified into only two species (H and P, see text) following Lau and Dill. We allow various interactions between chemically unbonded residues in a given sequence and the solvent (water), and exactly enumerate the number of conformations W(E) as a function of the energy E on an infinite lattice under two different conditions: (i) we allow conformations that are restricted to be compact (known as Hamilton walk conformations), and (ii) we allow unrestricted conformations that can also be non-compact. It is easily demonstrated using plausible arguments that our model does not possess any energy gap even though it is supposed to exhibit a sharp folding transition in the thermodynamic limit. The enumeration allows us to investigate exactly the effects of energetics on the native state(s), and the effect of small size on protein thermodynamics and, in particular, on the differences between the microcanonical and canonical ensembles. We find that the canonical entropy is much larger than the microcanonical entropy for finite systems. We investigate the property of self-averaging and conclude that small proteins do not self-average. We also present results that (i) provide some understanding of the energy landscape, and (ii) shed light on the free energy landscape at different temperatures.
2008-01-16
0708.3825
Ana Nunes
M. Sim\~oes, M. M. Telo da Gama and A. Nunes
Stochastic Fluctuations in Epidemics on Networks
29 pages, 8 figures
null
null
null
q-bio.PE
null
The effects of demographic stochasticity in the long term behaviour of endemic infectious diseases have been considered for long as a necessary addition to an underlying deterministic theory. The latter would explain the regular behaviour of recurrent epidemics, and the former the superimposed noise of observed incidence patterns. Recently, a stochastic theory based on a mechanism of resonance with internal noise has shifted the role of stochasticity closer to the center stage, by showing that the major dynamic patterns found in the incidence data can be explained as resonant fluctuations, whose behaviour is largely independent of the amplitude of seasonal forcing, and by contrast very sensitive to the basic epidemiological parameters. Here we elaborate on that approach, by adding an ingredient which is missing in standard epidemic models, the 'mixing network' through which infection may propagate. We find that spatial correlations have a major effect in the enhancement of the amplitude and the coherence of the resonant stochastic fluctuations, providing the ordered patterns of recurrent epidemics, whose period may differ significantly from that of the small oscillations around the deterministic equilibrium. We also show that the inclusion of a more realistic, time correlated, recovery profile instead of exponentially distributed infectious periods may, even in the random-mixing limit, contribute to the same effect.
2007-08-29
0708.3869
Guy Katriel
Guy Katriel
Existence of periodic solutions for enzyme-catalysed reactions with periodic substrate input
null
Discrete & Continuous Dynamical Systems - Supplements, September 2007
null
null
q-bio.BM nlin.AO
null
Considering a basic enzyme-catalysed reaction, in which the rate of input of the substrate varies periodically in time, we give a necessary and sufficient condition for the existence of a periodic solution of the reaction equations. The proof employs the Leray-Schauder degree, applied to an appropriately constructed homotopy.
2011-11-10
0708.3910
Michael B\"orsch
N. Zarrabi, M. G. Dueser, S. Ernst, R. Reuter, G. D. Glick, S. D. Dunn, J. Wrachtrup, M. Boersch
Monitoring the rotary motors of single FoF1-ATP synthase by synchronized multi channel TCSPC
12 pages, 9 figures
null
10.1117/12.734301
null
physics.bio-ph
null
Confocal time resolved single-molecule spectroscopy using pulsed laser excitation and synchronized multi channel time correlated single photon counting (TCSPC) provides detailed information about the conformational changes of a biological motor in real time. We studied the formation of adenosine triphosphate, ATP, from ADP and phosphate by FoF1-ATP synthase. The reaction is performed by a stepwise internal rotation of subunits of the lipid membrane-embedded enzyme. Using fluorescence resonance energy transfer, FRET, we detected rotation of this biological motor by sequential changes of intramolecular distances within a single FoF1-ATP synthase. Prolonged observation times of single enzymes were achieved by functional immobilization to the glass surface. The stepwise rotary subunit movements were identified by Hidden Markov Models (HMM) which were trained with single-molecule FRET trajectories. To improve the accuracy of the HMM analysis we included the single-molecule fluorescence lifetime of the FRET donor and used alternating laser excitation to co-localize the FRET acceptor independently within a photon burst. The HMM analysis yielded the orientations and dwell times of rotary subunits during stepwise rotation. In addition, the action mode of bactericidal drugs, i.e. inhibitors of FoF1-ATP synthase like aurovertin, could be investigated by the time resolved single-molecule FRET approach.
2009-11-13
0708.4011
Ralph Scheicher
Haiying He, Ralph H. Scheicher, Ravindra Pandey, Alexandre Reily Rocha, Stefano Sanvito, Anton Grigoriev, Rajeev Ahuja, Shashi P. Karna
Functionalized nanopore-embedded electrodes for rapid DNA sequencing
12 pages, 5 figures
J. Phys. Chem. C, 112 (10), 3456 -3459, 2008.
10.1021/jp7115142
null
physics.bio-ph cond-mat.soft q-bio.BM
null
The determination of a patient's DNA sequence can, in principle, reveal an increased risk to fall ill with particular diseases [1,2] and help to design "personalized medicine" [3]. Moreover, statistical studies and comparison of genomes [4] of a large number of individuals are crucial for the analysis of mutations [5] and hereditary diseases, paving the way to preventive medicine [6]. DNA sequencing is, however, currently still a vastly time-consuming and very expensive task [4], consisting of pre-processing steps, the actual sequencing using the Sanger method, and post-processing in the form of data analysis [7]. Here we propose a new approach that relies on functionalized nanopore-embedded electrodes to achieve an unambiguous distinction of the four nucleic acid bases in the DNA sequencing process. This represents a significant improvement over previously studied designs [8,9] which cannot reliably distinguish all four bases of DNA. The transport properties of the setup investigated by us, employing state-of-the-art density functional theory together with the non-equilibrium Green's Function method, leads to current responses that differ by at least one order of magnitude for different bases and can thus provide a much more robust read-out of the base sequence. The implementation of our proposed setup could thus lead to a viable protocol for rapid DNA sequencing with significant consequences for the future of genome related research in particular and health care in general.
2008-03-06
0708.4065
Manoj Gopalakrishnan
Shivam Ghosh (St.Stephens College, Delhi), Manoj Gopalakrishnan (HRI, Allahabad), Kimberly Forsten-Williams (Virginia Tech)
Self-consistent theory of reversible ligand binding to a spherical cell
23 pages with 4 figures
Phys. Biol. 4 344-354 (2007)
10.1088/1478-3975/4/4/010
null
q-bio.SC cond-mat.stat-mech q-bio.QM
null
In this article, we study the kinetics of reversible ligand binding to receptors on a spherical cell surface using a self-consistent stochastic theory. Binding, dissociation, diffusion and rebinding of ligands are incorporated into the theory in a systematic manner. We derive explicitly the time evolution of the ligand-bound receptor fraction p(t) in various regimes . Contrary to the commonly accepted view, we find that the well-known Berg-Purcell scaling for the association rate is modified as a function of time. Specifically, the effective on-rate changes non-monotonically as a function of time and equals the intrinsic rate at very early as well as late times, while being approximately equal to the Berg-Purcell value at intermediate times. The effective dissociation rate, as it appears in the binding curve or measured in a dissociation experiment, is strongly modified by rebinding events and assumes the Berg-Purcell value except at very late times, where the decay is algebraic and not exponential. In equilibrium, the ligand concentration everywhere in the solution is the same and equals its spatial mean, thus ensuring that there is no depletion in the vicinity of the cell. Implications of our results for binding experiments and numerical simulations of ligand-receptor systems are also discussed.
2009-11-13
0708.4212
Frank Schweitzer
Adrian M. Seufert, Frank Schweitzer
Aggregate Dynamics in an Evolutionary Network Model
null
International Journal of Modern Physics C, vol. 18, no. 10 (2007), pp. 1659-1674
10.1142/S0129183107011649
null
q-bio.PE nlin.AO q-bio.MN q-bio.QM
null
We analyze a model of interacting agents (e.g. prebiotic chemical species) which are represended by nodes of a network, whereas their interactions are mapped onto directed links between these nodes. On a fast time scale, each agent follows an eigendynamics based on catalytic support from other nodes, whereas on a much slower time scale the network evolves through selection and mutation of its nodes-agent. In the first part of the paper, we explain the dynamics of the model by means of characteristic snapshots of the network evolution and confirm earlier findings on crashes an recoveries in the network structure. In the second part, we focus on the aggregate behavior of the network dynamics. We show that the disruptions in the network structure are smoothed out, so that the average evolution can be described by a growth regime followed by a saturation regime, without an initial random regime. For the saturation regime, we obtain a logarithmic scaling between the average connectivity per node $\mean{l}_{s}$ and a parameter $m$, describing the average incoming connectivity, which is independent of the system size $N$.
2009-11-13
0709.0024
Miodrag Krmar
Vladan Pankovic, Nikola Vunduk, Milan Predojevic
Population Dynamics of Children and Adolescents without Problematic Behavior
two pages, no figures
null
null
null
q-bio.PE
null
In this work we suggest a simple mathematical model for the dynamics of the population of children and adolescents without problematic behavior (criminal activities etc.). This model represents a typical population growth equation but with time dependent (linearly decreasing) population growth coefficient. Given equation admits definition of the half-life time of the non-problematic children behavior as well as a criterion for estimation of the social regulation of the children behavior.
2007-09-04
0709.0025
Ping Ao
P Ao
Borges Dilemma, Fundamental Laws, and Systems Biology
4 pages
null
null
null
q-bio.QM q-bio.OT
null
I reason here that the known folk law in biology that there is no general law in biology because of exceptions is false. The (quantitative) systems biology offers the potential to solve the Borges Dilemma, by transcending it. There have already a plenty of indications on this trend.
2007-09-04
0709.0125
Mark Lipson
Mark Lipson (Harvard University)
Differential and graphical approaches to multistability theory for chemical reaction networks
28 pages, no figures
null
null
null
q-bio.MN q-bio.QM
null
The use of mathematical models has helped to shed light on countless phenomena in chemistry and biology. Often, though, one finds that systems of interest in these fields are dauntingly complex. In this paper, we attempt to synthesize and expand upon the body of mathematical results pertaining to the theory of multiple equilibria in chemical reaction networks (CRNs), which has yielded surprising insights with minimal computational effort. Our central focus is a recent, cycle-based theorem by Gheorghe Craciun and Martin Feinberg, which is of significant interest in its own right and also serves, in a somewhat restated form, as the basis for a number of fruitful connections among related results.
2007-09-04
0709.0217
Tobias Reichenbach
Tobias Reichenbach, Mauro Mobilia and Erwin Frey
Mobility promotes and jeopardizes biodiversity in rock-paper-scissors games
Final submitted version; the printed version can be found at http://dx.doi.org/10.1038/nature06095 Supplementary movies are available at http://www.theorie.physik.uni-muenchen.de/lsfrey/images_content/movie1.AVI and http://www.theorie.physik.uni-muenchen.de/lsfrey/images_content/movie2.AVI
Nature 448, 1046-1049 (2007)
10.1038/nature06095
LMU-ASC 62/07
q-bio.PE cond-mat.stat-mech physics.bio-ph
null
Biodiversity is essential to the viability of ecological systems. Species diversity in ecosystems is promoted by cyclic, non-hierarchical interactions among competing populations. Such non-transitive relations lead to an evolution with central features represented by the `rock-paper-scissors' game, where rock crushes scissors, scissors cut paper, and paper wraps rock. In combination with spatial dispersal of static populations, this type of competition results in the stable coexistence of all species and the long-term maintenance of biodiversity. However, population mobility is a central feature of real ecosystems: animals migrate, bacteria run and tumble. Here, we observe a critical influence of mobility on species diversity. When mobility exceeds a certain value, biodiversity is jeopardized and lost. In contrast, below this critical threshold all subpopulations coexist and an entanglement of travelling spiral waves forms in the course of temporal evolution. We establish that this phenomenon is robust, it does not depend on the details of cyclic competition or spatial environment. These findings have important implications for maintenance and evolution of ecological systems and are relevant for the formation and propagation of patterns in excitable media, such as chemical kinetics or epidemic outbreaks.
2008-04-09
0709.0218
Debprakash Patnaik
Debprakash Patnaik (Electrical Engg. Dept., Indian Institute of Science), P. S. Sastry (Electrical Engg. Dept., Indian Institute of Science), K. P. Unnikrishnan (General Motors R&D)
Inferring Neuronal Network Connectivity using Time-constrained Episodes
9 pages. See also http://neural-code.cs.vt.edu/
null
null
null
cs.DB q-bio.NC
null
Discovering frequent episodes in event sequences is an interesting data mining task. In this paper, we argue that this framework is very effective for analyzing multi-neuronal spike train data. Analyzing spike train data is an important problem in neuroscience though there are no data mining approaches reported for this. Motivated by this application, we introduce different temporal constraints on the occurrences of episodes. We present algorithms for discovering frequent episodes under temporal constraints. Through simulations, we show that our method is very effective for analyzing spike train data for unearthing underlying connectivity patterns.
2008-03-10
0709.0225
Jonas Cremer
Jonas Cremer, Tobias Reichenbach, Erwin Frey
Anomalous finite-size effects in the Battle of the Sexes
8 pages, 5 figures. To appear in the ECCS '07 issue, Eur. Phys. J. B (2008)
Eur. Phys. J. B 63, 373-380 (2008)
10.1140/epjb/e2008-00036-x
LMU-ASC 67/07
q-bio.PE cond-mat.stat-mech physics.bio-ph
null
The Battle of the Sexes describes asymmetric conflicts in mating behavior of males and females. Males can be philanderer or faithful, while females are either fast or coy, leading to a cyclic dynamics. The adjusted replicator equation predicts stable coexistence of all four strategies. In this situation, we consider the effects of fluctuations stemming from a finite population size. We show that they unavoidably lead to extinction of two strategies in the population. However, the typical time until extinction occurs strongly prolongs with increasing system size. In the meantime, a quasi-stationary probability distribution forms that is anomalously flat in the vicinity of the coexistence state. This behavior originates in a vanishing linear deterministic drift near the fixed point. We provide numerical data as well as an analytical approach to the mean extinction time and the quasi-stationary probability distribution.
2008-08-31
0709.0329
Anca Radulescu
Anca R. Radulescu
Schizophrenia - a parameters' game?
The manuscript is 23 pages long (14 pages of text and 9 of references). It contains five figures, two of which in color
null
null
null
q-bio.QM q-bio.TO
null
Schizophrenia is a severe, currently incurable, relatively common mental condition. Its symptoms are complex and widespread. It structurally and functionally affects cortical and subcortical regions involved in cognitive, emotional and motivational aspects of behavior. Its cause is unknown, its diagnosis is based on statistical behavior and its treatment is elusive. Our paradigm addresses the complexity of schizophrenic symptoms. Building upon recent neural vulnerability and limbic dysregulation hypotheses, it offers a mathematical model for the evolution of the limbic system under perturbation. Dependence on parameters and the concept of "bifurcation" could be the key to understanding the threshold between "normality" and "disease".
2007-09-05
0709.0346
Akira Kinjo
Akira R. Kinjo and Sanzo Miyazawa
On the optimal contact potential of proteins
5 pages, text only
Chemical Physics Letters, Vol. 451 pp. 132-135 (2008)
10.1016/j.cplett.2007.12.005
null
q-bio.BM physics.bio-ph physics.chem-ph
null
We analytically derive the lower bound of the total conformational energy of a protein structure by assuming that the total conformational energy is well approximated by the sum of sequence-dependent pairwise contact energies. The condition for the native structure achieving the lower bound leads to the contact energy matrix that is a scalar multiple of the native contact matrix, i.e., the so-called Go potential. We also derive spectral relations between contact matrix and energy matrix, and approximations related to one-dimensional protein structures. Implications for protein structure prediction are discussed.
2008-01-03
0709.0418
Antonio Siber
Antonio Siber and Rudolf Podgornik
Role of electrostatic interactions in the assembly of empty spherical viral capsids
Sent to publication
Phys. Rev. E 76, 061906 (2007)
10.1103/PhysRevE.76.061906
null
physics.bio-ph
null
We examine the role of electrostatic interactions in the assembly of empty spherical viral capsids. The charges on the protein subunits that make the viral capsid mutually interact and are expected to yield electrostatic repulsion acting against the assembly of capsids. Thus, attractive protein-protein interactions of non-electrostatic origin must act to enable the capsid formation. We investigate whether the interplay of repulsive electrostatic and attractive interactions between the protein subunits can result in the formation of spherical viral capsids of a preferred radius. For this to be the case, we find that the attractive interactions must depend on the angle between the neighboring protein subunits (i.e. on the mean curvature of the viral capsid) so that a particular angle(s) is (are) preferred energywise. Our results for the electrostatic contributions to energetics of viral capsids nicely correlate with recent experimental determinations of the energetics of protein-protein contacts in Hepatitis B virus [P. Ceres and A. Zlotnick, Biochemistry {\bf 41}, 11525 (2002).
2007-12-24
0709.0443
Diana Marco
D. E. Marco, S. A. Cannas, M. A. Montemurro, B. Hu and S. Cheng
Similar self-organizing scale-invariant properties characterize early cancer invasion and long range species spread
21 pages, 2 figures
Journal of Theoretical Biology 256: 65-75 (2008)
10.1016/j.jtbi.2008.09.011
null
q-bio.PE q-bio.CB
null
Occupancy of new habitats through dispersion is a central process in nature. In particular, long range dispersal is involved in the spread of species and epidemics, although it has not been previously related with cancer invasion, a process that involves spread to new tissues. We show that the early spread of cancer cells is similar to the species individuals spread and that both processes are represented by a common spatio-temporal signature, characterized by a particular fractal geometry of the boundaries of patches generated, and a power law-scaled, disrupted patch size distribution. We show that both properties are a direct result of long-distance dispersal, and that they reflect homologous ecological processes of population self-organization. Our results are significant for processes involving long-range dispersal like biological invasions, epidemics and cancer metastasis.
2009-02-16
0709.0531
John Rhodes
Elizabeth S. Allman, Cecile Ane, John A. Rhodes
Identifiability of a Markovian model of molecular evolution with Gamma-distributed rates
35 pages, 3 figures; Minor revisions and reformatting to reflect version to be published
null
null
null
math.ST q-bio.PE stat.TH
null
Inference of evolutionary trees and rates from biological sequences is commonly performed using continuous-time Markov models of character change. The Markov process evolves along an unknown tree while observations arise only from the tips of the tree. Rate heterogeneity is present in most real data sets and is accounted for by the use of flexible mixture models where each site is allowed its own rate. Very little has been rigorously established concerning the identifiability of the models currently in common use in data analysis, although non-identifiability was proven for a semi-parametric model and an incorrect proof of identifiability was published for a general parametric model (GTR+Gamma+I). Here we prove that one of the most widely used models (GTR+Gamma) is identifiable for generic parameters, and for all parameter choices in the case of 4-state (DNA) models. This is the first proof of identifiability of a phylogenetic model with a continuous distribution of rates.
2008-02-01
0709.0552
Ping Ao
P. Ao, D. Galas, L. Hood, X.-M. Zhu
Cancer Genesis and Progression as Dynamics in Functional Landscape of Endogenous Molecular-Cellular Network
13 pages
null
null
null
q-bio.SC q-bio.MN
null
An endogenous molecular-cellular network for both normal and abnormal functions is assumed to exist. This endogenous network forms a nonlinear stochastic dynamical system, with many stable attractors in its functional landscape. Normal or abnormal robust states can be decided by this network in a manner similar to the neural network. In this context cancer is hypothesized as one of its robust intrinsic states. This hypothesis implies that a nonlinear stochastic mathematical cancer model is constructible based on available experimental data and its quantitative prediction is directly testable. Within such model the genesis and progression of cancer may be viewed as stochastic transitions between different attractors. Thus it further suggests that progressions are not arbitrary. Other important issues on cancer, such as genetic vs epigenetics, double-edge effect, dormancy, are discussed in the light of present hypothesis. A different set of strategies for cancer prevention, cure, and care, is therefore suggested.
2007-09-06
0709.0561
Leonard Harris
Leonard A. Harris, Aaron M. Piccirilli, Emily R. Majusiak and Paulette Clancy
Quantifying Stochastic Effects in Biochemical Reaction Networks using Partitioned Leaping
v3: Final accepted version. 15 pages, 9 figures, 3 tables. SSA results included for comparison to PLA
Phys. Rev. E 79 (2009) 051906
10.1103/PhysRevE.79.051906
null
q-bio.SC physics.chem-ph q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
"Leaping" methods show great promise for significantly accelerating stochastic simulations of complex biochemical reaction networks. However, few practical applications of leaping have appeared in the literature to date. Here, we address this issue using the "partitioned leaping algorithm" (PLA) [L.A. Harris and P. Clancy, J. Chem. Phys. 125, 144107 (2006)], a recently-introduced multiscale leaping approach. We use the PLA to investigate stochastic effects in two model biochemical reaction networks. The networks that we consider are simple enough so as to be accessible to our intuition but sufficiently complex so as to be generally representative of real biological systems. We demonstrate how the PLA allows us to quantify subtle effects of stochasticity in these systems that would be difficult to ascertain otherwise as well as not-so-subtle behaviors that would strain commonly-used "exact" stochastic methods. We also illustrate bottlenecks that can hinder the approach and exemplify and discuss possible strategies for overcoming them. Overall, our aim is to aid and motivate future applications of leaping by providing stark illustrations of the benefits of the method while at the same time elucidating obstacles that are often encountered in practice.
2009-07-06
0709.0566
Debprakash Patnaik
K.P.Unnikrishnan (General Motors R&D Center, Warren, MI), Debprakash Patnaik (Dept. Elecetrical Engineering, Indian Institute of Science, Bangalore), P.S.Sastry (Dept. Elecetrical Engineering, Indian Institute of Science, Bangalore)
Discovering Patterns in Multi-neuronal Spike Trains using the Frequent Episode Method
Also see http://neural-code.cs.vt.edu/
null
null
null
cs.DB q-bio.NC
null
Discovering the 'Neural Code' from multi-neuronal spike trains is an important task in neuroscience. For such an analysis, it is important to unearth interesting regularities in the spiking patterns. In this report, we present an efficient method for automatically discovering synchrony, synfire chains, and more general sequences of neuronal firings. We use the Frequent Episode Discovery framework of Laxman, Sastry, and Unnikrishnan (2005), in which the episodes are represented and recognized using finite-state automata. Many aspects of functional connectivity between neuronal populations can be inferred from the episodes. We demonstrate these using simulated multi-neuronal data from a Poisson model. We also present a method to assess the statistical significance of the discovered episodes. Since the Temporal Data Mining (TDM) methods used in this report can analyze data from hundreds and potentially thousands of neurons, we argue that this framework is appropriate for discovering the `Neural Code'.
2008-03-10
0709.0625
Kateryna Mishchenko
Kateryna Mishchenko, Sverker Holmgren and Lars Ronnegard
Efficient Implementation of the AI-REML Iteration for Variance Component QTL Analysis
14 pages, 2 figures
null
null
Research report MDH/IMA ISSN 1404-4978
q-bio.QM q-bio.OT
null
Regions in the genome that affect complex traits, quantitative trait loci (QTL), can be identified using statistical analysis of genetic and phenotypic data. When restricted maximum-likelihood (REML) models are used, the mapping procedure is normally computationally demanding. We develop a new efficient computational scheme for QTL mapping using variance component analysis and the AI-REML algorithm. The algorithm uses an exact or approximative low-rank representation of the identity-by-descent matrix, which combined with the Woodbury formula for matrix inversion results in that the computations in the AI-REML iteration body can be performed more efficiently. For cases where an exact low-rank representation of the IBD matrix is available a-priori, the improved AI-REML algorithm normally runs almost twice as fast compared to the standard version. When an exact low-rank representation is not available, a truncated spectral decomposition is used to determine a low-rank approximation. We show that also in this case, the computational efficiency of the AI-REML scheme can often be significantly improved.
2008-02-11
0709.0679
Joshua Shaevitz
Joshua W. Shaevitz, Daniel A. Fletcher
Curvature and torsion in growing actin networks
null
null
10.1088/1478-3975/5/2/026006
null
q-bio.BM physics.bio-ph q-bio.CB
null
Intracellular pathogens such as Listeria monocytogenes and Rickettsia rickettsii move within a host cell by polymerizing a comet-tail of actin fibers that ultimately pushes the cell forward. This dense network of cross-linked actin polymers typically exhibits a striking curvature that causes bacteria to move in gently looping paths. Theoretically, tail curvature has been linked to details of motility by considering force and torque balances from a finite number of polymerizing filaments. Here we track beads coated with a prokaryotic activator of actin polymerization in three dimensions to directly quantify the curvature and torsion of bead motility paths. We find that bead paths are more likely to have low rather than high curvature at any given time. Furthermore, path curvature changes very slowly in time, with an autocorrelation decay time of 200 seconds. Paths with a small radius of curvature, therefore, remain so for an extended period resulting in loops when confined to two dimensions. When allowed to explore a 3D space, path loops are less evident. Finally, we quantify the torsion in the bead paths and show that beads do not exhibit a significant left- or right-handed bias to their motion in 3D. These results suggest that paths of actin-propelled objects may be attributed to slow changes in curvature rather than a fixed torque.
2009-11-13
0709.0682
Yohan Payan
Nicolas Vuillerme (TIMC - IMAG), Olivier Chenu (TIMC - IMAG), Nicolas Pinsault (TIMC - IMAG), Alexandre Moreau-Gaudry (TIMC - IMAG), Anthony Fleury (TIMC - IMAG), Jacques Demongeot (TIMC - IMAG), Yohan Payan (TIMC - IMAG)
Pressure sensor-based tongue-placed electrotactile biofeedback for balance improvement - Biomedical application to prevent pressure sores formation and falls
null
Dans Proceedings - 29th Annual International Conference of the IEEE Engineering in Medicine and Biology Society., Lyon : France (2007)
null
null
physics.med-ph q-bio.NC
null
We introduce the innovative technologies, based on the concept of "sensory substitution", we are developing in the fields of biomedical engineering and human disability. Precisely, our goal is to design, develop and validate practical assistive biomedical and/or technical devices and/or rehabilitating procedures for persons with disabilities, using artificial tongue-placed tactile biofeedback systems. Proposed applications are dealing with: (1) pressure sores prevention in case of spinal cord injuries (persons with paraplegia, or tetraplegia); and (2) balance control improvement to prevent fall in older and/or disabled adults. This paper describes the architecture and the functioning principle of these biofeedback systems and presents preliminary results of two feasibility studies performed on young healthy adults.
2007-09-06
0709.0689
Yohan Payan
Nicolas Vuillerme (TIMC - IMAG), Olivier Chenu (TIMC - IMAG), Nicolas Pinsault (TIMC - IMAG), Anthony Fleury (TIMC - IMAG), Jacques Demongeot (TIMC - IMAG), Yohan Payan (TIMC - IMAG)
A Plantar-pressure Based Tongue-placed Tactile Biofeedback System for Balance Improvement
null
Computer Methods in Biomechanics and Biomedical Engineering Supplement 1 (2007) 63-64
null
null
physics.med-ph q-bio.NC
null
Maintaining an upright stance represents a complex task, which is achieved by integrating sensory information from the visual, vestibular and somatosensory systems. When one of these sensory inputs becomes unavailable and/or inaccurate and/or unreliable, postural control generally is degraded. One way to solve this problem is to supplement and/or substitute limited/altered/missing sensory information by providing additional sensory information to the central nervous system via an alternative sensory modality. Along these lines, we developed an original biofeedback system [1] whose underlying principle consists in supplying the user with supplementary sensory information related to foot sole pressure distribution through a tongue-placed output device (Tongue Display Unit, "TDU" [2]). The purpose of the present experiment was to assess its effectiveness in improving balance in young healthy adults.
2007-09-06
0709.0719
Alexander K. Vidybida
Alexander K. Vidybida
Estimation of Possible Selectivity and Sensitivity of a Cooperative System to Low-Intensive Microwave Radiation
4 pages, 8 references, talk made on the Electromagnetic Hypersensitivity, 2nd Copenhagen Conference
Physics of the Alive, Volume 3, Issue 1, 1995, Pages 38-39
null
null
physics.bio-ph
null
Recently, origins of non-deterministic behavior and free will in living systems obtain growing interest (see, e.g. Maye A, Hsieh C, Sugihara G, Brembs B (2007) Order in Spontaneous Behavior. PLoS ONE 2(5): e443. doi:10.1371/journal.pone.0000443). In this text, devoted to electromagnetic hypersensitivity, in n.2 and n.4, a possible physical mechanism of free will and consequent indeterminacy in behavior is discussed.
2007-09-06
0709.0723
William Klug
Lin Ma and William S. Klug
Viscous regularization and r-adaptive remeshing for finite element analysis of lipid membrane mechanics
null
null
10.1016/j.jcp.2008.02.019
null
physics.bio-ph physics.comp-ph
null
As two-dimensional fluid shells, lipid bilayer membranes resist bending and stretching but are unable to sustain shear stresses. This property gives membranes the ability to adopt dramatic shape changes. In this paper, a finite element model is developed to study static equilibrium mechanics of membranes. In particular, a viscous regularization method is proposed to stabilize tangential mesh deformations and improve the convergence rate of nonlinear solvers. The Augmented Lagrangian method is used to enforce global constraints on area and volume during membrane deformations. As a validation of the method, equilibrium shapes for a shape-phase diagram of lipid bilayer vesicle are calculated. These numerical techniques are also shown to be useful for simulations of three-dimensional large-deformation problems: the formation of tethers (long tube-like exetensions); and Ginzburg-Landau phase separation of a two-lipid-component vesicle. To deal with the large mesh distortions of the two-phase model, modification of vicous regularization is explored to achieve r-adaptive mesh optimization.
2009-11-13
0709.0778
Zhao Jing
Jing Zhao, Guo-Hui Ding, Lin Tao, Hong Yu, Zhong-Hao Yu, Jian-Hua Luo, Zhi-Wei Cao, Yi-Xue Li
Modular co-evolution of metabolic networks
26 pages, 7 figures
BMC Bioinformatics, 2007, 8:311
null
null
q-bio.MN
null
The architecture of biological networks has been reported to exhibit high level of modularity, and to some extent, topological modules of networks overlap with known functional modules. However, how the modular topology of the molecular network affects the evolution of its member proteins remains unclear. In this work, the functional and evolutionary modularity of Homo sapiens (H. sapiens) metabolic network were investigated from a topological point of view. Network decomposition shows that the metabolic network is organized in a highly modular core-periphery way, in which the core modules are tightly linked together and perform basic metabolism functions, whereas the periphery modules only interact with few modules and accomplish relatively independent and specialized functions. Moreover, over half of the modules exhibit co-evolutionary feature and belong to specific evolutionary ages. Peripheral modules tend to evolve more cohesively and faster than core modules do. The correlation between functional, evolutionary and topological modularity suggests that the evolutionary history and functional requirements of metabolic systems have been imprinted in the architecture of metabolic networks. Such systems level analysis could demonstrate how the evolution of genes may be placed in a genome-scale network context, giving a novel perspective on molecular evolution.
2007-09-07
0709.0792
Vladimir Lobaskin
Vladimir Lobaskin, Dmitry Lobaskin, Igor M. Kulic
Brownian dynamics of a microswimmer
Submitted
Eur. Phys. J. Special Topics 157, 149 (2008)
10.1140/epjst/e2008-00637-7
null
physics.flu-dyn physics.bio-ph
null
We report on dynamic properties of a simple model microswimmer composed of three spheres and propelling itself in a viscous fluid by spinning motion of the spheres under zero net torque constraint. At a fixed temperature and increasing the spinning frequency, the swimmer demonstrates a transition from dissipation-dominated to a pumping-dominated motion regime characterized by negative effective friction coefficient. In the limit of high frequencies, the diffusion of the swimmer can be described by a model of an active particle with constant velocity.
2008-05-08
0709.0823
Carsten Marr
Carsten Marr, Mark Mueller-Linow, Marc-Thorsten Huett
Reply to ''Comment on 'Regularizing Capacity of Metabolic Networks' ''
2 pages, 2 figures
null
10.1103/PhysRevE.77.023902
null
q-bio.MN nlin.CG
null
In a recent paper [C. Marr, M. Mueller-Linow, and M.-T. Huett, Phys. Rev. E 75, 041917 (2007)] we discuss the pronounced potential of real metabolic network topologies, compared to randomized counterparts, to regularize complex binary dynamics. In their comment [P. Holme and M. Huss, arXiv:0705.4084v1], Holme and Huss criticize our approach and repeat our study with more realistic dynamics, where stylized reaction kinetics are implemented on sets of pairwise reactions. The authors find no dynamic difference between the reaction sets recreated from the metabolic networks and randomized counterparts. We reproduce the author's observation and find that their algorithm leads to a dynamical fragmentation and thus eliminates the topological information contained in the graphs. Hence, their approach cannot rule out a connection between the topology of metabolic networks and the ubiquity of steady states.
2009-11-13
0709.0830
Julian Oberdisse
Anna Salvati (UNIFI), Sandra Ristori (UNIFI), Julian Oberdisse (LCVN), Olivier Spalla (LIONS), Giampaolo Ricciardi, Daniela Pietrangeli, Mauro Giustini, Giacomo Martini (UNIFI)
Small Angle Scattering and Zeta Potential of Liposomes Loaded with Octa(carboranyl)porphyrazine
null
The Journal of Physical Chemistry B 111 (2007) 10357-10364
10.1021/jp0731710
null
cond-mat.soft physics.bio-ph
null
In this work the physicochemical characterization of liposomes loaded with a newly synthesised carboranyl porphyrazine (H2HECASPz) is described. This molecule represents a potential drug for different anticancer therapies, such as Boron Neutron Capture Therapy, Photodynamic Therapy and Photothermal Therapy. Different loading methods and different lipid mixtures were tested. The corresponding loaded vectors were studied by Small Angle Scattering (SANS and SAXS), light scattering and zeta potential. The combined analysis of structural data at various length scales and the measurement of the surface charge allowed to obtain a detailed characterization of the investigated systems. The mechanisms underlying the onset of differences in relevant physicochemical parameters (size, polydispersity and charge) were also critically discussed.
2007-09-07
0709.0922
Andrea Pagnani
Alfredo Braunstein, Roberto Mulet, Andrea Pagnani
Estimating the size of the solution space of metabolic networks
8 pages, 7 pdf figures
BMC Bioinformatics. 2008;9:240
null
null
cond-mat.dis-nn cond-mat.stat-mech q-bio.MN q-bio.QM
null
In this work we propose a novel algorithmic strategy that allows for an efficient characterization of the whole set of stable fluxes compatible with the metabolic constraints. The algorithm, based on the well-known Bethe approximation, allows the computation in polynomial time of the volume of a non full-dimensional convex polytope in high dimensions. The result of our algorithm match closely the prediction of Monte Carlo based estimations of the flux distributions of the Red Blood Cell metabolic network but in incomparably shorter time. We also analyze the statistical properties of the average fluxes of the reactions in the E-Coli metabolic network and finally to test the effect of gene knock-outs on the size of the solution space of the E-Coli central metabolism.
2010-04-02
0709.1012
Julian Oberdisse
Anna Salvati (UNIFI), Sandra Ristori (UNIFI), Daniela Pietrangeli, Julian Oberdisse (LCVN), Luca Calamai, Giacomo Martini (UNIFI), Giampaolo Ricciardi
Insertion of a magnesium(II)-octacarboranyl(hexylsulfanyl) porphyrazine into liposomes: a physico-chemical study
null
null
null
null
cond-mat.soft physics.bio-ph
null
The synthesis, characterization and liposome insertion of a novel magnesium(II) carboranyl-porphyrazine, i.e. [2,3,7,8,12,13,17,18-octakis- (1,2-dicarba-closo-dodecaboranyl)-hexylthio-5,10,15,20- porphyrazine]magnesium(II) complex, MgHECSPz, is described. MgHECSPz was designed to improve the potentiality in multiple approach anticancer therapy. Liposomal formulations with different surface charge were prepared as delivering agents. The obtained loaded vectors were characterized by DLS, SAXS, SANS and \zeta potential measurements in order to define the overall properties and structural details of loaded liposomes.
2007-09-11
0709.1148
Alexander Leshansky
Alexander Leshansky, Oded Kenneth
Surface tank-treading: propulsion of Purcell's toroidal swimmer
null
null
10.1063/1.2939069
null
physics.flu-dyn physics.bio-ph
null
In this work we address the "smoking ring" propulsion technique, originally proposed by E. M. Purcell. We first consider self-locomotion of a doughnut-shaped swimmer powered by surface tank-treading. Different modes of surface motion are assumed and propulsion velocity and swimming efficiency are determined. The swimmer is propelled against the direction of its outer surface motion, the inner surface having very little affect. The simplest swimming mode corresponding to constant angular velocity, can achieve propulsion speeds of up to 66% of the surface tank-treading velocity and swimming efficiency of up to 13%. Higher efficiency is possible for more complicated modes powered by twirling of extensible surface. A potential practical design of a swimmer motivated by Purcell's idea is proposed and demonstrated numerically. Lastly, the explicit solution is found for a two-dimensional swimmer composed of two counter-rotating disks, using complex variable techniques.
2009-11-13