Segregation of Polymers in Confined Spaces

We investigate the motion of two overlapping polymers with self-avoidance confined in a narrow 2d box. A statistical model is constructed using blob free-energy arguments. We find spontaneous segregation under the condition: $L > R_{//}$, and mixing under $L < R_{//}$, where L is the length of the box, and $R_{//}$ the polymer extension in an infinite slit. Segregation time scales are determined by solving a mean first-passage time problem, and by performing Monte Carlo simulations. Predictions of the two methods show good agreement. Our results may elucidate a driving force for chromosomes segregation in bacteria

Mesophase formation in two-component cylindrical bottle-brush polymers

When two types of side chains (A,B) are densely grafted to a (stiff) backbone and the resulting bottle-brush polymer is in a solution under poor solvent conditions, an incompatibility between A and B leads to microphase separation in the resulting cylindrical brush. The possible types of ordering are reminiscent of the ordering of block copolymers in cylindrical confinement. Starting from this analogy, Leibler's theory of microphase separation in block copolymer melts is generalized to derive a description of the system in the weak segregation limit. Also molecular dynamics simulation results of a corresponding coarse-grained bead-spring model are presented. Using side chain lengths up to N = 50 effective monomers, the ratio of the Lennard-Jones energy parameter between unlike monomers $(\epsilon_{AB})$ and monomers of the same kind $(\epsilon _{AA} = \epsilon_{BB})$ is varied. Various correlation functions are analyzed to study the conditions when (local) Janus cylinder-type ordering and when (local) microphase separation in the direction along the cylinder axis occurs. Both the analytical theory and the simulations give evidence for short range order due to a tendency towards microphase separation in the axial direction, with a wavelength proportional to the side chain gyration radius, irrespective of temperature and grafting density, for a wide range of these parameters.Comment: 26 pages, 19 figure

Simulation of fluid-solid coexistence in finite volumes: A method to study the properties of wall-attached crystalline nuclei

The Asakura-Oosawa model for colloid-polymer mixtures is studied by Monte Carlo simulations at densities inside the two-phase coexistence region of fluid and solid. Choosing a geometry where the system is confined between two flat walls, and a wall-colloid potential that leads to incomplete wetting of the crystal at the wall, conditions can be created where a single nanoscopic wall-attached crystalline cluster coexists with fluid in the remainder of the simulation box. Following related ideas that have been useful to study heterogeneous nucleation of liquid droplets at the vapor-liquid coexistence, we estimate the contact angles from observations of the crystalline clusters in thermal equilibrium. We find fair agreement with a prediction based on Young's equation, using estimates of interface and wall tension from the study of flat surfaces. It is shown that the pressure versus density curve of the finite system exhibits a loop, but the pressure maximum signifies the "droplet evaporation-condensation" transition and thus has nothing in common with a van der Waals-like loop. Preparing systems where the packing fraction is deep inside the two-phase coexistence region, the system spontaneously forms a "slab state", with two wall-attached crystalline domains separated by (flat) interfaces from liquid in full equilibrium with the crystal in between; analysis of such states allows a precise estimation of the bulk equilibrium properties at phase coexistence

A functional variant in the serotonin receptor 7 gene (HTR7), rs7905446, is associated with good response to SSRIs in bipolar and unipolar depression.

Predicting antidepressant response has been a clinical challenge for mood disorder. Although several genome-wide association studies have suggested a number of genetic variants to be associated with antidepressant response, the sample sizes are small and the results are difficult to replicate. Previous animal studies have shown that knockout of the serotonin receptor 7 gene (HTR7) resulted in an antidepressant-like phenotype, suggesting it was important to antidepressant action. In this report, in the first stage, we used a cost-effective pooled-sequencing strategy to sequence the entire HTR7 gene and its regulatory regions to investigate the association of common variants in HTR7 and clinical response to four selective serotonin reuptake inhibitors (SSRIs: citalopram, paroxetine, fluoxetine and sertraline) in a retrospective cohort mainly consisting of subjects with bipolar disorder (n = 359). We found 80 single-nucleotide polymorphisms (SNPs) with false discovery rate &lt; 0.05 associated with response to paroxetine. Among the significant SNPs, rs7905446 (T/G), which is located at the promoter region, also showed nominal significance (P &lt; 0.05) in fluoxetine group. GG/TG genotypes for rs7905446 and female gender were associated with better response to two SSRIs (paroxetine and fluoxetine). In the second stage, we replicated this association in two independent prospective samples of SSRI-treated patients with major depressive disorder: the MARS (n = 253, P = 0.0169) and GENDEP studies (n = 432, P = 0.008). The GG/TG genotypes were consistently associated with response in all three samples. Functional study of rs7905446 showed greater activity of the G allele in regulating expression of HTR7. The G allele displayed higher luciferase activity in two neuronal-related cell lines, and estrogen treatment decreased the activity of only the G allele. Electrophoretic mobility shift assay suggested that the G allele interacted with CCAAT/enhancer-binding protein beta transcription factor (TF), while the T allele did not show any interaction with any TFs. Our results provided novel pharmacogenomic evidence to support the role of HTR7 in association with antidepressant response

SURFACE INDUCED FINITE-SIZE EFFECTS FOR FIRST ORDER PHASE TRANSITIONS

We consider classical lattice models describing first-order phase transitions, and study the finite-size scaling of the magnetization and susceptibility. In order to model the effects of an actual surface in systems like small magnetic clusters, we consider models with free boundary conditions. For a field driven transition with two coexisting phases at the infinite volume transition point $h=h_t$, we prove that the low temperature finite volume magnetization m_{\free}(L,h) per site in a cubic volume of size $L^d$ behaves like m_\free(L,h)=\frac{m_++m_-}2 + \frac{m_+-m_-}2 \tanh \bigl(\frac{m_+-m_-}2\,L^d\, (h-h_\chi(L))\bigr)+O(1/L), where $h_\chi(L)$ is the position of the maximum of the (finite volume) susceptibility and $m_\pm$ are the infinite volume magnetizations at $h=h_t+0$ and $h=h_t-0$, respectively. We show that $h_\chi(L)$ is shifted by an amount proportional to $1/L$ with respect to the infinite volume transitions point $h_t$ provided the surface free energies of the two phases at the transition point are different. This should be compared with the shift for periodic boun\- dary conditons, which for an asymmetric transition with two coexisting phases is proportional only to $1/L^{2d}$. One also consider the position $h_U(L)$ of the maximum of the so called Binder cummulant U_\free(L,h). While it is again shifted by an amount proportional to $1/L$ with respect to the infinite volume transition point $h_t$, its shift with respect to $h_\chi(L)$ is of the much smaller order $1/L^{2d}$. We give explicit formulas for the proportionality factors, and show that, in the leading $1/L^{2d}$ term, the relative shift is the same as that for periodic boundary conditions.Comment: 65 pages, amstex, 1 PostScript figur

Long-range Effects on the Pyroelectric Coefficient and Dielectric Susceptibility of a Ferroelectric Bilayer

Long-range effects on the pyroelectric coefficient and susceptibility of a ferroelectric bilayer with a ferroelectric interfacial coupling are investigated by use of the transverse Ising model within the framework of mean-field theory. The effects of the interfacial coupling and the transverse field on the pyroelectric coefficient and susceptibility of the bilayer are investigated by taking into account the long-range interaction. It is found that the pyroelectric coefficient and susceptibility increase with the decrease of the magnitude of the long-range interaction and the interfacial coupling when the temperature is lower than the phase transition temperature. We also find that the strong long-range interaction, the large transverse field and weak interfacial coupling can lead to the disappearance of some of the peaks of the pyroelectric coefficient and susceptibility of the ferroelectric bilayer. The phase transition temperature increases with the increase of the strength of the long-range interaction, which is similar to the results obtained in ferroelectric multi-layers or superlattice.Comment: 23 pages, 11 figure

Non-equlibrium effects in transport through quantum dots

The role of non-equilibrium effects in the conductance through quantum dots is investigated. Associated with single-electron tunneling are shake-up processes and the formation of excitonic-like resonances. They change qualitatively the low temperature properties of the system. We analyze by quantum Monte Carlo methods the renormalization of the effective capacitance and the gate-voltage dependent conductance. Experimental relevance is discussed.Comment: 10 pages, 8 postscript figure

A DNA methylation biomarker of alcohol consumption.

The lack of reliable measures of alcohol intake is a major obstacle to the diagnosis and treatment of alcohol-related diseases. Epigenetic modifications such as DNA methylation may provide novel biomarkers of alcohol use. To examine this possibility, we performed an epigenome-wide association study of methylation of cytosine-phosphate-guanine dinucleotide (CpG) sites in relation to alcohol intake in 13 population-based cohorts (ntotal=13 317; 54% women; mean age across cohorts 42-76 years) using whole blood (9643 European and 2423 African ancestries) or monocyte-derived DNA (588 European, 263 African and 400 Hispanic ancestry) samples. We performed meta-analysis and variable selection in whole-blood samples of people of European ancestry (n=6926) and identified 144 CpGs that provided substantial discrimination (area under the curve=0.90-0.99) for current heavy alcohol intake (⩾42 g per day in men and ⩾28 g per day in women) in four replication cohorts. The ancestry-stratified meta-analysis in whole blood identified 328 (9643 European ancestry samples) and 165 (2423 African ancestry samples) alcohol-related CpGs at Bonferroni-adjusted P<1 × 10-7. Analysis of the monocyte-derived DNA (n=1251) identified 62 alcohol-related CpGs at P<1 × 10-7. In whole-blood samples of people of European ancestry, we detected differential methylation in two neurotransmitter receptor genes, the γ-Aminobutyric acid-A receptor delta and γ-aminobutyric acid B receptor subunit 1; their differential methylation was associated with expression levels of a number of genes involved in immune function. In conclusion, we have identified a robust alcohol-related DNA methylation signature and shown the potential utility of DNA methylation as a clinically useful diagnostic test to detect current heavy alcohol consumption.Medical Research Council (Grant IDs: MC_UU_12015/1, MC_UU_12015/2), Wellcome Trust. Detailed acknowledgements are included in the Supplementary Information that accompanies the paper on the Molecular Psychiatry website

Phase transitions in quantum chromodynamics

The current understanding of finite temperature phase transitions in QCD is reviewed. A critical discussion of refined phase transition criteria in numerical lattice simulations and of analytical tools going beyond the mean-field level in effective continuum models for QCD is presented. Theoretical predictions about the order of the transitions are compared with possible experimental manifestations in heavy-ion collisions. Various places in phenomenological descriptions are pointed out, where more reliable data for QCD's equation of state would help in selecting the most realistic scenario among those proposed. Unanswered questions are raised about the relevance of calculations which assume thermodynamic equilibrium. Promising new approaches to implement nonequilibrium aspects in the thermodynamics of heavy-ion collisions are described.Comment: 156 pages, RevTex. Tables II,VIII,IX and Fig.s 1-38 are not included as postscript files. I would like to ask the requestors to copy the missing tables and figures from the corresponding journal-referenc

SPARC 2018 Internationalisation and collaboration : Salford postgraduate annual research conference book of abstracts

Welcome to the Book of Abstracts for the 2018 SPARC conference. This year we not only celebrate the work of our PGRs but also the launch of our Doctoral School, which makes this year’s conference extra special. Once again we have received a tremendous contribution from our postgraduate research community; with over 100 presenters, the conference truly showcases a vibrant PGR community at Salford. These abstracts provide a taster of the research strengths of their works, and provide delegates with a reference point for networking and initiating critical debate. With such wide-ranging topics being showcased, we encourage you to take up this great opportunity to engage with researchers working in different subject areas from your own. To meet global challenges, high impact research inevitably requires interdisciplinary collaboration. This is recognised by all major research funders. Therefore engaging with the work of others and forging collaborations across subject areas is an essential skill for the next generation of researchers