Simulation of Solvation Dynamics in H-Bonding Solvents: Dynamics of Solute–Solvent H-Bonds in Methanol–Water Mixtures

Molecular dynamics (MD) simulations have been undertaken in order to investigate the collective solvent reorganization following an instantaneous electronic charge transfer between distinct atomic sites of diatomic probe molecules immersed in methanol–water mixtures. Our previous studies of solvation dynamics in these mixtures [28,29] are extended here to the analysis of nonequilibrium time-dependent solute–solvent site–site pair distribution functions for the equimolar mixture using two different solute sizes. This has allowed us to obtain a more detailed picture of the solvent reorganization in response to the solute's excitation. Special attention is devoted to the dynamics of rupture and formation of hydrogen bonds between the smaller probe solute and solvent molecules, and its relationship to the molecular mechanisms of solvation dynamics in these systems on distinct time scales. This revised version was published online in June 2006 with corrections to the Cover Date.     

Molecular regulation of hypothalamus–pituitary–gonads axis in males

The hypothalamic–pituitary–gonadal axis (HPG) plays vital roles in reproduction and steroid hormone production in both sexes. The focus of this review is upon gene structures, receptor structures and the signaling pathways of gonadotropin-releasing hormone (GnRH), luteinizing hormone (LH) and follicle-stimulating hormone (FSH). The hormones' functions in reproduction as well as consequences resulting from mutations are also summarized. Specific characteristics of hormones such as the pulsatile secretions of GnRH are also covered. The different regulators of the HPG axis are introduced including kisspeptin, activin, inhibin, follistatin, androgens and estrogen. This review includes not only their basic information, but also their unique function in the HPG axis. Here we view the HPG axis as a whole, so relations between ligands and receptors are well described crossing different levels of the HPG axis. Hormone interactions and transformations are also considered. The major information of this article is depicted in three figures summarizing the current discoveries on the HPG axis. This article systematically introduces the basic knowledge of the HPG axis and provides information of the current advances relating to reproductive hormones.     

A Comparative Study of the Spatial Distribution of Schistosomiasis in Mali in 1984–1989 and 2004–2006

Background

We investigated changes in the spatial distribution of schistosomiasis in Mali following a decade of donor-funded control and a further 12 years without control.

Methodology/Principal Findings

National pre-intervention cross-sectional schistosomiasis surveys were conducted in Mali in 1984–1989 (in communities) and again in 2004–2006 (in schools). Bayesian geostatistical models were built separately for each time period and on the datasets combined across time periods. In the former, data from one period were used to predict prevalence of schistosome infections for the other period, and in the latter, the models were used to determine whether spatial autocorrelation and covariate effects were consistent across periods. Schistosoma haematobium prevalence was 25.7% in 1984–1989 and 38.3% in 2004–2006; S. mansoni prevalence was 7.4% in 1984–1989 and 6.7% in 2004–2006 (note the models showed no significant difference in mean prevalence of either infection between time periods). Prevalence of both infections showed a focal spatial pattern and negative associations with distance from perennial waterbodies, which was consistent across time periods. Spatial models developed using 1984–1989 data were able to predict the distributions of both schistosome species in 2004–2006 (area under the receiver operating characteristic curve was typically >0.7) and vice versa.

Conclusions/Significance

A decade after the apparently successful conclusion of a donor-funded schistosomiasis control programme from 1982–1992, national prevalence of schistosomiasis had rebounded to pre-intervention levels. Clusters of schistosome infections occurred in generally the same areas accross time periods, although the precise locations varied. To achieve long-term control, it is essential to plan for sustainability of ongoing interventions, including stengthening endemic country health systems.     

Peristaltic motion of Phan–Thien–Tanner fluid in the presence of slip condition

This investigation considers the peristaltic flow of a Phan–Thien–Tanner fluid in the presence of slip condition and induced magnetic field. By use of the long wavelength and low Reynolds number approximations, closed form series solutions for stream function, pressure gradient, magnetic force function, axial induced magnetic field, and current density were obtained. The pressure gradient and frictional forces per wavelength were computed by numerical integration. The velocity slip condition in terms of shear stress is taken into account. Graphical results show the comparison between no-slip and viscous fluid cases. Pumping and trapping phenomena are discussed.     

Historical perspectives of material use in Czechoslovakia in 1855–2007

The article deals with the historical development of material use in the Bohemia and Moravia-Silesia/Czechoslovakia in 1855–2007. We calculate domestic material consumption (DMC), an indicator based on the concept of socio-economic metabolism and economy-wide material flow analysis, and relate it to various socio-economic factors such as changes in political regimes, industrialization and consequent growth in GDP and population. DMC is good at reflecting the gradual industrialization which took place up to the First World War, then the strong focus on the development of heavy industry under communist rule, and finally the swing to a more consumer industry and service-oriented economy after the fall of the communist regime and the subsequent transition from a centrally planned to a market economy. The comparable DMC figures per capita for Czechoslovakia and the United Kingdom prove that we arrived at feasible values of material consumption.     

Zooplankton of Lake Peipsi-Pihkva in 1909–1987

164 taxa were identified in the net zooplankton of the pelagial of L. Peipsi-Pihkva in 1909–1987, including 3 species of protozoans, 74 species of rotifers, 58 species of cladocerans, 28 species of copepods and 1 mollusc. One rotifer species, Ploesoma peipsiense Mäemets et Kutikova, has been described as new for science here. The zooplankton of L. Peipsi-Pihkva is remarkably rich in species including rarities in Estonia: Limnosida frontosa, Drepanothrix dentata, Bythotrephes longimanus, B. cederstroemi etc. Due to its large surface area, L. Peipsi-Pihkva provides a large scale of biotopes of a diverse trophic state and humic content, which support species with different ecological requirements. Most of the aquatory of the lake has lately been mesotrophic, favouring the coexistence of indicators of oligo- and mesotrophic state and species preferring a higher trophic state. The occurrece of 10 species of the genus Bosmina including B. berolinensis, B. gibbera, B. lilljeborgi, B. thersites and B. crassicornis, sparse in Estonian lakes, is the most noteworthy feature of the zooplankton of L. Peipsi-Pihkva. The coexistence of B. coregoni and B. berolinensis, B. gibbera, B. lilljeborgi etc. which were earlier regarded as subspecies of B. c. coregoni proves that they are different species producing usually no hybrids. The species composition was subjected to certain changes during the years under consideration. Larvae of Dreissena were first found in zooplankton in 1962. The oligo-mesotrophic indicator Holopedium gibberum occurred in the lake in 1909–1964, but was lacking in later samples.     

EMG in rotation–flexion of the torso

The objective of this study was to determine the magnitude and phasic relationship of the torso muscles in rotation–flexion of varying degree of asymmetries of the trunk. Nineteen normal young subjects (7 males and 12 females) were stabilized on a posture stabilizing platform and instructed to assume a flexed and right rotated posture. A combination 20°, 40° and 60° of rotation and 20°, 40° and 60° of flexion resulted in nine postures. These postures were assumed in a random order. The subjects were asked to exert their maximal voluntary isometric contraction (MVC) in the plane of rotation of the posture assumed for a period of 5 s. The surface EMG from the external and internal obliques, rectus abdominis, latissimus dorsi and erector spinae at the 10th thoracic and 3rd lumbar vertebral levels was recorded. The abdominal muscles had the least response at 40° of flexion, the dorsal muscles had the highest magnitude.With increasing right rotation, the left external oblique continued to decrease its activity. The ANOVA revealed that rotation and muscles had a significant main effect on normalized peak EMG (p < 0.02) in both genders. There was a significant interaction between rotation and flexion in both genders (p < 0.02) and rotation and muscle in females. The erector spinae activity was highest at 40° flexion, due to greater mechanical disadvantage and having not reached the state of flexion–relaxation. The abdominal muscle activity declined with increasing asymmetry, due to the decreasing initial muscle length. The EMG activity was significantly affected by rotation than flexion (p < 0.02).     

Evolutionary Advantages of Participation of Vasopressin instead of Vasotocin in Regulation of Water–Salt Balance in Mammals

In experiments on non-anesthetized Wistar white rats there was studied reaction of kidney to an intramuscular injection of arginine vasotocin or arginine vasopressin at doses from 0.001 to 0.05 µg/100 g body mass on the background of a water load. Water (5 ml/100 g body mass) was administered through a catheter into stomach to suppress secretion of endogenous antidiuretic hormone (ADH). In experiments with water administration, diuresis increased due to a decrease of osmotic permeability of renal tubules and to excretion of osmotically free water, with the constant clearance of sodium ions. Injection of 0.05 µg arginine vasopressin led to a marked decrease of diuresis due to a rise of reabsorption of osmotically free water without elevation of excretion of osmotically active substances. Injection of the same dose of arginine vasotocin resulted in no increase of diuresis; however, reabsorption of osmotically free water and excretion of osmotically active substances including sodium ions were more pronounced. Hence, both vasotocin and vasopressin increased osmotic permeability of the tubular epithelium, but vasotocin, unlike vasopressin, promoted reduction of reabsorption of sodium ions and their loss with urine. A suggestion is made that one of the reasons for replacement in mammals of the molecular ADH forms (vasotocin by vasopressin) was the absence of the pronounced natriuretic effect in arginine vasopressin. This was of crucial significance to preserve sodium ions in the organism, to maintain water–salt balance in animals adapted to the terrestrial life, and to provide not only osmo-, but also volumoregulation.     

Mutation of SIMPLE in Charcot–Marie–Tooth 1C alters production of exosomes

Charcot–Marie–Tooth (CMT) disease is an inherited neurological disorder. Mutations in the small integral membrane protein of the lysosome/late endosome (SIMPLE) account for the rare autosomal-dominant demyelination in CMT1C patients. Understanding the molecular basis of CMT1C pathogenesis is impeded, in part, by perplexity about the role of SIMPLE, which is expressed in multiple cell types. Here we show that SIMPLE resides within the intraluminal vesicles of multivesicular bodies (MVBs) and inside exosomes, which are nanovesicles secreted extracellularly. Targeting of SIMPLE to exosomes is modulated by positive and negative regulatory motifs. We also find that expression of SIMPLE increases the number of exosomes and secretion of exosome proteins. We engineer a point mutation on the SIMPLE allele and generate a physiological mouse model that expresses CMT1C-mutated SIMPLE at the endogenous level. We find that CMT1C mouse primary embryonic fibroblasts show decreased number of exosomes and reduced secretion of exosome proteins, in part due to improper formation of MVBs. CMT1C patient B cells and CMT1C mouse primary Schwann cells show similar defects. Together the data indicate that SIMPLE regulates the production of exosomes by modulating the formation of MVBs. Dysregulated endosomal trafficking and changes in the landscape of exosome-mediated intercellular communications may place an overwhelming burden on the nervous system and account for CMT1C molecular pathogenesis.     

Investigation of Lysozyme–Antilysozyme Interactions in a Model Tetrahymena–EscherichiaCommunity

Lysozyme and antilysozyme activities present in a wide range of microorganisms determine the so-called lysozyme–antilysozyme system of hydrobionts, which greatly contribute to the formation of aquatic biocenoses. However, the mechanism of the functioning of this system in natural freshwater communities remains obscure. The experimental investigation of lysozyme–antilysozyme interactions in a model Tetrahymena–Escherichiacommunity showed that the antilysozyme activity of Escherichia colileads to incomplete phagocytosis, thus enhancing bacterial survival in a mixed culture with infusoria. The selection and reproduction of bacterial cells resistant to grazing by infusoria determine the character of host–parasite interactions and allow bacteria to survive. It was demonstrated that the antilysozyme activity of microorganisms, which is responsible for bacterial persistency in natural biocenoses, is involved in the maintenance of protozoa–bacteria communities in bodies of water.     

General analysis of competitive binding in drug–interceptor–DNA systems

A general model of competitive binding in drug–interceptor–DNA systems has been developed in order to quantify both the interceptor and protector mechanisms. The model involves full parameterization of the basic equations governing the mutual competition between drugs binding to DNA and incorporates as partial cases various similar models existing in the literature. The generality of the model results from strict accounting of the statistical effects of the binding of the drug and interceptor with DNA according to the McGhee-von Hippel formalism, and to the strict treatment of hetero-association between the drug and interceptor, which includes formation of all possible types of self- and hetero-complexes in solution. Indirect experimental evidence is provided for the importance of the protector mechanism in drug–caffeine–DNA systems, which is sometimes ignored in the literature because of the small magnitude of the CAF-DNA binding constant.     

Some progress in the study of plant–soil interactions in China

Plants and soil are the base for sustainably surviving human beings on the globe as the role of materials, energy, resources and environment (Shao & Chu 2008; Shao et al. 2008, 2009, 2010, 2012a,b; Liu & Shao, 2010; Ruan et al. 2010; Xu et al. 2010, 2012; Shao 2012; Huang et al. 2013). This topic has been extensively investigated for 100 years with more achievements in many sectors and practical significance in conducting high-efficient agriculture and eco-environmental construction. The plant–soil interaction is the core issue of this topic, which has been given much attention for the past 30 years (Wu et al. 2007, 2010; Zhang et al. 2011, 2013; Xu et al. 2012, 2013).     

Changes in the status of tortoise populations in Greece 1984–2001

Three species of tortoise (Testudinidae) occur in Greece (Testudo hermanni, T. graeca and the endemic T. marginata), all of which have been listed as rare or vulnerable. This paper describes the current situation of 75 populations that were last observed in the 1970s and 1980s and described in 1989. Twenty-nine populations had declined in density and/or status (significantly more than had improved), 10 of which were functionally extinct. A particularly notable loss was a dense population of T. marginata at Gytheion in the Peloponnese due to a widespread fire. Declining populations were significantly associated with identified high threat in 1989 and with close proximity to human settlement. There were no significant effects of tortoise species, area of site, characteristics of surrounding areas or original density on these changes. Declines were less associated with agriculture than predicted in 1989, reflecting changing economic conditions in Greece in the 1990s. Continuing threats to tortoise habitats make their long-term future appear bleak outside of protected areas. The risk of extinction from stochastic variation in small populations was also assessed, using the VORTEX program. This risk was much lower than that from habitat loss; 60–96% of populations of 100 tortoises would survive for 1000 years, depending on adult body size, compared to only 0–0.02% of habitats. The high survival potential of small populations would facilitate conservation of the high intraspecific diversity of tortoises in Greece.     

Repair of DNA–Protein Cross-links in Mammalian Cells

DNA–protein cross-links are generated by both endogenous and exogenous DNA damaging agents, as intermediates during normal DNA metabolism, and during abortive base excision repair. Cross-links are relatively common lesions that are lethal when they block progression of DNA polymerases. DNA–protein cross-links may be broadly categorized into four groups by the DNA and protein chemistries near the cross-link and by the source of the cross-link: DNA–protein cross-links may be found (1) in nicked DNA at the 3' end of one strand (topo I), (2) in nicked DNA at the 5' end of one strand (pol beta), (3) at the 5' ends of both strands adjacent to nicks in close proximity (topo II; Spo 11), and (4) in one strand of duplex DNA (UV irradiation; bifunctional carcinogens and chemotherapeutic agents). Repair mechanisms are reasonably well-defined for groups 1 and 3, and suggested for groups 2 and 4. Our work is focused on the recognition and removal of DNA–protein cross-links in duplex DNA (group 4).     

Invasibility of Nectarless Flowers in Plant–Pollinator Systems

This paper considers plant–pollinator systems in which plants are divided into two categories: The plants that secret a substantial volume of nectar in their flowers are called secretors, while those without secreting nectar are called nonsecretors (cheaters). The interaction between pollinators and secretors is mutualistic, while the interaction between pollinators and nonsecretors is parasitic. Both interactions can be described by Beddington–DeAngelis functional responses. Using dynamical systems theory, we show global dynamics of a pollinator–secretor–cheater model and demonstrate mechanisms by which nectarless flowers/nonsecretors can invade the pollinator–secretor system and by which the three species could coexist. We define a threshold in the nonsecretors’ efficiency in translating pollinator–cheater interaction into fitness, which is determined by parameters (factors) in the systems. When their efficiency is above the threshold, non-secretors can invade the pollinator–secretor system. While the nonsecretors’ invasion often leads to their persistence in pollinator–secretor systems, the model demonstrates situations in which the non-secretors’ invasion can drive secretors into extinction, which consequently leads to extinction of the nonsecretors themselves.     

Activity of the hypothalamic–pituitary–adrenal axis of prenatally stressed male rats in experimental model of depression

Changes in activity of the hypothalamic–pituitary–adrenal (HPA) axis were examined in adult, prenatally stressed male rats in the experimental depression model of ‘learned helplessness’. It was shown that in males descending from intact mothers a depressive-like state was accompanied by an increase in activity of the entire HPA axis. Namely, expression of corticotropin-releasing hormone (CRH) in the hypothalamic paraventricular nucleus (PVN) increased coupled to a rise in plasma levels of ACTH and corticosterone as well as in adrenal weight. At the same time, in males born to mothers who suffered stress during the last week of pregnancy a decrease was detected in activity both of the central (hypothalamus) and peripheral (adrenal cortex) parts of this regulatory hormonal axis, analogous to that we revealed previously in the ‘stress–restress’ experimental model. It is concluded that prenatal stress modifies the sensitivity of animals to inescapable intense stress impacts, as manifested in the specific pattern of HPA axis activity after stressing.     

Rural–urban gradient in seasonal forcing of measles transmission in Niger

Seasonally driven cycles of incidence have been consistently observed for a range of directly transmitted pathogens. Though frequently observed, the mechanism of seasonality for directly transmitted human pathogens is rarely well understood. Despite significant annual variation in magnitude, measles outbreaks in Niger consistently begin in the dry season and decline at the onset of the seasonal rains. We estimate the seasonal fluctuation in measles transmission rates for the 38 districts and urban centres of Niger, from 11 years of weekly incidence reports. We show that transmission rates are consistently in anti-phase to the rainfall patterns across the country. The strength of the seasonal forcing of transmission is not correlated with the latitudinal rainfall gradient, as would be expected if transmission rates were determined purely by environmental conditions. Rather, seasonal forcing is correlated with the population size, with larger seasonal fluctuation in more populous, urban areas. This pattern is consistent with seasonal variation in human density and contact rates due to agricultural cycles. The stronger seasonality in large cities drives deep inter-epidemic troughs and results in frequent local extinction of measles, which contrasts starkly to the conventional observation that large cities, by virtue of their size, act as reservoirs of measles.     

Demonstration of cross-reacting material in Tay–Sachs disease

Antibodies against placental hexosaminidase A and kidney alpha-subunits were raised in rabbits after cross-linking the antigens with glutaraldehyde. Anti-(alpha(n)-subunit) antiserum (anti-alpha(n)) precipitated hexosaminidase A but not hexosaminidase B, whereas anti-(hexosaminidase A) antiserum precipitated both hexosaminidases A and B. Specific anti-(hexosaminidase A) antiserum was prepared by absorbing antiserum with hexosaminidase B. Both anti-alpha(n) and anti-(hexosaminidase A) antisera precipitated the CR (cross-reacting) material from eight unrelated patients with Tay-Sachs disease. Immunotitration, immunoelectrophoresis, double-immunodiffusion and radial-immunodiffusion techniques were used to demonstrate the presence of CR material. The CR-material-antibody complex was enzymically inactive. Antiserum raised against kidney or placental hexosaminidase A, without cross-linking with glutaraldehyde, failed to precipitate the CR material, implying that treatment of the protein with glutaraldehyde exposes antigenic determinants that are hidden in the native protein. Since anti-(hexosaminidase B) antiserum did not precipitate the CR material during the immunoelectrophoresis of Tay-Sachs liver extracts, it is suggested that altered alpha-subunits do not combine with beta-subunits. By using immunotitration we have demonstrated the competition between the hexosaminidase B-free Tay-Sachs liver extract and hexosaminidase A for the common binding sites on monospecific anti-(cross-linked hexosaminidase A) antiserum. The amount of CR material in the liver samples from seven cases of Tay-Sachs desease was found to be in the same range as theoretically calculated alpha-subunits in normal liver samples. Similar results were obtained by the radial-immunodiffusion studies. The present studies therefore suggest that Tay-Sachs disease is caused by a structural-gene mutation.     

Plant–bacteria interactions in the removal of pollutants

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Highlights► Rhizobacteria degrade a wide range of pollutants and efficiently colonize plant roots. ► Plants have an effect on the selection of their own rhizospheric microorganisms. ► Catabolic pathways can be induced by natural secondary plant products. ► Horizontal gene transfer has an important role in bioremediation. ► Manipulation of plant/microbe interactions could improve rhizoremediation outcomes.     

Protein–protein interactions of huntingtin in the hippocampus

Molecular Biology - Huntingtin (HTT) occurs in the neuronal cytoplasm and can interact with structural elements of synapses. Huntington’s disease (HD) results from pathological expansion of a...