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https://www.readbyqxmd.com/read/28449545/structural-variety-and-adsorptive-properties-of-mesoporous-silicas-with-immobilized-oligosaccharide-groups
#1
Iryna Trofymchuk, Nadiia Roik, Lyudmila Belyakova
In this research, we report on the synthesis of mesoporous silicas with various quantities of immobilized oligosaccharide groups and different pore ordering degree. The hydrothermal co-condensation of tetraethyl orthosilicate and β-cyclodextrin-containing organosilane in the presence of cetyltrimethylammonium bromide template was employed. The purpose of this investigation was to show the opportunity of increasing β-cyclodextrin content in silica matrix by changing the molar ratio of initial reagents during organosilane synthesis and to determine whether the enhancing of immobilized groups on the surface influences on model aromatic compound adsorption from water...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28449373/biophysical-analysis-of-the-dynamics-of-calmodulin-interactions-with-neurogranin-and-ca2-calmodulin-dependent-kinase-ii
#2
Christian Seeger, Vladimir O Talibov, U Helena Danielson
Calmodulin (CaM) functions depend on interactions with CaM-binding proteins, regulated by Ca2+. Induced structural changes influence the affinity, kinetics, and specificities of the interactions. The dynamics of CaM interactions with neurogranin (Ng) and the CaM-binding region of Ca2+/calmodulin-dependent kinase II (CaMKII290-309 ) have been studied using biophysical methods. These proteins have opposite Ca2+ dependencies for CaM binding. Surface plasmon resonance biosensor analysis confirmed that Ca2+ and CaM interact very rapidly, and with moderate affinity ( KDSPR=3μM)...
April 27, 2017: Journal of Molecular Recognition: JMR
https://www.readbyqxmd.com/read/28449096/two-ribosome-recruitment-sites-direct-multiple-translation-events-within-hiv1-gag-open-reading-frame
#3
Jules Deforges, Sylvain de Breyne, Melissa Ameur, Nathalie Ulryck, Nathalie Chamond, Afaf Saadi, Yann Ponty, Theophile Ohlmann, Bruno Sargueil
In the late phase of the HIV virus cycle, the unspliced genomic RNA is exported to the cytoplasm for the necessary translation of the Gag and Gag-pol polyproteins. Three distinct translation initiation mechanisms ensuring Gag production have been described with little rationale for their multiplicity. The Gag-IRES has the singularity to be located within Gag ORF and to directly interact with ribosomal 40S. Aiming at elucidating the specificity and the relevance of this interaction, we probed HIV-1 Gag-IRES structure and developed an innovative integrative modelling strategy to take into account all the gathered information...
April 26, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28449031/rnablueprint-flexible-multiple-target-nucleic-acid-sequence-design
#4
Stefan Hammer, Birgit Tschiatschek, Christoph Flamm, Ivo L Hofacker, Sven Findeiß
Motivation: Realizing the value of synthetic biology in biotechnology and medicine requires the design of molecules with specialized functions. Due to its close structure to function relationship, and the availability of good structure prediction methods and energy models, RNA is perfectly suited to be synthetically engineered with predefined properties. However, currently available RNA design tools cannot be easily adapted to accommodate new design specifications. Furthermore, complicated sampling and optimization methods are often developed to suit a specific RNA design goal, adding to their inflexibility...
April 25, 2017: Bioinformatics
https://www.readbyqxmd.com/read/28448899/undesirable-properties-of-the-dimensionless-normalisation-for-spatio-temporal-variables
#5
Kohleth Chia, Morgan Sangeux
We used theory and empirical data to demonstrate three undesirable properties of the dimensionless normalisation technique for gait spatio-temporal parameters. Firstly, it may not fully remove the correlation between leg length and spatio-temporal parameters. Secondly, it induces spurious correlation among spatio-temporal parameters, which might obscure their true correlation structure. Thirdly, it induces spurious correlation with external covariates, which complicates further statistical modelling. Therefore, depending on the objectives, we propose alternatives...
April 19, 2017: Gait & Posture
https://www.readbyqxmd.com/read/28448683/magnetic-resonance-imaging-connectivity-for-the-prediction-of-seizure-outcome-in-temporal-lobe-epilepsy
#6
Victoria L Morgan, Dario J Englot, Baxter P Rogers, Bennett A Landman, Ahmet Cakir, Bassel W Abou-Khalil, Adam W Anderson
OBJECTIVE: Currently, approximately 60-70% of patients with unilateral temporal lobe epilepsy (TLE) remain seizure-free 3 years after surgery. The goal of this work was to develop a presurgical connectivity-based biomarker to identify those patients who will have an unfavorable seizure outcome 1-year postsurgery. METHODS: Resting-state functional and diffusion-weighted 3T magnetic resonance imaging (MRI) was acquired from 22 unilateral (15 right, 7 left) patients with TLE and 35 healthy controls...
April 27, 2017: Epilepsia
https://www.readbyqxmd.com/read/28448629/structure-and-function-of-a-novel-gh8-endoglucanase-from-the-bacterial-cellulose-synthase-complex-of-raoultella-ornithinolytica
#7
Sandra Mara Naressi Scapin, Flavio Henrique Moreira Souza, Leticia Maria Zanphorlin, Thamyres Silva de Almeida, Youssef Bacila Sade, Alexander Machado Cardoso, Guilherme Luiz Pinheiro, Mario Tyago Murakami
Cellulose synthesis in bacteria is a complex process involving the concerted action of several enzymes whose genes are often organized in operons. This process influences many fundamental physiological aspects such as bacteria and host interaction, biofilm formation, among others. Although it might sound contradictory, the participation of cellulose-degrading enzymes is critical to this process. The presence of endoglucanases from family 8 of glycosyl hydrolases (GH8) in bacterial cellulose synthase (Bcs) complex has been described in different bacteria, including the model organism Komagataeibacter xylinus; however, their role in this process is not completely understood...
2017: PloS One
https://www.readbyqxmd.com/read/28448623/development-of-the-cutaneous-microbiome-in-the-preterm-infant-a-prospective-longitudinal-study
#8
Mohan Pammi, Jacqueline L O'Brien, Nadim J Ajami, Matthew C Wong, James Versalovic, Joseph F Petrosino
BACKGROUND: Neonatal sepsis in preterm infants is often due to organisms that colonize the skin including Staphylococcus spp. and Candida spp. Development and maturation of the skin microbiome in the neonatal period, especially in preterm infants, may be critical in preventing colonization with pathogens and subsequent progression to neonatal sepsis. Development of the skin microbiome in preterm infants or its determinants in the first 4 weeks of life has not been evaluated. METHODS: We evaluated the skin microbiome from three body sites, antecubital fossa, forehead and gluteal region, in a prospective cohort of 15 preterm (birth weight < 1500 g and < 32 weeks of gestation) and 15 term neonates...
2017: PloS One
https://www.readbyqxmd.com/read/28448610/characterization-and-expression-analysis-of-galnts-in-developing-strongylocentrotus-purpuratus-embryos
#9
Amber L Famiglietti, Zheng Wei, Thomas M Beres, Adina L Milac, Duy T Tran, Divya Patel, Robert C Angerer, Lynne M Angerer, Lawrence A Tabak
Mucin-type O-glycosylation is a ubiquitous posttranslational modification in which N-Acetylgalactosamine (GalNAc) is added to the hydroxyl group of select serine or threonine residues of a protein by the family of UDP-GalNAc:Polypeptide N-Acetylgalactosaminyltransferases (GalNAc-Ts; EC 2.4.1.41). Previous studies demonstrate that O-glycosylation plays essential roles in protein function, cell-cell interactions, cell polarity and differentiation in developing mouse and Drosophila embryos. Although this type of protein modification is highly conserved among higher eukaryotes, little is known about this family of enzymes in echinoderms, basal deuterostome relatives of the chordates...
2017: PloS One
https://www.readbyqxmd.com/read/28448574/fusion-expression-of-occludin-extracellular-loops-and-an-%C3%AE-helical-bundle-a-new-research-model-for-tight-junction
#10
Xiaojing Chi, Xia Zhao, Wei Wang, Yuqiang Niu, Min Cheng, Xiuying Liu, Sheng Cui, Wei Yang
Tight junctions (TJs) are the outermost structures of intercellular junctions and are highly specialized membrane domains involved in many important cellular processes. However, most TJ proteins are four-time transmembrane proteins and are difficult to express in their correct soluble form, which limits their functional study and therapeutic application. Human occludin (OCLN) is a major component of TJs and an essential co-receptor for hepatitis C virus (HCV) cell entry. To explore expression strategy for recombinant TJ proteins possessing integrated and functional extracellular loops, OCLN was here used as a model molecule, and several prokaryotic fusion constructs were designed by docking OCLN extracellular loops (ECLs) to HIV-1 gp41 NHR and CHR six-helical bundle (6HV1); then their biophysical features and anti-HCV activity were evaluated...
2017: PloS One
https://www.readbyqxmd.com/read/28448529/a-genome-wide-analysis-of-the-rna-guided-silencing-pathway-in-coffee-reveals-insights-into-its-regulatory-mechanisms
#11
Christiane Noronha Fernandes-Brum, Pâmela Marinho Rezende, Thales Henrique Cherubino Ribeiro, Raphael Ricon de Oliveira, Thaís Cunha de Sousa Cardoso, Laurence Rodrigues do Amaral, Matheus de Souza Gomes, Antonio Chalfun-Junior
microRNAs (miRNAs) are derived from self-complementary hairpin structures, while small-interfering RNAs (siRNAs) are derived from double-stranded RNA (dsRNA) or hairpin precursors. The core mechanism of sRNA production involves DICER-like (DCL) in processing the smallRNAs (sRNAs) and ARGONAUTE (AGO) as effectors of silencing, and siRNA biogenesis also involves action of RNA-Dependent RNA Polymerase (RDR), Pol IV and Pol V in biogenesis. Several other proteins interact with the core proteins to guide sRNA biogenesis, action, and turnover...
2017: PloS One
https://www.readbyqxmd.com/read/28448249/relationships-among-exercise-beliefs-physical-exercise-and-subjective-wellbeing-evidence-from-korean-middle-aged-adults
#12
Sukkyung You, Kyulee Shin
Physically active leisure plays a key role in successful ageing. Exercise beliefs are one of the key predictors of exercise behavior. We used structural equation modeling to assess the plausibility of a conceptual model specifying hypothesized linkages among middle aged adults perceptions of (a) exercise beliefs, (b) physical exercise behavior, and (c) subjective well-being. Four hundred and two adults in South Korea responded to survey questions designed to capture the above constructs. We found that physically active leisure participation leads to subjective well-being for both middle aged males and females...
April 27, 2017: Health Care for Women International
https://www.readbyqxmd.com/read/28448138/idp-specific-force-field-ff14idpsff-improves-the-conformer-sampling-of-intrinsically-disordered-proteins
#13
Dong Song, Ray Luo, Hai-Feng Chen
Intrinsically disordered proteins (IDPs) or intrinsically disordered regions have not fixed tertiary structure, but play key roles in signal regulation, molecule recognition, and drug target. However it is difficult to study the structure and function of IDPs by traditional experimental methods because of their diverse conformations. Limitations of current generic protein force fields and solvent models were reported in the previous simulations of IDPs. We have also explored to overcome these limitations by developing ff99IDPs and ff14IDPs force fields to correct the dihedral distribution for eight disordered promoting residues often observed in IDPs and found encouraging improvements...
April 27, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28448052/an-in-vitro-organ-culture-model-of-the-murine-intervertebral-disc
#14
Jennifer W Liu, Kevin H Lin, Christian Weber, Sameer Bhalla, Sean Kelso, Kaixi Wang, Simon Y Tang
Intervertebral disc (IVD) degeneration is a significant contributor to low back pain. The IVD is a fibrocartilaginous joint that serves to transmit and dampen loads in the spine. The IVD consists of a proteoglycan-rich nucleus pulposus (NP) and a collagen-rich annulus fibrosis (AF) sandwiched by cartilaginous end-plates. Together with the adjacent vertebrae, the vertebrae-IVD structure forms a functional spine unit (FSU). These microstructures contain unique cell types as well as unique extracellular matrices...
April 11, 2017: Journal of Visualized Experiments: JoVE
https://www.readbyqxmd.com/read/28447814/undetected-scars-self-criticism-attachment-and-romantic-relationships-among-otherwise-well-functioning-childhood-sexual-abuse-survivors
#15
Dana Lassri, Patrick Luyten, Peter Fonagy, Golan Shahar
BACKGROUND: Studies have consistently demonstrated the negative impact of childhood sexual abuse (CSA) on intimate relationships. The majority of studies have focused on revictimization in at-risk or clinical samples, with very few addressing the impact of CSA on otherwise well-functioning adults and even fewer investigating the psychological mechanisms involved. To fill this gap, this study focuses on the effect of CSA on "normative" (nonviolent) romantic relationships in otherwise well-functioning young women, and the mediating role of personality dimension self-criticism and attachment in this regard...
April 27, 2017: Psychological Trauma: Theory, Research, Practice and Policy
https://www.readbyqxmd.com/read/28447789/exploring-the-role-of-n-6-substituents-in-potent-dual-acting-5-c-ethyl-tetrazolyl-adenosine-derivatives-synthesis-binding-functional-assays-and-antinociceptive-effects-in-mice
#16
Riccardo Petrelli, Mirko Scortichini, Sonja Kachler, Serena Boccella, Carmen Cerchia, Ilaria Torquati, Fabio Del Bello, Daniela Salvemini, Ettore Novellino, Livio Luongo, Sabatino Maione, Kenneth A Jacobson, Antonio Lavecchia, Karl-Norbert Klotz, Loredana Cappellacci
Structural determinants of affinity of N(6)-substituted-5'-C-(ethyl-tetrazol-2-yl)-adenosine and 2-chloro-adenosine derivatives at adenosine receptor (AR) subtypes were studied with binding and molecular modeling. Small N(6)-cycloalkyl and 3-halo-benzyl groups furnished potent dual acting A1AR agonists and A3AR antagonists. 4 was the most potent dual acting human (h) A1AR agonist (Ki = 0.45 nM) and A3AR antagonist (Ki = 0.31 nM) and highly selective versus A2A; 11 and 26 were most potent at both h and rat (r) A3AR...
April 27, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28447693/modulating-the-electronic-structure-of-lanthanum-manganite-by-ruthenium-doping-for-enhanced-photocatalytic-water-oxidation
#17
Anindya Sundar Patra, Gaurangi Gogoi, Ranjan Kumar Sahu, Mohammad Qureshi
To the best of our knowledge this is the first report in which ruthenium doped polycrystalline lanthanum manganite, LaMn1-xRuxO3 (x = 0.0-0.4), having high efficacy for oxygen production from water without the use of any sacrificial reagent or co-catalyst and as an efficient photocatalyst for dye degradation is reported. Ruthenium doping alters the crystal structure of the parent LaMnO3 (LMO) due to the induced chemical pressure of the larger Ru(4+) ion, which facilitates a bond angle of 180° in the Mn(3+)-O-Mn(4+) plane resulting in the easy extraction of a photo-generated charge carrier population leading to enhanced photocatalytic activity...
April 27, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28447449/molecular-simulations-of-mixed-lipid-bilayers-with-sphingomyelin-glycerophospholipids-and-cholesterol
#18
Indrani Bera, Jeffery B Klauda
The highly-diversified composition of lipid bilayers across living cells is crucial for many biological processes. Lipid bilayers mainly consist of phosphatidylcholines (PC), phosphatidylethanolamines (PE), sphingomyelin (SM) and cholesterol, with eukaryotic membranes containing high percentage of sphingomyelin and cholesterol. In this study, we have modeled bilayers with different concentration of PC, PE and SM to understand the changes in bilayer properties with varied SM concentrations. In addition, membrane models with 33% cholesterol have been simulated to understand the influence of cholesterol...
April 27, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28447310/asymptotics-of-aic-bic-and-rmsea-for-model-selection-in-structural-equation-modeling
#19
Po-Hsien Huang
Model selection is a popular strategy in structural equation modeling (SEM). To select an "optimal" model, many selection criteria have been proposed. In this study, we derive the asymptotics of several popular selection procedures in SEM, including AIC, BIC, the RMSEA, and a two-stage rule for the RMSEA (RMSEA-2S). All of the results are derived under weak distributional assumptions and can be applied to a wide class of discrepancy functions. The results show that both AIC and BIC asymptotically select a model with the smallest population minimum discrepancy function (MDF) value regardless of nested or non-nested selection, but only BIC could consistently choose the most parsimonious one under nested model selection...
April 26, 2017: Psychometrika
https://www.readbyqxmd.com/read/28447297/generating-neuron-geometries-for-detailed-three-dimensional-simulations-using-anamorph
#20
Konstantin Mörschel, Markus Breit, Gillian Queisser
Generating realistic and complex computational domains for numerical simulations is often a challenging task. In neuroscientific research, more and more one-dimensional morphology data is becoming publicly available through databases. This data, however, only contains point and diameter information not suitable for detailed three-dimensional simulations. In this paper, we present a novel framework, AnaMorph, that automatically generates water-tight surface meshes from one-dimensional point-diameter files. These surface triangulations can be used to simulate the electrical and biochemical behavior of the underlying cell...
April 26, 2017: Neuroinformatics
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