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https://www.readbyqxmd.com/read/27936518/computational-investigation-of-proton-transfer-pka-shifts-and-ph-optimum-of-protein-dna-and-protein-rna-complexes
#1
Yunhui Peng, Emil Alexov
Protein-nucleic acid interactions play a crucial role in many biological processes. This work investigates the changes of pKa values and protonation states of ionizable groups (including nucleic acid bases) that may occur at protein-nucleic acid binding. Taking advantage of the recently developed pKa calculation tool DelphiPka, we utilize the large protein-nucleic acid interaction database (NPIDB database) to model pKa shifts caused by binding. It has been found that the protein's interfacial basic residues experience favorable electrostatic interactions while the protein acidic residues undergo proton uptake to reduce the energy cost upon the binding...
December 9, 2016: Proteins
https://www.readbyqxmd.com/read/27936513/probing-the-structural-dynamics-of-the-crispr-cas9-rna-guided-dna-cleavage-system-by-coarse-grained-modeling
#2
Wenjun Zheng
In the adaptive immune systems of many bacteria and archaea, the Cas9 endonuclease forms a complex with specific guide/scaffold RNA to identify and cleave complementary target sequences in foreign DNA. This DNA targeting machinery has been exploited in numerous applications of genome editing and transcription control. However, the molecular mechanism of the Cas9 system is still obscure. Recently, high-resolution structures have been solved for Cas9 in different structural forms (e.g., unbound forms, RNA-bound binary complexes, and RNA-DNA-bound tertiary complexes, corresponding to an inactive state, a pre-target-bound state, and a cleavage-competent or product state), which offered key structural insights to the Cas9 mechanism...
December 9, 2016: Proteins
https://www.readbyqxmd.com/read/27936497/pro-inflammatory-cytokine-ifn%C3%AE-and-microbiome-derived-metabolites-dictate-epigenetic-switch-between-foxp3-isoforms-in-celiac-disease-regulation-of-foxp3-isoforms-in-celiac-disease
#3
Gloria Serena, Shu Yan, Stephanie Camhi, Shilpi Patel, Rosiane S Lima, Anna Sapone, Maureen M Leonard, Rupa Mukherjee, Barbara J Nath, Karen M Lammers, Alessio Fasano
Celiac disease (CD) is an autoimmune enteropathy triggered by gluten and characterized by a strong Th1/Th17 immune response in the small intestine. Treg cells are CD4(+) CD25(++) FOXP3(+) cells that regulate the immune response. Conversely to its counterpart, FOXP3 full length (FL), the alternatively spliced isoform FOXP3 Δ2 cannot properly down-regulate Th17 driven immune response. Since the active state of CD has been associated with impairments in Treg cell function, we aimed at determining whether imbalances between FOXP3 isoforms may be associated with the disease...
December 9, 2016: Clinical and Experimental Immunology
https://www.readbyqxmd.com/read/27936480/treatment-of-fulminant-acute-hepatitis-b-with-nucles-t-id-analogues-is-safe-and-does-not-lead-to-secondary-chronification-of-hepatitis-b
#4
C Jochum, F Maischack, O E Anastasiou, J Verheyen, J Timm, L Bechmann, G Gerken, A Canbay
Background: Acute hepatitis B virus (HBV) infection is still a major cause of acute liver failure (ALF), necessitating a high rate of emergency liver transplantation (LTx). Acute infection is followed by high viral replication rates leading to hepatocyte death and, ultimately, ALF. The objective of treating HBV-induced ALF thus is to eliminate, or significantly suppress, HBV replication and therefore reduce cell death and support regeneration. Objective: In this retrospective study, we want to evaluate the timing, the safety, and the long-term virological outcome of this approach...
December 2016: Zeitschrift Für Gastroenterologie
https://www.readbyqxmd.com/read/27936411/a-network-analysis-of-dsm-5-posttraumatic-stress-disorder-symptoms-and-correlates-in-u-s-military-veterans
#5
Cherie Armour, Eiko I Fried, Marie K Deserno, Jack Tsai, Robert H Pietrzak
OBJECTIVE: Recent developments in psychometrics enable the application of network models to analyze psychological disorders, such as PTSD. Instead of understanding symptoms as indicators of an underlying common cause, this approach suggests symptoms co-occur in syndromes due to causal interactions. The current study has two goals: (1) examine the network structure among the 20 DSM-5 PTSD symptoms, and (2) incorporate clinically relevant variables to the network to investigate whether PTSD symptoms exhibit differential relationships with suicidal ideation, depression, anxiety, physical functioning/quality of life (QoL), mental functioning/QoL, age, and sex...
November 27, 2016: Journal of Anxiety Disorders
https://www.readbyqxmd.com/read/27936397/design-of-a-new-comprehensive-continuous-monitoring-system-for-environmental-radioactive-aerosol
#6
Hongkun Xu, Zihan Huang, Ge Wang, Changli Mu, Yin Yin
In order to comprehensive monitoring the radioactive isotopes from nuclear facilities, we developed a dual channel spectral monitoring instrument, and realized synchronous measurement for alpha, beta and gamma radionuclides. This article focuses on how to ensure its accuracy, stability and efficiency. First is the accuracy. In order to lower the interference of environmental and detector performance variation, the zero phase shift filter was designed to ensure the accuracy of characteristic peak position. Lorenz fitting algorithm was designed to reduce the effect of spectral low-energy tailing...
December 1, 2016: Applied Radiation and Isotopes
https://www.readbyqxmd.com/read/27936369/the-association-between-body-image-and-behavioral-misperception-bibm-and-alcohol-use-among-high-school-girls-results-from-the-2013-youth-risk-behavioral-survey
#7
Anna C Schlissel, Taylort T Schwartz, Margie R Skeer
OBJECTIVE: The need to be thin is pervasive in adolescent culture and is associated with increased risk outcomes among adolescent girls. Body image and behavioral misperception (BIBM) exists when there is a disconnect between body weight perception and actions taken related to perceived weight status. To understand this further, we examined the relationship between BIBM and alcohol use among high school girls in the United States. METHOD: Using 2013 Youth Risk Behavior Survey data, we ran survey-weighted multivariable logistic regression analyses to examine BIBM and (a) lifetime alcohol use, (b) current alcohol use, and (c) current heavy episodic drinking (≥5 drinks in a few hours) among female high school students (N = 6,579)...
January 2017: Journal of Studies on Alcohol and Drugs
https://www.readbyqxmd.com/read/27936347/the-infectious-intracellular-lifestyle-of-salmonella-enterica-relies-on-the-adaptation-to-nutritional-conditions-within-the-salmonella-containing-vacuole
#8
Lautaro Diacovich, Lucía Lorenzi, Mauro Tomassetti, Stéphane Méresse, Hugo Gramajo
Salmonella enterica serovar Typhimurium (S. Typhimurium) is a Gram-negative pathogen that causes various host-specific diseases. During their life cycle, Salmonellae survive frequent exposures to a variety of environmental stresses, e.g. carbon-source starvation. The virulence of this pathogen relies on its ability to establish a replicative niche, named Salmonella-containing vacuole, inside host cells. However, the microenvironment of the SCV and the bacterial metabolic pathways required during infection are largely undefined...
December 9, 2016: Virulence
https://www.readbyqxmd.com/read/27936343/assessing-bioequivalence-and-drug-interchangeability
#9
Meng Chen, Shein-Chung Chow
As indicated by the United States Food and Drug Administration (FDA), approved generic drug products can be used as substitute for their respective innovative drug products. FDA, however, does not indicate that two generic copies of the same innovative drug can be used interchangeably, even though they have been shown to be bioequivalent to the same innovative drug product. As more and more generic drug products become available in the market place, it is a concern whether these approved generic drug products have the same quality, safety/efficacy and hence can be used interchangeably...
December 9, 2016: Journal of Biopharmaceutical Statistics
https://www.readbyqxmd.com/read/27936319/a-unique-blend-of-2-fluorenyl-2-anthracene-and-2-anthryl-2-anthracence-showing-white-emission-and-high-charge-mobility
#10
Mengyun Chen, Yang Zhao, Lijia Yan, Shuai Yang, Yanan Zhu, Imran Murtaza, Gufeng He, Hong Meng, Wei Huang
White-light-emitting materials with high mobility are necessary for organic white-light-emitting transistors, which can be used for self-driven OLED displays or OLED lighting. In this study, we combined two materials with similar structures-2-fluorenyl-2-anthracene (FlAnt) with blue emission and 2-anthryl-2-anthracence (2A) with greenish-yellow emission-to fabricate OLED devices, which showed unusual solid-state white-light emission with the CIE coordinates (0.33, 0.34) at 10 V. The similar crystal structures ensured that the OTFTs based on mixed FlAnt and 2A showed high mobility of 1...
December 9, 2016: Angewandte Chemie
https://www.readbyqxmd.com/read/27936312/synthesis-characterization-and-computational-analysis-of-the-dialanate-dianion-h3-al-alh3-2-a-valence-isoelectronic-analogue-of-ethane
#11
Simon J Bonyhady, Nicole Holzmann, Gernot Frenking, Andreas Stasch, Cameron Jones
The first example of a well-defined binary, low-oxidation-state aluminum hydride species that is stable at ambient temperature, namely the dianion in [{((Dep) Nacnac)Mg}2 (μ-H)]2 [H3 Al-AlH3 ] ((Dep) Nacnac=[(DepNCMe)2 CH](-) , Dep=2,6-diethylphenyl), has been prepared via a magnesium(I) reduction of the alanate complex, ((Dep) Nacnac)Mg(μ-H)3 AlH(NEt3 ). An X-ray crystallographic analysis has shown the compound to be a contact ion complex, which computational studies have revealed to be the source of the stability of the aluminum(II) dianion...
December 9, 2016: Angewandte Chemie
https://www.readbyqxmd.com/read/27936306/hybrid-polymer-garnet-electrolyte-with-a-small-interfacial-resistance-for-lithium-ion-batteries
#12
Yutao Li, Biyi Xu, Henghui Xu, Huanan Duan, Xujie Lü, Sen Xin, Weidong Zhou, Leigang Xue, Gengtao Fu, Arumugam Manthiram, John B Goodenough
Li7 La3 Zr2 O12 -based Li-rich garnets react with water and carbon dioxide in air to form a Li-ion insulating Li2 CO3 layer on the surface of the garnet particles, which results in a large interfacial resistance for Li-ion transfer. Here, we introduce LiF to garnet Li6.5 La3 Zr1.5 Ta0.5 O12 (LLZT) to increase the stability of the garnet electrolyte against moist air; the garnet LLZT-2 wt % LiF (LLZT-2LiF) has less Li2 CO3 on the surface and shows a small interfacial resistance with Li metal, a solid polymer electrolyte, and organic-liquid electrolytes...
December 9, 2016: Angewandte Chemie
https://www.readbyqxmd.com/read/27936292/domain-wall-architecture-in-tetragonal-ferroelectric-thin-films
#13
Gabriele De Luca, Marta D Rossell, Jakob Schaab, Nathalie Viart, Manfred Fiebig, Morgan Trassin
Non-Ising-like 180° ferroelectric domain wall architecture and domain distribution in tetragonal PbZrx Ti1-x O3 thin films are probed using a combination of optical second harmonic generation and scanning transmission electron microscopy. In the remnant state, a specific nonlinear optical signature of tilted 180° domain walls corresponding to a mixed Ising-Néel-type rotation of polarization across the wall is shown.
December 9, 2016: Advanced Materials
https://www.readbyqxmd.com/read/27936270/the-relative-contribution-of-noise-and-adaptation-to-competition-during-tri-stable-motion-perception
#14
Andrew Isaac Meso, James Rankin, Olivier Faugeras, Pierre Kornprobst, Guillaume S Masson
Animals exploit antagonistic interactions for sensory processing and these can cause oscillations between competing states. Ambiguous sensory inputs yield such perceptual multistability. Despite numerous empirical studies using binocular rivalry or plaid pattern motion, the driving mechanisms behind the spontaneous transitions between alternatives remain unclear. In the current work, we used a tristable barber pole motion stimulus combining empirical and modeling approaches to elucidate the contributions of noise and adaptation to underlying competition...
December 1, 2016: Journal of Vision
https://www.readbyqxmd.com/read/27936212/effect-of-simultaneous-bilingualism-on-speech-intelligibility-across-different-masker-types-modalities-and-signal-to-noise-ratios-in-school-age-children
#15
Rachel Reetzke, Boji Pak-Wing Lam, Zilong Xie, Li Sheng, Bharath Chandrasekaran
Recognizing speech in adverse listening conditions is a significant cognitive, perceptual, and linguistic challenge, especially for children. Prior studies have yielded mixed results on the impact of bilingualism on speech perception in noise. Methodological variations across studies make it difficult to converge on a conclusion regarding the effect of bilingualism on speech-in-noise performance. Moreover, there is a dearth of speech-in-noise evidence for bilingual children who learn two languages simultaneously...
2016: PloS One
https://www.readbyqxmd.com/read/27936197/vascular-tone-regulation-induced-by-c-type-natriuretic-peptide-differences-in-endothelium-dependent-and-independent-mechanisms-involved-in-normotensive-and-spontaneously-hypertensive-rats
#16
Carolina Caniffi, Flavia M Cerniello, María N Gobetto, María L Sueiro, María A Costa, Cristina Arranz
Given that the role of C-type natriuretic peptide (CNP) in the regulation of vascular tone in hypertensive states is unclear, we hypothesized that impaired response of the nitric oxide system to CNP in spontaneously hypertensive rats (SHR) could affect vascular relaxation induced by the peptide in this model of hypertension, and that other endothelial systems or potassium channels opening could also be involved. We examined the effect of CNP on isolated SHR aortas, and the hindlimb vascular resistance (HVR) in response to CNP administration compared to normotensive rats...
2016: PloS One
https://www.readbyqxmd.com/read/27936186/maternal-separation-impairs-cocaine-induced-behavioural-sensitization-in-adolescent-mice
#17
Irene Gracia-Rubio, Olga Valverde, Elena Martinez-Laorden, Maria Moscoso-Castro, M Victoria Milanés, M Luisa Laorden
Adverse early-life conditions induce persistent disturbances that give rise to negative emotional states. Therefore, early life stress confers increased vulnerability to substance use disorders, mainly during adolescence as the brain is still developing. In this study, we investigated the consequences of maternal separation, a model of maternal neglect, on the psychotropic effects of cocaine and the neuroplasticity of the dopaminergic system. Our results show that mice exposed to maternal separation displayed attenuated behavioural sensitization, while no changes were found in the rewarding effects of cocaine in the conditioned place preference paradigm and in the reinforcing effects of cocaine in the self-administration paradigm...
2016: PloS One
https://www.readbyqxmd.com/read/27936185/hedgehog-signaling-overcomes-an-ezh2-dependent-epigenetic-barrier-to-promote-cholangiocyte-expansion
#18
Nidhi Jalan-Sakrikar, Thiago M De Assuncao, Jie Lu, Luciana L Almada, Gwen Lomberk, Martin E Fernandez-Zapico, Raul Urrutia, Robert C Huebert
BACKGROUND & AIMS: Developmental morphogens play an important role in coordinating the ductular reaction and portal fibrosis occurring in the setting of cholangiopathies. However, little is known about how membrane signaling events in ductular reactive cells (DRCs) are transduced into nuclear transcriptional changes to drive cholangiocyte maturation and matrix deposition. Therefore, the aim of this study was to investigate potential mechanistic links between cell signaling events and epigenetic regulators in DRCs...
2016: PloS One
https://www.readbyqxmd.com/read/27936175/effects-of-neonatal-dexamethasone-exposure-on-adult-neuropsychiatric-traits-in-rats
#19
Nathanael J Yates, Donald Robertson, Jennifer Rodger, Mathew T Martin-Iverson
The effects of early life stress in utero or in neonates has long-term consequences on hypothalamic-pituitary-adrenal (HPA) stress axis function and neurodevelopment. These effects extend into adulthood and may underpin a variety of mental illnesses and be related to various developmental and cognitive changes. We examined the potential role of neonatal HPA axis activation on adult psychopathology and dopamine sensitivity in the mature rat using neonatal exposure to the synthetic glucocorticoid receptor agonist and stress hormone, dexamethasone...
2016: PloS One
https://www.readbyqxmd.com/read/27936169/effects-of-supplementation-of-the-synbiotic-ecologic%C3%A2-825-fos-p6-on-intestinal-barrier-function-in-healthy-humans-a-randomized-controlled-trial
#20
E Wilms, J Gerritsen, H Smidt, I Besseling-van der Vaart, G T Rijkers, A R Garcia Fuentes, A A M Masclee, F J Troost
BACKGROUND AND AIMS: Probiotics, prebiotics and synbiotics have been suggested as dietary strategies to improve intestinal barrier function. This study aimed to assess the effect of two weeks synbiotic supplementation on intestinal permeability under basal and stressed conditions. Secondary aims were the assessment of two weeks synbiotic supplementation on systemic immune function and gastrointestinal symptoms including defecation pattern. DESIGN: Twenty healthy adults completed a double-blind, controlled, randomized, parallel design study...
2016: PloS One
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