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https://www.readbyqxmd.com/read/29334318/molecular-dynamics-perspective-on-the-thermal-stability-of-mandelate-racemase
#1
Jiali Gu, Hongfei Tong, Laiyu Sun, Zhijian Lin
Mandelate racemase from Pseudomonas putida is a promising candidate for the dynamic kinetic resolution of α-hydroxy carboxylic acids. In the present study, the thermal stability of mandelate racemase was investigated through molecular dynamics simulations in the temperature range of 303 K to 363 K, which can guide the design of mandelate racemase with higher stability. The basic features such as radius of gyration, surface accessibility, and secondary structure content suggested the instability of mandelate racemase at high temperatures...
January 15, 2018: Journal of Biomolecular Structure & Dynamics
https://www.readbyqxmd.com/read/29334086/n-doped-graphene-supported-pdcu-nanoalloy-as-efficient-catalyst-for-reducing-cr-vi-by-formic-acid
#2
Shuangzhi Li, Lijun Liu, Qing Zhao, Chiyang He, Weikai Liu
Reducing Cr(vi) to Cr(iii) with formic acid is desirable for environmental protection, but the sluggish kinetics limits its practical application, which currently motivates the intensive study of efficient catalysts for this redox reaction. Here bimetallic PdCu nanoalloy (∼5 nm in size) supported by N-doped graphene was synthesized through a one-pot hydrothermal process. The catalytic activity of PdCu nanoalloy highly depends on the Pd/Cu atomic ratio and N-doped graphene support. The obtained Pd6Cu4/NG shows superior catalysis towards the Cr(vi) reduction by formic acid with a high kinetic constant (kn = 23...
January 15, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29329488/genetic-and-molecular-insights-into-genotype-phenotype-relationships-in-osteopathia-striata-with-cranial-sclerosis-oscs-through-the-analysis-of-novel-mouse-wtx-mutant-alleles
#3
Glenda Comai, Agnès Boutet, Kristina Tanneberger, Filippo Massa, Ana-Sofia Rocha, Aurelie Charlet, Clara Panzolini, Fariba Jian Motamedi, Robert Brommage, Wolfgang Hans, Thomas Funck-Brentano, Martin Hrabe de Angelis, Christine Hartmann, Martine Cohen-Solal, Jürgen Behrens, Andreas Schedl
The X-linked WTX/AMER1 protein forms an important component of the β-catenin destruction complex that can both enhance and suppress canonical β-catenin signalling. Somatic mutations in WTX/AMER1 have been found in a proportion of the pediatric kidney cancer Wilms' tumour. By contrast, germline mutations cause the severe sclerosing bone dysplasia osteopathia striata congenita with cranial sclerosis (OSCS), a condition usually associated with fetal or perinatal lethality in male patients. Here we addressed the developmental and molecular function of WTX by generating two novel mouse alleles...
January 12, 2018: Journal of Bone and Mineral Research: the Official Journal of the American Society for Bone and Mineral Research
https://www.readbyqxmd.com/read/29327609/cross-bridge-mechanism-of-residual-force-enhancement-after-stretching-in-a-skeletal-muscle
#4
Youjiro Tamura
A muscle model that uses a modified Langevin equation with actomyosin potentials was used to describe the residual force enhancement after active stretching. Considering that the new model uses cross-bridge theory to describe the residual force enhancement, it is different from other models that use passive stretching elements. Residual force enhancement was simulated using a half sarcomere comprising 100 myosin molecules. In this paper, impulse is defined as the integral of an excess force from the steady isometric force over the time interval for which a stretch is applied...
January 12, 2018: Computer Methods in Biomechanics and Biomedical Engineering
https://www.readbyqxmd.com/read/29326103/understanding-the-complex-relationship-between-critical-thinking-and-science-reasoning-among-undergraduate-thesis-writers
#5
Jason E Dowd, Robert J Thompson, Leslie A Schiff, Julie A Reynolds
Developing critical-thinking and scientific reasoning skills are core learning objectives of science education, but little empirical evidence exists regarding the interrelationships between these constructs. Writing effectively fosters students' development of these constructs, and it offers a unique window into studying how they relate. In this study of undergraduate thesis writing in biology at two universities, we examine how scientific reasoning exhibited in writing (assessed using the Biology Thesis Assessment Protocol) relates to general and specific critical-thinking skills (assessed using the California Critical Thinking Skills Test), and we consider implications for instruction...
2018: CBE Life Sciences Education
https://www.readbyqxmd.com/read/29324326/studying-the-recognition-mechanism-of-tcar-and-ssdna-using-molecular-dynamic-simulations
#6
Jing-Rong Fan, Hong-Xing Zhang, Yu-Guang Mu, Qing-Chuan Zheng
The transcription regulator teicoplanin-associate locus regulator (TcaR) plays a vital role in interfering with ssDNA replication and resisting ssDNA phage invasion. Although recent studies demonstrated that TcaR had strong interaction with ssDNA, the dynamics and interaction mechanism of dimeric TcaR bound to ssDNA have not been rationalized at the atomic level. In our study, MD simulations combined with MM-GB/SA calculations were employed to study recognition mechanism between TcaR and ssDNA. The results illuminate that electrostatic interaction is the main driving force for the binding process...
December 5, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29324256/dft-td-semiempirical-study-on-the-structural-and-electronic-properties-and-absorption-spectra-of-supramolecular-fullerene-porphyrine-metalloporphyrine-triads-based-dye-sensitized-solar-cells
#7
M Rezvani, M Darvish Ganji, S Jameh-Bozorghi, A Niazi
In the present work density functional theory (DFT) and time-dependent semiempirical ZNIDO/S (TD-ZNIDO/S) methods have been used to investigate the ground state geometries, electronic structures and excited state properties of triad systems. The influences of the type of metal in the porphyrin ring, change in bridge position and porphyrine-ZnP duplicate on the energies of frontier molecular orbital and UV-Vis spectra has been studied. Geometry optimization, the energy levels and electron density of the Highest Occupied Molecular Orbital (HOMO) and the Lowest Unoccupied Molecular Orbital (LUMO), chemical hardness (η), electrophilicity index (ω), electron accepting power (ω+) were calculated using ZINDO/S method to predict which molecule is the most efficient with a great capability to be used as a triad molecule in solar industry...
January 2, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29323122/effect-of-rhythmic-auditory-cueing-on-parkinsonian-gait-a-systematic-review-and-meta-analysis
#8
Shashank Ghai, Ishan Ghai, Gerd Schmitz, Alfred O Effenberg
The use of rhythmic auditory cueing to enhance gait performance in parkinsonian patients' is an emerging area of interest. Different theories and underlying neurophysiological mechanisms have been suggested for ascertaining the enhancement in motor performance. However, a consensus as to its effects based on characteristics of effective stimuli, and training dosage is still not reached. A systematic review and meta-analysis was carried out to analyze the effects of different auditory feedbacks on gait and postural performance in patients affected by Parkinson's disease...
January 11, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29322567/oral-delivery-system-enhanced-the-bioavailability-of-stilbenes-resveratrol-and-pterostilbene
#9
REVIEW
Ru-Min Peng, Guan-Ru Lin, Yuwen Ting, Jing-Yu Hu
Stilbenes are a large group of compounds with the C6 C2 C6 skeleton, in which two aromatic rings are connected by an ethylene bridge. Resveratrol and its structural analog, pterostilbene, are by far the two most widely researched stilbenes in terms of their beneficial bioactivities. However, the bioefficacy of these compounds is greatly reduced when consumed orally due to their poor aqueous solubility, which leads to poor bioavailability. To overcome the limitation, strategies improving their solubility, absorption, and systemic concentration were applied when designing a suitable edible delivery system...
January 11, 2018: BioFactors
https://www.readbyqxmd.com/read/29322529/therapeutic-action-and-aesthetic-experience-resonance-and-reorganization
#10
Joan Wexler
Is there an aesthetic dimension to therapeutic action? The author proposes that while the arts, in this example, dance, can serve as a bridge to give form and expression to the ineffable for both the artist and the observer, language, especially metaphorical language, in the context of a resonating therapeutic relationship, similarly gives form and enhanced meaning to what has been felt but not yet understood. Even if the content is painful, the process of mutually creating a common language that reorganizes the mind is aesthetically pleasing...
January 11, 2018: Journal of Clinical Psychology
https://www.readbyqxmd.com/read/29321260/mechanobiologically-optimized-3d-titanium-mesh-scaffolds-enhance-bone-regeneration-in-critical-segmental-defects-in-sheep
#11
Anne-Marie Pobloth, Sara Checa, Hajar Razi, Ansgar Petersen, James C Weaver, Katharina Schmidt-Bleek, Markus Windolf, Andras Á Tatai, Claudia P Roth, Klaus-Dieter Schaser, Georg N Duda, Philipp Schwabe
Three-dimensional (3D) titanium-mesh scaffolds offer many advantages over autologous bone grafting for the regeneration of challenging large segmental bone defects. Our study supports the hypothesis that endogenous bone defect regeneration can be promoted by mechanobiologically optimized Ti-mesh scaffolds. Using finite element techniques, two mechanically distinct Ti-mesh scaffolds were designed in a honeycomb-like configuration to minimize stress shielding while ensuring resistance against mechanical failure...
January 10, 2018: Science Translational Medicine
https://www.readbyqxmd.com/read/29317735/syntaxins-on-granules-promote-docking-of-granules-via-interactions-with-munc18
#12
Maria Borisovska
SNAREs and SNARE-binding accessory proteins are believed to be central molecular components of neurotransmitter release, although the precise sequence of molecular events corresponding to distinct physiological states is unclear. The mechanism of docking of vesicles to the plasma membrane remains elusive, as the anchoring protein residing on vesicles is unknown. Here I show that targeting small amounts of syntaxin to granules by transmembrane domain alteration leads to a substantial enhancement of syntaxin clustering beneath granules, as well as of morphological granule docking...
January 9, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29317344/redox-responsive-micelles-from-disulfide-bond-bridged-hyaluronic-acid-tocopherol-succinate-for-the-treatment-of-melanoma
#13
Junping Xia, Yunai Du, Liping Huang, Birendra Chaurasiya, Jiaheng Tu, Thomas J Webster, Chunmeng Sun
Nanotechnology-based chemotherapy is efficient in cancer treatment due to the targeted delivery of small molecules via nano-carriers, which are usually regarded as "inert". However, nano-materials are more preferred as carriers since many cause synergistic anti-tumor effects along with the drug cargo. In this study, a "bioactive" tocopherol succinate (TOS) was grafted to hyaluronic acid (HA) via of disulfide bonds to obtain HA-ss-TOS conjugates which can assemble into nano-micelles but dissociate when exposed to reducing environments in vitro and in vivo...
January 6, 2018: Nanomedicine: Nanotechnology, Biology, and Medicine
https://www.readbyqxmd.com/read/29317221/extended-impact-of-pin1-catalytic-loop-phosphorylation-revealed-by-s71e-phosphomimetic
#14
Brendan J Mahoney, Meiling Zhang, John S Zintsmaster, Jeffrey W Peng
Pin1 is a two-domain human protein that catalyzes the cis-trans isomerization of pSer/pThr-Pro (pS/T-P) motifs in numerous cell cycle regulatory proteins. These pS/T-P motifs bind to Pin1's peptidyl-prolyl isomerase (PPIase) domain in a catalytic pocket, between an extended catalytic loop and the PPIase domain core. Previous studies showed that post-translational phosphorylation of S71 in the catalytic loop decreases substrate binding affinity and isomerase activity. To define the origins for these effects, we investigated a phosphomimetic Pin1 mutant, S71E-Pin1, using solution nuclear magnetic resonance (NMR)...
January 6, 2018: Journal of Molecular Biology
https://www.readbyqxmd.com/read/29316940/gamma-delta-%C3%AE-%C3%AE-t-cells-friend-or-foe-in-cancer-development
#15
REVIEW
Yijing Zhao, Chao Niu, Jiuwei Cui
BACKGROUND: γδ T cells are a distinct subgroup of T cells containing T cell receptors (TCRs) γ and TCR δ chains with diverse structural and functional heterogeneity. As a bridge between the innate and adaptive immune systems, γδ T cells participate in various immune responses during cancer progression. Because of their direct/indirect antitumor cytotoxicity and strong cytokine production ability, the use of γδ T cells in cancer immunotherapy has received a lot of attention over the past decade...
January 10, 2018: Journal of Translational Medicine
https://www.readbyqxmd.com/read/29316096/cobalt-bridged-with-ionic-liquid-polymer-on-carbon-nanotube-for-enhanced-oxygen-evolution-reaction-activity
#16
Yuxiao Ding, Alexander Klyushin, Xing Huang, Travis Jones, Detre Teschner, Frank Girgsdies, Tania Rodenas, Robert Schlögl, Saskia Heumann
By taking inspiration from the catalytic properties of single-site catalysts and the enhancement of performance through ionic liquids on metal catalysts, we exploited a scalable way to deliberately place single cobalt ions on carbon nanotube surface bridged by polymerized ionic liquid. Single dispersed cobalt ions coordinated by ionic liquid are used as heterogeneous catalysts for the oxygen evolution reaction (OER). Performance data reveals high activity and stable operation without chemical instability.
January 9, 2018: Angewandte Chemie
https://www.readbyqxmd.com/read/29313675/aggregation-induced-emission-enhancement-from-disilane-bridged-donor-acceptor-donor-luminogens-based-on-the-triarylamine-functionality
#17
Tsukasa Usuki, Masaki Shimada, Yoshinori Yamanoi, Tatsuhiko Ohto, Hirokazu Tada, Hidetaka Kasai, Eiji Nishibori, Hiroshi Nishihara
Six novel donor-acceptor-donor organic dyes containing a Si-Si moiety based on triarylamine functionalities as donor units were prepared by Pd-catalyzed arylation of hydrosilanes. Their photophysical, electrochemical, and structural properties were studied in detail. Most of the compounds showed attractive photoluminescence (PL) and electrochemical properties both in solution and in the solid state because of intramolecular charge transfer (ICT), suggesting these compounds could be useful for electroluminescence (EL) applications...
January 9, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29310222/glucose-bridged-silver-nanoparticle-assemblies-for-highly-sensitive-molecular-recognition-of-sialic-acid-on-cancer-cells-via-surface-enhanced-raman-scattering-spectroscopy
#18
Rong Deng, Jing Yue, Huixin Qu, Lijia Liang, Dan Sun, Jing Zhang, Chongyang Liang, Weiqing Xu, Shuping Xu
The expression levels of glycans on the surfaces of cancer and normal cells show different, however, this difference is not noticeable enough to distinguish them directly. So, herein, based on the targeted molecular recognition of the glycans on cell surfaces by 4-mercaptophenyl boronic acid (MPBA), a novel surface-enhanced Raman scattering (SERS) nanoprobe (glucose-MPBA@AgNPs) was prepared by inducing controllable assembly of MPBA decorated Ag nanoparticles (MPBA@AgNPs) in a certain level via the bridge of glucose to amplify such a limited difference in SERS measurements...
March 1, 2018: Talanta
https://www.readbyqxmd.com/read/29301346/blood-coagulation-factor-x-exerts-differential-effects-on-adenovirus-entry-into-human-lymphocytes
#19
James S Findlay, Graham P Cook, G Eric Blair
It has been proposed that blood coagulation factors, principally factor X (FX), enhance the uptake of human adenovirus type 5 (Ad5) into cultured epithelial cells by bridging the viral hexon capsid protein and cell-surface heparan sulphate proteoglycans (HSPGs). We studied the effects of FX on Ad transduction of lymphoid cell lines (NK92MI, a natural killer cell line; Daudi, a B-cell line and Jurkat, a T-cell line) as well as primary peripheral blood lymphocytes (PBL) and HeLa epithelial cells using either replication-deficient Ad5, or a derivative in which the Ad5 fiber was replaced with that of another Ad type, Ad35, termed Ad5F35...
January 3, 2018: Viruses
https://www.readbyqxmd.com/read/29300496/hepcare-europe-bridging-the-gap-in-the-treatment-of-hepatitis-c-study-protocol
#20
Davina Swan, Walter Cullen, Juan Macias, Cristiana Oprea, Alistair Story, Julian Surey, Peter Vickerman, John S Lambert
BACKGROUND: Hepatitis C (HCV) infection is highly prevalent among people who inject drugs (PWID). Many PWID are unaware of their infection and few have received HCV treatment. Recent developments in treatment offer cure rates >90%. However, the potential of these treatments will only be realised if HCV identification among PWID with linkage to treatment is optimised. This paper describes the Hepcare Europe project, a collaboration between five institutions across four member states (Ireland, UK, Spain, Romania), to develop, implement and evaluate interventions to improve the identification, evaluation and treatment of HCV among PWID...
January 4, 2018: Expert Review of Gastroenterology & Hepatology
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