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https://www.readbyqxmd.com/read/28537726/hot-spotting-with-thermal-scanning-a-ligand-and-structure-independent-assessment-of-target-ligandability
#1
Molly Chilton, Ben Clennell, Fredrik Edfeldt, Stefan Geschwindner
Evaluating the ligandability of a protein target is a key component when defining hit-finding strategies or to prioritize amongst drug targets. Computational as well as biophysical approaches based on nuclear magnetic resonance (NMR) fragment screening are powerful approaches, but suffer from specific constraints that limit their usage. Here, we demonstrate the applicability of high-throughput thermal scanning (HTTS) as a simple and generic biophysical fragment screening method to reproduce assessments from NMR-based screening...
May 24, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28534767/domain-generalization-and-adaptation-using-low-rank-exemplar-svms
#2
Wen Li, Zheng Xu, Dong Xu, Dengxin Dai, Luc Van Gool
Domain adaptation between diverse source and target domains is a challenging research problem, especially in the real-world visual recognition tasks where the images and videos consist of significant variations in viewpoints, illuminations, qualities, etc. In this paper, we propose a new approach for domain generalization and domain adaptation based on exemplar SVMs. Specifically, we decompose the source domain into many subdomains, each of which contains only one positive training sample and all negative samples...
May 16, 2017: IEEE Transactions on Pattern Analysis and Machine Intelligence
https://www.readbyqxmd.com/read/28533904/-this-is-where-it-all-started-the-pivotal-role-of-plc%C3%AE-within-the-sophisticated-process-of-mammalian-reproduction-a-systemic-review
#3
Itai Gat, Raoul Orvieto
Mammalian reproduction is one of the most complex and fascinating biological phenomenon, which aims to transfer maternal and paternal genetic material to the next generation. At the end of oogenesis and spermatogenesis, both haploid gametes contain a single set of chromosomes ready to form the zygote, the first cell of the newly developing individual. The mature oocyte and spermatozoa remain in a quiescent state, during which the oocyte is characterized by nuclear and cytoplasmic arrest, while the spermatozoa necessitates further maturation within the epididymis and female reproductive track prior to egg fertilization...
2017: Basic and Clinical Andrology
https://www.readbyqxmd.com/read/28533637/development-and-validation-of-the-suprathreshold-stochastic-resonance-based-image-processing-method-for-the-detection-of-abdomino-pelvic-tumor-on-pet-ct-scans
#4
Kartik Saroha, Anil Kumar Pandey, Param Dev Sharma, Abhishek Behera, Chetan Patel, Chandrashekhar Bal, Rakesh Kumar
PURPOSE: The detection of abdomino-pelvic tumors embedded in or nearby radioactive urine containing 18F-FDG activity is a challenging task on PET/CT scan. In this study, we propose and validate the suprathreshold stochastic resonance-based image processing method for the detection of these tumors. METHODS: The method consists of the addition of noise to the input image, and then thresholding it that creates one frame of intermediate image. One hundred such frames were generated and averaged to get the final image...
April 2017: Indian Journal of Nuclear Medicine: IJNM: the Official Journal of the Society of Nuclear Medicine, India
https://www.readbyqxmd.com/read/28533337/development-of-a-medium-density-combined-species-snp-array-for-pacific-and-european-oysters-crassostrea-gigas-and-ostrea-edulis
#5
Alejandro P Gutierrez, Frances Turner, Karim Gharbi, Richard Talbot, Natalie R Lowe, Carolina Peñaloza, Mark McCullough, Paulo A Prodöhl, Tim P Bean, Ross D Houston
SNP arrays are enabling tools for high-resolution studies of the genetic basis of complex traits in farmed and wild animals. Oysters are of critical importance in many regions from both an ecological and economic perspective, and oyster aquaculture forms a key component of global food security. The aim of our study was to design a combined-species medium density SNP array for Pacific oyster (C. gigas) and European flat oyster (O. edulis), and to test the performance of this array on farmed and wild populations from multiple locations, with a focus on European populations...
May 22, 2017: G3: Genes—Genomes—Genetics
https://www.readbyqxmd.com/read/28532215/matrix-mechanosensing-from-scaling-concepts-in-omics-data-to-mechanisms-in-the-nucleus-regeneration-and-cancer
#6
Dennis E Discher, Lucas Smith, Sangkyun Cho, Mark Colasurdo, Andrés J García, Sam Safran
Many of the most important molecules of life are polymers. In animals, the most abundant of the proteinaceous polymers are the collagens, which constitute the fibrous matrix outside cells and which can also self-assemble into gels. The physically measurable stiffness of gels, as well as tissues, increases with the amount of collagen, and cells seem to sense this stiffness. An understanding of this mechanosensing process in complex tissues, including fibrotic disease states with high collagen, is now utilizing 'omics data sets and is revealing polymer physics-type, nonlinear scaling relationships between concentrations of seemingly unrelated biopolymers...
May 22, 2017: Annual Review of Biophysics
https://www.readbyqxmd.com/read/28529835/a-new-set-of-microsatellite-primers-for-coelogyne-fimbriata-orchidaceae-and-cross-amplification-in-c-ovalis
#7
Wei-Chang Huang, Kai Jiang, Chao Hu, Yue-E Xiao, Barnabas C Seyler, Yuan-Yuan Li
PREMISE OF THE STUDY: Declining orchid populations have made it necessary to prioritize the study of population structure and genetic diversity for species including Coelogyne fimbriata (Orchidaceae). METHODS AND RESULTS: A biotin-streptavidin capture method was used to construct a microsatellite library for C. fimbriata. A total of 15 polymorphic nuclear microsatellite loci were isolated and characterized using 47 C. fimbriata individuals from two natural populations in China...
May 2017: Applications in Plant Sciences
https://www.readbyqxmd.com/read/28529774/synthesis-and-crystallographic-characterization-of-a-mononuclear-cobalt-iii-complex-possessing-both-thiol-ate-and-thio-ether-donors-reactivity-of-an-thiol-ate-bridged-penta-nuclear-co2ag3-complex-with-iodo-methane
#8
Yosuke Fukuda, Nobuto Yoshinari, Takumi Konno
Treatment of an S-bridged penta-nuclear Ag(I)3Co(III)2 complex, [Ag3{Co(L)}2](3+) [L(3-) = N(CH2NHCH2CH2S(-))3], in which two tris-(thiol-ate)-type mononuclear Co(III) units ([Co(L)]) are bridged by three Ag(I) ions through S atoms, with iodo-methane (CH3I) gave a new Co(III) mononuclear complex, [Co(LMe2)](2+) [LMe2(-) = N(CH2NHCH2CH2S(-))(CH2NHCH2CH2SCH3)2], systematic name: {2-[(bis{[2-(methylsulfanyl)ethyl]aminomethyl}aminomethyl)amino]ethanethiolato}cobalt(III) bis(hexafluoridophosphate). This cationic complex was crystallized with PF6(-) anions to form the title compound, [Co(LMe2)](PF6)2...
May 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28528574/esc-track-a-computer-workflow-for-4-d-segmentation-tracking-lineage-tracing-and-dynamic-context-analysis-of-escs
#9
Laura Fernández-de-Manúel, Covadonga Díaz-Díaz, Daniel Jiménez-Carretero, Miguel Torres, María C Montoya
Embryonic stem cells (ESCs) can be established as permanent cell lines, and their potential to differentiate into adult tissues has led to widespread use for studying the mechanisms and dynamics of stem cell differentiation and exploring strategies for tissue repair. Imaging live ESCs during development is now feasible due to advances in optical imaging and engineering of genetically encoded fluorescent reporters; however, a major limitation is the low spatio-temporal resolution of long-term 3-D imaging required for generational and neighboring reconstructions...
May 1, 2017: BioTechniques
https://www.readbyqxmd.com/read/28528487/role-of-medicines-of-unknown-identity-in-adverse-drug-reaction-related-hospitalizations-in-developing-countries-evidence-from-a-cross-sectional-study-in-a-teaching-hospital-in-the-lao-people-s-democratic-republic
#10
Céline Caillet, Chanvilay Sichanh, Gaëtan Assemat, Myriam Malet-Martino, Agnès Sommet, Haleh Bagheri, Noudy Sengxeu, Niphonh Mongkhonmath, Mayfong Mayxay, Lamphone Syhakhang, Maryse Lapeyre-Mestre, Paul N Newton, Anne Roussin
INTRODUCTION: The health dangers of medicines of unknown identity (MUIs) [loose pharmaceutical units repackaged in individual bags without labelling of their identity] have been suspected in L/MICs. Using visual and analytical tools to identify MUIs, we investigated the frequency of, and factors associated with, adverse drug reaction (ADR)-related hospitalizations in a central hospital in Vientiane Capital, Lao People's Democratic Republic (PDR). METHODS: All unplanned admissions, except for acute trauma and intentional overdose, were prospectively recorded during a 7-week period in 2013, leading to include 453 adults hospitalized for ≥24 h...
May 20, 2017: Drug Safety: An International Journal of Medical Toxicology and Drug Experience
https://www.readbyqxmd.com/read/28528438/herpes-simplex-virus-membrane-fusion
#11
Darin J Weed, Anthony V Nicola
Herpes simplex virus mediates multiple distinct fusion events during infection. HSV entry is initiated by fusion of the viral envelope with either the limiting membrane of a host cell endocytic compartment or the plasma membrane. In the infected cell during viral assembly, immature, enveloped HSV particles in the perinuclear space fuse with the outer nuclear membrane in a process termed de-envelopment. A cell infected with some strains of HSV with defined mutations spread to neighboring cells by a fusion event called syncytium formation...
2017: Advances in Anatomy, Embryology, and Cell Biology
https://www.readbyqxmd.com/read/28528079/the-lateral-habenula-and-the-serotonergic-system
#12
REVIEW
Martin Metzger, Debora Bueno, Leandro B Lima
The habenula (Hb) is an epithalamic structure differentiated into two nuclear complexes, medial (MHb) and lateral habenula (LHb). After decades of relative neglect, interest in the Hb resurged when it was demonstrated that LHb neurons play a key role in encoding disappointments and expectation of punishments. Consistent with such a role, the LHb has been implicated in a broad array of functions and pathologic conditions, notably in mechanisms of stress and pain, as well as in the pathophysiology of mood disorders...
May 17, 2017: Pharmacology, Biochemistry, and Behavior
https://www.readbyqxmd.com/read/28527580/the-function-and-evolution-of-nuclear-receptors-in-insect-embryonic-development
#13
Alys M Cheatle Jarvela, Leslie Pick
Nuclear receptors are a family of transcription factors that are often responsive to small ligands, allowing for efficient gene expression-level responses to a stimulus. The average insect has 21 genes encoding nuclear receptors, whose functions are especially well studied in developmental transitions during the insect life cycle, such as metamorphosis and molting. However, their utility as well-controlled transcriptional regulators also lends them to important roles in embryogenesis, neurogenesis, metabolism, and organogenesis...
2017: Current Topics in Developmental Biology
https://www.readbyqxmd.com/read/28527435/gauge-invariant-theory-for-super-high-resolution-raman-images
#14
Sai Duan, Guangjun Tian, Zhen Xie, Yi Luo
The use of a highly localized plasmonic field has enabled us to achieve sub-nanometer resolution of Raman images for single molecules. The inhomogeneous spatial distribution of plasmonic field has become an important factor that controls the interaction between the light and the molecule. We present here a gauge invariant interaction Hamiltonian (GIIH) to take into account the non-uniformity of the electromagnetic field distribution in the non-relativistic regime. The theory has been implemented for both resonant and nonresonant Raman processes within the sum-over-state framework...
May 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28527296/performances-and-working-mechanism-of-a-novel-polycarboxylate-superplasticizer-synthesized-through-changing-molecular-topological-structure
#15
Xiao Liu, Jianan Guan, Guanghong Lai, Ziming Wang, Jie Zhu, Suping Cui, Mingzhang Lan, Huiqun Li
A novel star-shaped polycarboxylate superplasticizer (SPCE) was synthesized through a simple two-step method. (1)H Nuclear Magnetic Resonance ((1)H NMR) and Infrared Spectroscopy (IR) measurements were used for structural characterization. SPCE and comb-shaped polycarboxylate superplasticizer (CPCE) with same molecular weights were designed and synthesized. The cement paste containing SPCE exhibited better fluidity, fluidity retention, water reduction, 25% lower saturated dosage of PCE, 10% longer setting time, lower hydration heat, more delayed hydration heat evolution and lower amount of hydration products at early ages...
May 10, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28526818/essential-hypertension-a-filtered-serum-based-metabolomics-study
#16
Keerti Ameta, Ashish Gupta, Sudeep Kumar, Rishi Sethi, Deepak Kumar, Abbas Ali Mahdi
Despite the easy and reliable methods of blood pressure measurement, the screening of essential hypertension (EH) is usually ignored due to delayed onset of symptoms. A probe into the biochemical changes in hypertension would serve as a welcome asset to provide insight into the mechanistic aspects of EH. Filtered serum samples from 64 EH patients and 59 healthy controls (HC) were analysed using 800 MHz nuclear magnetic resonance (NMR) spectroscopy. Application of principal component analysis (PCA) and orthogonal partial least-squares discriminant analysis (OPLS-DA) following receiver operating characteristic (ROC) curve of NMR data reveals significantly perturbed metabolites: alanine, arginine, methionine, pyruvate, adenine, and uracil...
May 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28522818/efficient-modification-of-%C3%AE-dna-substrates-for-single-molecule-studies
#17
Yoori Kim, Armando de la Torre, Andrew A Leal, Ilya J Finkelstein
Single-molecule studies of protein-nucleic acid interactions frequently require site-specific modification of long DNA substrates. The bacteriophage λ is a convenient source of high quality long (48.5 kb) DNA. However, introducing specific sequences, tertiary structures, and chemical modifications into λ-DNA remains technically challenging. Most current approaches rely on multi-step ligations with low yields and incomplete products. Here, we describe a molecular toolkit for rapid preparation of modified λ-DNA...
May 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28522250/ppargamma-agonists-rescue-increased-phosphorylation-of-fgf14-at-s226-in-the-tg2576-mouse-model-of-alzheimer-s-disease
#18
Wei-Chun J Hsu, Norelle C Wildburger, Sigmund J Haidacher, Miroslav N Nenov, Oluwarotimi Folorunso, Aditya K Singh, Brent C Chesson, Whitney F Franklin, Ibdanelo Cortez, Rovshan G Sadygov, Kelly T Dineley, Jay S Rudra, Giulio Taglialatela, Cheryl F Lichti, Larry Denner, Fernanda Laezza
BACKGROUND: Cognitive impairment in humans with Alzheimer's disease (AD) and in animal models of Aβ-pathology can be ameliorated by treatments with the nuclear receptor peroxisome proliferator-activated receptor-gamma (PPARγ) agonists, such as rosiglitazone (RSG). Previously, we demonstrated that in the Tg2576 animal model of AD, RSG treatment rescued cognitive deficits and reduced aberrant activity of granule neurons in the dentate gyrus (DG), an area critical for memory formation...
May 15, 2017: Experimental Neurology
https://www.readbyqxmd.com/read/28520643/risk-of-lung-cancer-mortality-in-nuclear-workers-from-internal-exposure-to-alpha-particle-emitting-radionuclides
#19
James Grellier, Will Atkinson, Philippe Bérard, Derek Bingham, Alan Birchall, Eric Blanchardon, Richard Bull, Irina Canu Guseva, Cécile Challeton-de Vathaire, Rupert Cockerill, Minh T Do, Hilde Engels, Jordi Figuerola, Adrian Foster, Luc Holmstock, Christian Hurtgen, Dominique Laurier, Matthew Puncher, Anthony E Riddell, Eric Samson, Isabelle Thierry-Chef, Margot Tirmarche, Martine Vrijheid, Elisabeth Cardis
BACKGROUND: Carcinogenic risks of internal exposures to alpha-emitters (except radon) are poorly understood. Since exposure to alpha particles-particularly through inhalation-occurs in a range of settings, understanding consequent risks is a public health priority. We aimed to quantify dose-response relationships between lung dose from alpha-emitters and lung cancer in nuclear workers. METHODS: We conducted a case-control study, nested within Belgian, French, and UK cohorts of uranium and plutonium workers...
May 17, 2017: Epidemiology
https://www.readbyqxmd.com/read/28520557/first-principles-investigation-of-intrinsic-defects-and-self-diffusion-in-ordered-phases-of-v2c
#20
B J Demaske, A Chernatynskiy, S R Phillpot
The self-diffusion behavior of vanadium subcarbide (V2C) is investigated using density functional theory calculations, owing to its potential application as a diffusion barrier in nuclear applications. Three ordered V2C structures, two of which correspond to experimentally observed phases, are characterized in terms of their equilibrium structural, electronic and elastic properties. Our model for self-diffusion in V2C considers diffusion of carbon and vanadium to occur separately on each sublattice. Two sets of self-diffusion coefficients are calculated for each structure: one for vacancy-mediated diffusion of vanadium and the other for interstitial diffusion of carbon...
June 21, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
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