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https://www.readbyqxmd.com/read/29739217/communication-xdh-double-hybrid-functionals-can-be-qualitatively-incorrect-for-non-equilibrium-geometries-dipole-moment-inversion-and-barriers-to-radical-radical-association-using-xyg3-and-xygj-os
#1
Diptarka Hait, Martin Head-Gordon
Double hybrid (DH) density functionals are amongst the most accurate density functional approximations developed so far, largely due to the incorporation of correlation effects from unoccupied orbitals via second order perturbation theory (PT2). The xDH family of DH functionals calculate energy directly from orbitals optimized by a lower level approach like B3LYP, without self-consistent optimization. XYG3 and XYGJ-OS are two widely used xDH functionals that are known to be quite accurate at equilibrium geometries...
May 7, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29716618/focs-a-novel-method-for-analyzing-enhancer-and-gene-activity-patterns-infers-an-extensive-enhancer-promoter-map
#2
Tom Aharon Hait, David Amar, Ron Shamir, Ran Elkon
Recent sequencing technologies enable joint quantification of promoters and their enhancer regions, allowing inference of enhancer-promoter links. We show that current enhancer-promoter inference methods produce a high rate of false positive links. We introduce FOCS, a new inference method, and by benchmarking against ChIA-PET, HiChIP, and eQTL data show that it results in lower false discovery rates and at the same time higher inference power. By applying FOCS to 2630 samples taken from ENCODE, Roadmap Epigenomics, FANTOM5, and a new compendium of GRO-seq samples, we provide extensive enhancer-promotor maps ( http://acgt...
May 1, 2018: Genome Biology
https://www.readbyqxmd.com/read/29679401/translational-regulation-of-ribosomal-protein-s15-drives-characteristic-patterns-of-protein-mrna-epistasis
#3
Saurav Mallik, Sudipto Basu, Suman Hait, Sudip Kundu
Do coding and regulatory segments of a gene co-evolve with each-other? Seeking answers to this question, here we analyze the case of Escherichia coli ribosomal protein S15, that represses its own translation by specifically binding its messenger RNA (rpsO mRNA) and stabilizing a pseudoknot structure at the upstream untranslated region, thus trapping the ribosome into an incomplete translation initiation complex. In the absence of S15, ribosomal protein S1 recognizes rpsO and promotes translation by melting this very pseudoknot...
April 21, 2018: Proteins
https://www.readbyqxmd.com/read/29678220/analysis-of-the-vidas-%C3%A2-staph-enterotoxin-iii-set3-for-detection-of-staphylococcal-enterotoxins-g-h-and-i-in-foods
#4
Jennifer M Hait, Angela T Nguyen, Sandra M Tallent
Background : Staphylococcal food poisoning (SFP) frequently causes illnesses worldwide. SFP occurs from the ingestion of staphylococcal enterotoxins (SEs) preformed in foods by enterotoxigenic strains of Staphylococcus species, primarily S. aureus . SEG, SEH, and SEI induce emesis and have been implicated in outbreaks. Immunological-based methods are deemed the most practical methods for the routine analysis of SEs in foods given their ease of use, sensitivity, specificity, and commercial availability. These kits are routinely used to test for SEA-SEE...
April 20, 2018: Journal of AOAC International
https://www.readbyqxmd.com/read/29599125/establishment-of-human-pluripotent-stem-cell-derived-pancreatic-%C3%AE-like-cells-in-the-mouse-pancreas
#5
Haiting Ma, Katherine J Wert, Dmitry Shvartsman, Douglas A Melton, Rudolf Jaenisch
Type 1 diabetes is characterized by autoimmune destruction of β cells located in pancreatic islets. However, tractable in vivo models of human pancreatic β cells have been limited. Here, we generated xenogeneic human pancreatic β-like cells in the mouse pancreas by orthotopic transplantation of stem cell-derived β (SC-β) cells into the pancreas of neonatal mice. The engrafted β-like cells expressed β cell transcription factors and markers associated with functional maturity. Engrafted human cells recruited mouse endothelial cells, suggesting functional integration...
March 29, 2018: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/29596216/reduction-of-inappropriate-antimicrobial-prescriptions-in-a-tertiary-neonatal-intensive-care-unit-following-antimicrobial-stewardship-care-bundle-implementation
#6
Joseph Y Ting, Vanessa Paquette, Karen Ng, Sarka Lisonkova, Valoria Hait, Sandesh Shivanada, Peter Tilley, Osiovich Horacio, Ashley Roberts
BACKGROUND: Our objective was to evaluate the appropriateness of antibiotic prescriptions in the neonatal intensive care unit (NICU) using standardised criteria and determine the effects of an antimicrobial stewardship programme (ASP) on patterns of antibiotic usage. METHODS: A retrospective audit of antibiotic use from July 2010-June 2013 was conducted, focusing on prescriptions of vancomycin, cefotaxime, meropenem and linezolid for >3 calendar days. We evaluated the appropriateness of each course of antibiotic treatment based on the Centers for Disease Control and Prevention (CDC) 12-Step Guidelines to Prevent Antimicrobial Resistance (Steps 4, 6 and 9)...
March 24, 2018: Pediatric Infectious Disease Journal
https://www.readbyqxmd.com/read/29571039/interleukin-35-inhibitory-regulator-in-monocyte-derived-dendritic-cell-maturation-and-activation
#7
Xi Chen, Shengnan Hao, Zhonghua Zhao, Jia Liu, Qianqian Shao, Fang Wang, Dong Sun, Ying He, Wenjuan Gao, Haiting Mao
IL-35, a novel IL-12 family member, is a potent inhibitory cytokine predominantly produced by regulatory T and B lymphocytes that exerts optimal suppression in immune response. However, it remains unclear whether IL-35 plays an inhibitory role on human dendritic cells. In the present study, we focused on the possible immunosuppressive effect of IL-35 on the differentiation, maturation and function of monocyte-derived DCs (MoDCs). Addition of exogenous IL-35 was able to partially suppress MoDCs differentiation in vitro...
March 20, 2018: Cytokine
https://www.readbyqxmd.com/read/29562129/how-accurate-is-density-functional-theory-at-predicting-dipole-moments-an-assessment-using-a-new-database-of-200-benchmark-values
#8
Diptarka Hait, Martin Head-Gordon
Dipole moments are a simple, global measure of the accuracy of the electron density of a polar molecule. Dipole moments also affect the interactions of a molecule with other molecules as well as electric fields. To directly assess the accuracy of modern density functionals for calculating dipole moments, we have developed a database of 200 benchmark dipole moments, using coupled cluster theory through triple excitations, extrapolated to the complete basis set limit. This new database is used to assess the performance of 88 popular or recently developed density functionals...
March 21, 2018: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29552280/identification-and-analysis-of-hub-genes-and-networks-related-to-hypoxia-preconditioning-in-mice-no-035215
#9
Haiting Cheng, Can Cui, Shousi Lu, Binbin Xia, Xiaorong Li, Pinxiang Xu, Ming Xue
Hypoxia preconditioning is an effective strategy of intrinsic cell protection. An acute repetitive hypoxic mice model was developed. High-throughput microarray analysis was performed to explore the integrative alterations of gene expression in repetitive hypoxic mice. Data obtained was analyzed via multiple bioinformatics approaches to identify the hub genes, pathways and biological processes related to hypoxia preconditioning. The current study, for the first time, provides insights into the gene expression profiles in repetitive hypoxic mice...
February 23, 2018: Oncotarget
https://www.readbyqxmd.com/read/29534723/plumbagin-induces-rpe-cell-cycle-arrest-and-apoptosis-via-p38-mark-and-pi3k-akt-mtor-signaling-pathways-in-pvr
#10
Haiting Chen, Huifang Wang, Jianbin An, Qingli Shang, Jingxue Ma
BACKGROUND: This study aimed to explore the effects of plumbagin (PLB) on ARPE-19 cells and underlying mechanism. METHODS: Cultured ARPE-19 cells were treated with various concentrations (0, 5, 15, and 25 μM) of PLB for 24 h or with 15 μM PLB for 12, 24 and 48 h. Then cell viability was evaluated by MTT assay and DAPI staining, while apoptosis and cell cycle progression of ARPE cells were assessed by flow cytometric analysis. Furthermore, the level of main regulatory proteins was examinated by Western boltting and the expression of relative mRNA was tested by Real-Time PCR...
March 13, 2018: BMC Complementary and Alternative Medicine
https://www.readbyqxmd.com/read/29532788/inhibitory-effects-of-plumbagin-on-retinal-pigment-epithelial-cell-epithelial-mesenchymal-transition-in-vitro-and-in-vivo
#11
Haiting Chen, Huifang Wang, Jianbin An, Qingli Shang, Jingxue Ma
BACKGROUND This study aimed to explore the effects of plumbagin (PLB) on epithelial-to-mesenchymal transition in retinal pigment epithelial (RPE) cells and in proliferative vitreoretinopathy (PVR) rabbit models. MATERIAL AND METHODS Rabbit RPE cells were exposed to various concentrations (0, 5, 15, and 25 µM) of PLB. Motility, migration, and invasion of PLB-treated cells were determined in vitro using Transwell chamber assays and scratch wound assays. The contractile ability was evaluated by cell contraction assay...
March 13, 2018: Medical Science Monitor: International Medical Journal of Experimental and Clinical Research
https://www.readbyqxmd.com/read/29530545/biomimetic-synthesis-and-evaluation-of-histidine-derivative-templated-chiral-mesoporous-silica-for-improved-oral-delivery-of-the-poorly-water-soluble-drug-nimodipine
#12
Heran Li, Haiting Li, Chen Wei, Jia Ke, Jing Li, Lu Xu, Hongzhuo Liu, YangYang, Sanming Li, Mingshi Yang
In this study, spherical shaped chiral mesoporous silica nanoparticles (CMS) was biomimetic synthesized using histidine derivatives (C16 -L-histidine) as template via the sol-gel reaction and employed as poorly water-soluble drug nimodipine (NMP) carrier. Characteristics of CMS and its application as drug carrier were intensively investigated and compared with MCM41. Then NMP was respectively loaded into CMS and MCM41 with the drug: carrier weight ratio of 2:1. Structural features of NMP before and after drug loading were systemically characterized...
May 30, 2018: European Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/29528848/mo-0-5-w-0-5-s-2-for-q-switched-pulse-generation-in-ytterbium-doped-fiber-laser
#13
Junli Wang, Lei Chen, Chenxi Dou, Haiting Yan, Lingjie Meng, Zhiyi Wei
In this work, we fabricate the Mo0.5 W0.5 S2 by microwave-assisted solvothermal method, and report the Q-switched Yb-doped fiber lasers (YDFL) using Mo0.5 W0.5 S2 polymer film and tapered fiber as the saturable absorbers (SAs). The modulation depth and saturable intensity of the film SA are 5.63% and 6.82 MW cm-2 . The shortest pulse duration and the maximum single pulse energy are 1.22 μs and 148.8 nJ for the film SA, 1.46 μs and 339 nJ for the fiber-taper SA. To the best of our knowledge, this is the first report on the Q-switched YDFL using Mo0...
June 1, 2018: Nanotechnology
https://www.readbyqxmd.com/read/29523764/abcc1-exported-sphingosine-1-phosphate-produced-by-sphingosine-kinase-1-shortens-survival-of-mice-and-patients-with-breast-cancer
#14
Akimitsu Yamada, Masayuki Nagahashi, Tomoyoshi Aoyagi, Wei-Ching Huang, Santiago Lima, Nitai C Hait, Aparna Maiti, Kumiko Kida, Krista P Terracina, Hiroshi Miyazaki, Takashi Ishikawa, Itaru Endo, Michael R Waters, Qianya Qi, Li Yan, Sheldon Milstien, Sarah Spiegel, Kazuaki Takabe
Sphingosine-1-phosphate (S1P), a bioactive sphingolipid mediator, has been implicated in regulation of many processes important for breast cancer progression. Previously, we observed that S1P is exported out of human breast cancer cells by ATP-binding cassette (ABC) transporter ABCC1, but not by ABCB1, both known multidrug resistance proteins that efflux chemotherapeutic agents. However, the pathologic consequences of these events to breast cancer progression and metastasis have not been elucidated. Here, it is demonstrated that high expression of ABCC1, but not ABCB1, is associated with poor prognosis in breast cancer patients...
March 9, 2018: Molecular Cancer Research: MCR
https://www.readbyqxmd.com/read/29478664/simultaneous-removal-of-ammonia-and-n-nitrosamine-precursors-from-high-ammonia-water-by-zeolite-and-powdered-activated-carbon
#15
Runmiao Xue, Ariel Donovan, Haiting Zhang, Yinfa Ma, Craig Adams, John Yang, Bin Hua, Enos Inniss, Todd Eichholz, Honglan Shi
When adding sufficient chlorine to achieve breakpoint chlorination to source water containing high concentration of ammonia during drinking water treatment, high concentrations of disinfection by-products (DBPs) may form. If N-nitrosamine precursors are present, highly toxic N-nitrosamines, primarily N-nitrosodimethylamine (NDMA), may also form. Removing their precursors before disinfection should be a more effective way to minimize these DBPs formation. In this study, zeolites and activated carbon were examined for ammonia and N-nitrosamine precursor removal when incorporated into drinking water treatment processes...
February 2018: Journal of Environmental Sciences (China)
https://www.readbyqxmd.com/read/29454818/comprehensive-characterization-of-printed-circuit-boards-of-various-end-of-life-electrical-and-electronic-equipment-for-beneficiation-investigation
#16
Anshu Priya, Subrata Hait
Comprehensive characterization of printed circuit board (PCB) of end-of-life electrical and electronic equipment (EEE) is obligatory for prospective profitable beneficiation. In this study, beneficiation oriented comprehensive characterization of two brands of PCBs each of 16 end-of-life EEE was conducted in terms of their physicochemical characteristics with special emphasis on the content of 16 general elements, 2 precious metals and 15 rare earth elements (REEs). General elements and their highest weight percent composition found in different PCBs of the EEEs were Cu (23% in laptop), Al (6% in computer), Pb (15% in DVD player) and Ba (7% in TV)...
May 2018: Waste Management
https://www.readbyqxmd.com/read/29445286/glia-maturation-factor-%C3%AE-a-potential-therapeutic-target-in-neurodegeneration-and-neuroinflammation
#17
REVIEW
Junsheng Fan, Tszhei Fong, Xinjie Chen, Chuyun Chen, Peng Luo, Haiting Xie
Glia maturation factor-β (GMFB) is considered to be a growth and differentiation factor for both glia and neurons. GMFB has been found to be upregulated in several neuroinflammation and neurodegeneration conditions. It may function by mediating apoptosis and by modulating the expression of superoxide dismutase, granulocyte-macrophage colony-stimulating factor, and neurotrophin. In this review, we mainly discussed the role of GMFB in several neuroinflammatory and neurodegenerative diseases. On review of the literature, we propose that GMFB may be a promising therapeutic target for neuroinflammatory and neurodegenerative diseases...
2018: Neuropsychiatric Disease and Treatment
https://www.readbyqxmd.com/read/29439975/pstm6-275-a-conjugative-inchi2-plasmid-of-salmonella-enterica-that-confers-antibiotic-and-heavy-metal-resistance-under-changing-physiological-conditions
#18
Helen Billman-Jacobe, Yuhong Liu, Ruth Haites, Tom Weaver, Lily Robinson, Marc Marenda, Mike Dyall-Smith
Detailed annotation of an IncHI2 plasmid, pSTM6-275, from Salmonella enterica serotype 1,4,5,12:i:- strain TW-Stm6 revealed a composite structure, including antimicrobial resistance genes on mobile genetic elements. The plasmid was thermosensitive for transfer to Escherichia coli and conferred reduced susceptibility to antibiotics, copper sulfate, and silver nitrate. Metal ion susceptibility was dependent on physiological conditions, giving an insight into the environments where this trait might confer a fitness advantage...
May 2018: Antimicrobial Agents and Chemotherapy
https://www.readbyqxmd.com/read/29426187/refined-source-apportionment-of-coal-combustion-sources-by-using-single-particle-mass-spectrometry
#19
Jiao Xu, Haiting Wang, Xiujian Li, Yue Li, Jie Wen, Jinsheng Zhang, Xurong Shi, Mei Li, Wei Wang, Guoliang Shi, Yinchang Feng
In this study, samples of three typical coal combustion source types, including Domestic bulk coal combustion (DBCC), Heat supply station (HSS), and Power plant (PP) were sampled and large sets of their mass spectra were obtained and analyzed by SPAMS during winter in a megacity in China. A primary goal of this study involves determining representative size-resolved single particle mass spectral signatures of three source types that can be used in source apportionment activities. Chemical types describe the majority of the particles of each source type were extracted by ART-2a algorithm with distinct size characteristics, and the corresponding tracer signals were identified...
June 15, 2018: Science of the Total Environment
https://www.readbyqxmd.com/read/29415111/a-comprehensive-review-of-the-fate-of-pathogens-during-vermicomposting-of-organic-wastes
#20
Ankita Swati, Subrata Hait
Management of both municipal and industrial organic wastes remains a major threat to biota and the environment due to the presence of pathogens in abundance. Vermicomposting employing earthworms is increasingly gaining attention as a sustainable and ecofriendly technique to transform and sanitize a variety of organic wastes into nutrient-rich biofertilizer. Although considerable research has been undertaken to show that vermicomposting can significantly reduce pathogenic contents, there is little effort to summarize the various mechanisms responsible for it...
January 2018: Journal of Environmental Quality
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