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https://www.readbyqxmd.com/read/27933749/black-magic-in-gray-titania-noble-metal-free-photocatalytic-h2-evolution-from-hydrogenated-anatase
#1
Ning Liu, Xuemei Zhou, Nhat Truong Nguyen, Kristina Peters, Florian Zoller, Imgon Hwang, Christopher Schneider, Matthias E Miehlich, Detlef Freitag, Karsten Meyer, Dina Fattakhova-Rohlfing, Patrik Schmuki
'Black' TiO2 -in the widest sense, TiO2 reduced by various treatments-has attracted tremendous scientific interest in recent years because of some outstanding properties; most remarkably in photocatalysis. While the material effects visible light absorption (the blacker, the better), black titania produced by high pressure hydrogenation was recently reported to show another highly interesting feature; noble-metal-free photocatalytic H2 generation. In a systematic investigation of high-temperature hydrogen treatments of anatase nanoparticles, TEM, XRD, EPR, XPS, and photoelectrochemistry are used to characterize different degrees of surface hydrogenation, surface termination, electrical conductivity, and structural defects in the differently treated materials...
December 9, 2016: ChemSusChem
https://www.readbyqxmd.com/read/27933741/freezing-facilitated-dehydration-allowing-deposition-of-zno-from-aqueous-electrolyte
#2
Kouki Tokumasu, Makoto Harada, Tetsuo Okada
When an aqueous NaCl solution with low concentrations of transition metal ions is frozen, most of the solutes are concentrated in the freeze concentrated solutions (FCS). However, Zn2+ is often accumulated at sites where other elements are not detected. X-ray absorption near-edge structure spectroscopy at the Zn K-edge indicates the formation of ZnO. A possible mechanism for the ZnO formation is discussed.
December 9, 2016: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/27933738/exploratory-analysis-of-textual-data-from-the-mother-and-child-handbook-using-a-text-mining-method-ii-monthly-changes-in-the-words-recorded-by-mothers
#3
Miki Tagawa, Yoshio Matsuda, Tomoko Manaka, Makiko Kobayashi, Michitaka Ohwada, Shigeki Matsubara
AIM: The aim of the study was to examine the possibility of converting subjective textual data written in the free column space of the Mother and Child Handbook (MCH) into objective information using text mining and to compare any monthly changes in the words written by the mothers. METHODS: Pregnant women without complications (n = 60) were divided into two groups according to State-Trait Anxiety Inventory grade: low trait anxiety (group I, n = 39) and high trait anxiety (group II, n = 21)...
December 9, 2016: Journal of Obstetrics and Gynaecology Research
https://www.readbyqxmd.com/read/27933736/structural-insight-into-the-anti-prion-compound-inhibition-mechanism-of-native-prion-folding-over-misfolding
#4
Jiwon Choi, Rajiv Gandhi Govindaraj, Jae Wook Hyeon, Kyungro Lee, SongLing Ma, Su Yeon Kim, Jeongmin Lee, Kyoung Tai No
Transition of a physiological folded prion (PrP(C) ) into a pathogenic misfolded prion (PrP(S)(c) ) causes lethal neurodegenerative disorders and prion diseases. Anti-prion compounds have been developed to prevent this conversion; however, their mechanism of action remains unclear. Recently, we reported two anti-prion compounds, BMD29 and 35, identified by in silico and in vitro screening. In this study, we used extensive explicit-solvent molecular dynamics simulations to investigate ligand binding inhibition by anti-prion compounds in prion folding over misfolding behavior at acidic pH...
December 9, 2016: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/27933735/danazol-has-potential-to-cause-pkc-translocation-cell-cycle-dysregulation-and-apoptosis-in-breast-cancer-cells
#5
Suman Jyoti Deka, Ashalata Roy, Vibin Ramakrishnan, Debasis Manna, Vishal Trivedi
Danazol, the established clinical drug has given promising therapeutic results in a series of clinical trials with breast cancer patients. Danazol shares structural similarities with several known PKC agonists and fits well into the C1 domain. Danazol binds to the C1b domain of PKC with Kd of 5.64±1.27 μM. MD simulation studies further support that the PKC-Danazol molecular model is stable and showing minimum distortion to the structure during the simulation period. Immunofluorescence and western-blotting studies indicate that MDAMB-231 cells stimulated with danazol exhibit translocation of PKCα to the plasma membrane...
December 9, 2016: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/27933727/mapping-of-inhibitors-and-activity-data-to-the-human-kinome-and-exploring-promiscuity-from-a-ligand-and-target-perspective
#6
Ye Hu, Ryo Kunimoto, Jürgen Bajorath
An up-to-date collection of publicly available kinase inhibitors and activity data was mapped to the human kinome to comprehensively analyze current small molecule-kinase interactions. Compound distributions across the kinome were explored, structural relationships between inhibitors determined, and the tendency to form activity cliffs assessed. Furthermore, promiscuity was analyzed at the level of inhibitors and kinases and a number of kinase targets with distinct preferences for single- or multi-target inhibitors were identified...
December 9, 2016: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/27933723/comfa-topomer-comfa-and-hqsar-studies-on-a-series-of-novel-hiv-1-protease-inhibitors
#7
Afsane Heidari, Mohammad H Fatemi
Comparative molecular field analysis (CoMFA), topomer CoMFA and hologram QSAR (HQSAR) as three efficient methods of QSAR have been performed on 40 newly synthesized inhibitors against HIV-1 protease. Molecular alignment was done by aid of crystallographic structure of template inhibitor (indirectly alignment) and also by the molecular mechanic (MM) minimized structure. Both alignment methods produced satisfactory statistics for training set, but indirectly alignment had more predictive power. Generated counter maps, especially by topomer CoMFA, give comprehensive information about structural features affecting the inhibitory activities of studied chemicals...
December 9, 2016: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/27933717/mass-cytometry-analytical-approaches-reveal-cytokine-induced-changes-in-natural-killer-cells
#8
Elena Vendrame, Julia Fukuyama, Dara M Strauss-Albee, Susan Holmes, Catherine A Blish
BACKGROUND: Natural killer (NK) cells have antiviral and antitumor activity that could be harnessed for the treatment of infections and malignancies. To maintain cell viability and enhance antiviral and antitumor effects, NK cells are frequently treated with cytokines. Here we performed an extensive assessment of the effects of cytokines on the phenotype and function of human NK cells. METHODS: We used cytometry by time-of-flight (CyTOF) to evaluate NK cell repertoire changes after stimulation with interleukin (IL)-2, IL-15 or a combination of IL- 12/IL-15/IL-18...
December 9, 2016: Cytometry. Part B, Clinical Cytometry
https://www.readbyqxmd.com/read/27933712/the-importance-of-mrna-structure-in-determining-the-pathogenicity-of-synonymous-and-non-synonymous-mutations-in-haemophilia
#9
N Hamasaki-Katagiri, B C Lin, J Simon, R C Hunt, T Schiller, E Russek-Cohen, A A Komar, H Bar, C Kimchi-Sarfaty
INTRODUCTION: Mutational analysis is commonly used to support the diagnosis and management of haemophilia. This has allowed for the generation of large mutation databases which provide unparalleled insight into genotype-phenotype relationships. Haemophilia is associated with inversions, deletions, insertions, nonsense and missense mutations. Both synonymous and non-synonymous mutations influence the base pairing of messenger RNA (mRNA), which can alter mRNA structure, cellular half-life and ribosome processivity/elongation...
December 9, 2016: Haemophilia: the Official Journal of the World Federation of Hemophilia
https://www.readbyqxmd.com/read/27933697/total-magnetic-resonance-imaging-burden-of-cerebral-small-vessel-disease-is-associated-with-post-stroke-depression-in-patients-with-acute-lacunar-stroke
#10
X Zhang, Y Tang, Y Xie, C Ding, J Xiao, X Jiang, H Shan, Y Lin, C Li, D Hu, T Li, L Sheng
BACKGROUND AND PURPOSE: Despite extensive studies on post-stroke depression (PSD), the role of the total burden of cerebral small-vessel disease (cSVD) in its pathogenesis remains unclear. METHODS: We conducted a magnetic resonance imaging (MRI)-based cohort study to investigate the relationship between total MRI burden of cSVD and PSD among patients with first-ever lacunar stroke. From June 2013 to January 2016, 374 patients were consecutively recruited. PSD was identified using the Chinese version of the Structured Clinical Interview for DSM-IV...
December 9, 2016: European Journal of Neurology: the Official Journal of the European Federation of Neurological Societies
https://www.readbyqxmd.com/read/27933695/multiconfigurational-effects-in-theoretical-resonance-raman-spectra
#11
Yingjin Ma, Stefan Knecht, Markus Reiher
We analyze resonance Raman spectra of the nucleobase uracil in the short-time approximation calculated with multiconfigurational methods. We discuss the importance of static electron correlation by means of density-matrix renormalization group self-consistent field (DMRG-SCF) calculations. Our DMRG-SCF results reveal that a minimal active orbital space that leads to a qualitatively correct description of the resonance Raman spectrum of uracil should encompass parts of the $\sigma/\sigma^{\ast}$ bonding/anti-bonding orbitals of the pyrimidine ring...
December 8, 2016: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/27933684/enhancement-of-ag-based-plasmonic-photocatalysis-in-the-hydrogen-production-from-ammonia-borane-by-the-assist-of-single-site-ti-oxide-moiety-within-the-silica-framework
#12
Priyanka Verma, Yasutaka Kuwahara, Kohsuke Mori, Hiromi Yamashita
Ag nanoparticles (NPs) have gained great attention owing to their interesting plasmonic properties showing efficient catalysis under visible light irradiation. In this study, Ag-based plasmonic catalyst supported on the mesoporous silica involving isolated and tetrahedrally coordinated single-site Ti-oxide moieties, Ag/Ti-SBA-15, has been designed with the purpose of utilizing the broad spectrum range of solar energy. The Ti-SBA-15 support allows the deposition of small Ag NPs with a narrow size distribution...
December 9, 2016: Chemistry: a European Journal
https://www.readbyqxmd.com/read/27933675/c3-symmetric-boron-lewis-acid-with-a-cage-shape-for-chiral-molecular-recognition-and-asymmetric-catalysis
#13
Akihito Konishi, Koichi Nakaoka, Hikaru Maruyama, Hideto Nakajima, Tomohiro Eguchi, Akio Baba, Makoto Yasuda
Chiral Lewis acids have played an important role in the precise construction of various types of chiral molecules. Here, we designed and synthesized a cage-shaped borate 2 as a chiral Lewis acid, which possesses a unique C3-symmetric structure composed of three homochiral binaphthyl moieties. The highly symmetrical structure of 2 with homochirality was clearly elucidated by X-ray crystallographic analysis. The peculiar chiral environment of 2·THF exhibited the chiral recognition of some simple amines and a sulfoxide...
December 8, 2016: Chemistry: a European Journal
https://www.readbyqxmd.com/read/27933655/immunological-diversity-in-phenotypes-of-chronic-lung-allograft-dysfunction-a-comprehensive-immunohistochemical-analysis
#14
Elly Vandermeulen, Elise Lammertyn, Stijn E Verleden, David Ruttens, Hannelore Bellon, Mario Ricciardi, Jana Somers, Ken R Bracke, Kathleen Van Den Eynde, Thomas Tousseyn, Guy G Brusselle, Erik K Verbeken, Johny Verschakelen, Marie-Paule Emonds, Dirk E Van Raemdonck, Geert M Verleden, Robin Vos, Bart M Vanaudenaerde
Chronic rejection after organ transplantation is defined as a humoral- and cell-mediated immune response directed against the allograft. In lung transplantation, chronic rejection is nowadays clinically defined as a cause of chronic lung allograft dysfunction (CLAD), consisting of different clinical phenotypes including restrictive allograft syndrome (RAS) and bronchiolitis obliterans syndrome (BOS). However, the differential role of humoral and cellular immunity is not investigated up to now. Explant lungs of patients with end-stage BOS (n = 19) and RAS (n = 18) were assessed for the presence of lymphoid (B and T cells) and myeloid cells (dendritic cells, eosinophils, mast cells, neutrophils, and macrophages) and compared to nontransplant control lung biopsies (n = 21)...
November 7, 2016: Transplant International: Official Journal of the European Society for Organ Transplantation
https://www.readbyqxmd.com/read/27933649/using-chiral-peptide-substitutions-to-probe-the-structure-function-relationship-of-a-key-residue-of-a%C3%AE-42
#15
Christopher J A Warner, Subrata Dutta, Alejandro R Foley, Eefei Chen, David S Kliger, Jevgenij A Raskatov
Amyloid beta-protein 42 plays an important role in the onset and progression of Alzheimer's disease. Familial mutations have identified the glutamate residue 22 as a hotspot with regard to peptide neurotoxicity. We introduce an approach to study the influence of systematic sidechain modification at this residue, employing chirality as a structural probe. Circular dichroism experiments reveal that charge-preserving alterations of the amino acid sidechain attenuate the characteristic random coil to β-sheet transition associated with the wildtype peptide...
December 8, 2016: Chirality
https://www.readbyqxmd.com/read/27933635/vietnamese-version-of-diabetes-self-management-instrument-development-and-psychometric-testing
#16
Tiet-Hanh Dao-Tran, Debra J Anderson, Anne M Chang, Charrlotte Seib, Cameron Hurst
Self-management plays a vital role in diabetes management for adults with type 2 diabetes (T2DM). While there are many people with T2DM in Vietnam, clinical understanding of diabetes self-management (DSM) in this context is limited due to the lack of a valid measurement instrument. Translation and back-translation processes were used to translate the Diabetes Self-Management Instrument (DSMI) into Vietnamese. Then, translation equivalence, face validity, construct validity, and internal consistency were assessed in a sample of 198 Vietnamese adults with T2DM...
December 9, 2016: Research in Nursing & Health
https://www.readbyqxmd.com/read/27933610/resilience-mediates-impact-of-some-childhood-maltreatment-on-post-traumatic-stress-symptoms-in-conscripted-marines-in-the-republic-of-korea
#17
Heejung Kim, Sun Ah Kim, Seongsook Kong
Although it is known that post-traumatic stress symptoms (PTSS) can result from military service, the variance in PTSS unexplained by military service warrants further investigation, and no researchers have investigated South Korean Marines' vulnerability during their 2-year conscripted service as the first line of national defense against threats from North Korea. This study was designed to examine whether resilience mediated the relationship between childhood maltreatment and PTSS in 169 Korean conscripts into the Marine Corps...
December 9, 2016: Research in Nursing & Health
https://www.readbyqxmd.com/read/27933540/systems-genetics-of-obesity
#18
Gudrun A Brockmann, Danny Arends, Sebastian Heise, Ayca Dogan
Obesity is a complex trait, determined by many genes and influenced by environmental factors. Mapping genomic loci contributing to obesity helps to identify gene variants responsible for differences in the phenotype. However, measuring fat content alone is often not sufficient to identify the underlying gene or genes. Besides in-depth phenotyping, well-designed genetic populations and the combined analysis of data of different origins are necessary to detect one of several genetic determinants. Structured mouse populations and linking information from different experiments help to simplify the complexity in the search for direct genetic effects or factors that are hidden in the genome...
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/27933532/precise-network-modeling-of-systems-genetics-data-using-the-bayesian-network-webserver
#19
Jesse D Ziebarth, Yan Cui
The Bayesian Network Webserver (BNW, http://compbio.uthsc.edu/BNW ) is an integrated platform for Bayesian network modeling of biological datasets. It provides a web-based network modeling environment that seamlessly integrates advanced algorithms for probabilistic causal modeling and reasoning with Bayesian networks. BNW is designed for precise modeling of relatively small networks that contain less than 20 nodes. The structure learning algorithms used by BNW guarantee the discovery of the best (most probable) network structure given the data...
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/27933525/expression-qtls-mapping-and-analysis-a-bayesian-perspective
#20
Martha Imprialou, Enrico Petretto, Leonardo Bottolo
The aim of expression Quantitative Trait Locus (eQTL) mapping is the identification of DNA sequence variants that explain variation in gene expression. Given the recent yield of trait-associated genetic variants identified by large-scale genome-wide association analyses (GWAS), eQTL mapping has become a useful tool to understand the functional context where these variants operate and eventually narrow down functional gene targets for disease. Despite its extensive application to complex (polygenic) traits and disease, the majority of eQTL studies still rely on univariate data modeling strategies, i...
2017: Methods in Molecular Biology
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