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https://www.readbyqxmd.com/read/28291341/structural-electronic-and-thermodynamic-properties-of-the-t-and-b-phases-of-niobia-first-principle-calculations
#1
Mirele B Pinto, Antonio Lenito Soares, Andy Mella Orellana, Hélio A Duarte, Heitor A De Abreu
Different polymorphs of Nb2O5 can be obtained depending on the pressure and temperature of calcination leading to different catalytic properties. Two polymorphs of niobia, T-Nb2O5 and B-Nb2O5, have been investigated by means of density functional/plane waves method. The equation of state predicted that B-Nb2O5 phase is more stable than the T-Nb2O5 at low temperature; however at high pressure both phases are stable. These results are in good agreement with the available experimental data. The calculated cohesive energies of 6...
March 22, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28196116/the-scoring-bias-in-reverse-docking-and-the-score-normalization-strategy-to-improve-success-rate-of-target-fishing
#2
Qiyao Luo, Liang Zhao, Jianxing Hu, Hongwei Jin, Zhenming Liu, Liangren Zhang
Target fishing often relies on the use of reverse docking to identify potential target proteins of ligands from protein database. The limitation of reverse docking is the accuracy of current scoring funtions used to distinguish true target from non-target proteins. Many contemporary scoring functions are designed for the virtual screening of small molecules without special optimization for reverse docking, which would be easily influenced by the properties of protein pockets, resulting in scoring bias to the proteins with certain properties...
2017: PloS One
https://www.readbyqxmd.com/read/28155960/connecting-quantum-dots-with-enzymes-mediator-based-approaches-for-the-light-directed-read-out-of-glucose-and-fructose-oxidation
#3
M Riedel, N Sabir, F W Scheller, W J Parak, F Lisdat
The combination of the biocatalytic features of enzymes with the unique physical properties of nanoparticles in a biohybrid system provides a promising approach for the development of advanced bioelectrocatalytic devices. This study describes the construction of photoelectrochemical signal chains based on CdSe/ZnS quantum dot (QD) modified gold electrodes as light switchable elements, and low molecular weight redox molecules for the combination with different biocatalysts. Photoelectrochemical and photoluminescence experiments verify that electron transfer can be achieved between the redox molecules hexacyanoferrate and ferrocene, and the QDs under illumination...
February 3, 2017: Nanoscale
https://www.readbyqxmd.com/read/28057867/molecular-diversity-of-corticotropin-releasing-hormone-mrna-containing-neurons-in-the-hypothalamus
#4
Roman A Romanov, Alan Alpar, Tomas Hökfelt, Tibor Harkany
Hormonal responses to acute stress rely on the rapid induction of corticotropin-releasing hormone (CRH) production in the mammalian hypothalamus, with subsequent instructive steps culminating in corticosterone release at the periphery. Hypothalamic CRH neurons in the paraventricular nucleus of the hypothalamus are therefore considered "stress neurons". However, significant morphological and funtional diversity amongst neurons that can transiently produce CRH in other hypothalamic nuclei has been proposed, particularly since histochemical evidence associates CRH to both GABA and glutamate neurotransmission...
January 5, 2017: Journal of Endocrinology
https://www.readbyqxmd.com/read/27957855/effect-of-out-of-plane-alkyl-group-s-position-in-dye-sensitized-solar-cell-efficiency-a-structure-property-relationship-utilizing-indoline-based-unsymmetrical-squaraine-dyes
#5
Ananthan Alagumalai, Munavvar Fairoos M K, Punitharasu Vellimalai, Manik Chandra Sil, Jayaraj Nithyanandhan
Squaraine dyes are promising chromophores to harvest visible and near-infrared (NIR) photons. A series of indoline-based unsymmetrical squaraine (SQ) dyes that contain alkyl chains at sp(3) C- and N- atoms of indoline moieties with a carboxylic acid anchoring group were synthesized. The optical and electrochemical properties of the SQ dyes in solution were nearly identical as there was no change in the D-A-D SQ framework; however, remarkable changes with respect to the power conversion efficiencies (PCE) were observed depending upon the position of alkyl groups in the dye...
December 28, 2016: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/27748839/trim16-suppresses-the-progression-of-prostate-tumors-by-inhibiting-the-snail-signaling-pathway
#6
Li Qi, Zhong Lu, Yong-Hong Sun, Hai-Tao Song, Wei-Kang Xu
Prostate carcinoma is a devastating disease which is characterized by insidious early symptoms, rapid progression and a poor prognosis. Tripartite motif-containing protein 16 (TRIM16) was identified as an estrogen- and antiestrogen-regulated gene in epithelial cells stably expressing estrogen receptors. The protein encoded by this gene contains two B-box domains and a coiled-coiled region that are characteristic of the B-box zinc finger protein family. Proteins belonging to this family have been reported to be involved in a variety of biological processes including cell growth, differentiation and pathogenesis...
December 2016: International Journal of Molecular Medicine
https://www.readbyqxmd.com/read/27356893/proteomic-analysis-of-exosomes-and-exosome-free-conditioned-media-derived-from-human-osteosarcoma-cell-lines-reveal-differential-secretion-of-proteins-related-to-biological-functions-and-tumor-progression
#7
Sofia Jerez, Andre J van Wijnen, Mario Galindo
Osteosarcoma is an aggressive bone tumor affecting childhood. Currently there are a few proteomic studies analyzing secreted proteins in osteosarcoma. To characterize the osteosarcoma secretome, secreted proteins in the conditioned media of three human osteosarcoma cell lines were analyzed. Exosomes and exosome-free supernatants containing soluble proteins were isolated and characterized. Exosomes were analyzed by transmission electron microscopy (TEM) and western blot. Exosomal and soluble proteins (under 70-100 kDa, respectively) were identified by mass spectrometry analysis using nanoLC-MS/MS...
June 30, 2016: Journal of Cellular Biochemistry
https://www.readbyqxmd.com/read/27320335/natural-and-structure-based-rxr-ligand-scaffolds-and-their-functions
#8
REVIEW
Marta Dominguez, Susana Alvarez, Angel R de Lera
Retinoid X receptors (RXRs) are promiscuous partners of heterodimeric associations with other members of the Nuclear Receptor (NR) superfamily. Through these liaisons RXR ligands ("rexinoids") either transcriptionally activate on their own the "permissive" subclass of heterodimers (PPAR/RXR, LXR/RXR, FXR/RXR) or synergize with partner ligands in the "non-permissive" subclass of heterodimers (RAR/RXR, VDR/RXR and TR/RXR). The nature and extent of the interaction of the ligand-receptor complexes with co-regulators, which is cell and context-dependent, results ultimately in transcriptional modulation of cognate gene networks...
2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27193062/a-genome-wide-association-scan-implicates-dchs2-runx2-gli3-pax1-and-edar-in-human-facial-variation
#9
Kaustubh Adhikari, Macarena Fuentes-Guajardo, Mirsha Quinto-Sánchez, Javier Mendoza-Revilla, Juan Camilo Chacón-Duque, Victor Acuña-Alonzo, Claudia Jaramillo, William Arias, Rodrigo Barquera Lozano, Gastón Macín Pérez, Jorge Gómez-Valdés, Hugo Villamil-Ramírez, Tábita Hunemeier, Virginia Ramallo, Caio C Silva de Cerqueira, Malena Hurtado, Valeria Villegas, Vanessa Granja, Carla Gallo, Giovanni Poletti, Lavinia Schuler-Faccini, Francisco M Salzano, Maria-Cátira Bortolini, Samuel Canizales-Quinteros, Michael Cheeseman, Javier Rosique, Gabriel Bedoya, Francisco Rothhammer, Denis Headon, Rolando González-José, David Balding, Andrés Ruiz-Linares
We report a genome-wide association scan for facial features in ∼6,000 Latin Americans. We evaluated 14 traits on an ordinal scale and found significant association (P values<5 × 10(-8)) at single-nucleotide polymorphisms (SNPs) in four genomic regions for three nose-related traits: columella inclination (4q31), nose bridge breadth (6p21) and nose wing breadth (7p13 and 20p11). In a subsample of ∼3,000 individuals we obtained quantitative traits related to 9 of the ordinal phenotypes and, also, a measure of nasion position...
2016: Nature Communications
https://www.readbyqxmd.com/read/27120098/exfoliated-mos2-in-water-without-additives
#10
Viviane Forsberg, Renyun Zhang, Joakim Bäckström, Christina Dahlström, Britta Andres, Magnus Norgren, Mattias Andersson, Magnus Hummelgård, Håkan Olin
Many solution processing methods of exfoliation of layered materials have been studied during the last few years; most of them are based on organic solvents or rely on surfactants and other funtionalization agents. Pure water should be an ideal solvent, however, it is generally believed, based on solubility theories that stable dispersions of water could not be achieved and systematic studies are lacking. Here we describe the use of water as a solvent and the stabilization process involved therein. We introduce an exfoliation method of molybdenum disulfide (MoS2) in pure water at high concentration (i...
2016: PloS One
https://www.readbyqxmd.com/read/27103452/rna-epigenetic-modification-n6-methyladenosine
#11
REVIEW
Zhang Xiao, Jia Guifang
N(6)-methyladenosine (m(6)A) is one of the most prevalent internal modifications in eukaryotic messenger RNA. The dynamic and reversible modification is installed by methyltransferase complex charactered three subunits: METTL3 (Methyltransferase-like protein 3), METTL14 (Methyltransferase-like protein 14) and WTAP (Wilms tumor 1-associating protein), and erased by two independent demethylases, FTO (Fat mass and obesity associated protein) and ALKBH5 (AlkB homolog 5), in an α-ketoglutarate (α-KG)- and Fe(II)-dependent manner...
April 2016: Yi Chuan, Hereditas
https://www.readbyqxmd.com/read/26966729/ultrasound-accuracy-of-liver-length-measurement-with-cadaveric-specimens
#12
Bárbara L Riestra-Candelaria, Wilma Rodríguez-Mojica, Luis E Vázquez-Quiñones, Juan Carlos Jorge
The liver is one of the principal organs of our body involved in over 500 physiological functions related to metabolism, digestion, immunity, and storage of nutrients, which makes it an essential organ to preserve life. Given that there are a number of approaches to measure liver length through diagnostic 2D sonography, this work aims to determine the most accurate measurement of this organ. Cadaveric specimens (n = 21) were employed to assess measurements in midclavicular line (MCL) and midaxillary line (MAL)...
January 2016: Journal of Diagnostic Medical Sonography: JDMS
https://www.readbyqxmd.com/read/26924396/handaphos-a-general-ligand-enabling-sustainable-ppm-levels-of-palladium-catalyzed-cross-couplings-in-water-at-room-temperature
#13
Sachin Handa, Martin P Andersson, Fabrice Gallou, John Reilly, Bruce H Lipshutz
The new monophosphine ligand HandaPhos has been identified such that when complexed in a 1:1 ratio with Pd(OAc)2, enables Pd-catalyzed cross-couplings to be run using ≤1000 ppm of this pre-catalyst. Applications to Suzuki-Miyaura reactions involving highly funtionalized reaction partners are demonstrated, all run using environmentally benign nanoreactors in water at ambient temperatures. Comparisons with existing state-of-the-art ligands and catalysts are discussed herein.
April 11, 2016: Angewandte Chemie
https://www.readbyqxmd.com/read/26917369/preparation-of-functionalized-cotton-fabrics-by-means-of-melatonin-loaded-%C3%AE-cyclodextrin-nanosponges
#14
Manuela Mihailiasa, Fabrizio Caldera, Jiemeng Li, Roberta Peila, Ada Ferri, Francesco Trotta
Biofunctional textiles are a new category of advanced materials which combine conventional textiles with advanced drug delivery systems to obtain fabrics able to release active principles through skin. The work presents the synthesis of hyper cross-linked β-cyclodextrins nanosponges with the carbonyl group acting as bridge between cyclodextrin molecules. The result of the synthesis is a 3-D porous structure, where melatonin molecules have been complexed. The complex has been characterized by elemental analysis, DSC, SEM, XRD and FT-IR spectroscopy and the results confirm that melatonin interacts with the synthesized nanosponge at molecular level...
May 20, 2016: Carbohydrate Polymers
https://www.readbyqxmd.com/read/26807875/modulating-macrophage-polarization-with-divalent-cations-in-nanostructured-titanium-implant-surfaces
#15
Chung-Ho Lee, Youn-Jeong Kim, Je-Hee Jang, Jin-Woo Park
Nanoscale topographical modification and surface chemistry alteration using bioactive ions are centrally important processes in the current design of the surface of titanium (Ti) bone implants with enhanced bone healing capacity. Macrophages play a central role in the early tissue healing stage and their activity in response to the implant surface is known to affect the subsequent healing outcome. Thus, the positive modulation of macrophage phenotype polarization (i.e. towards the regenerative M2 rather than the inflammatory M1 phenotype) with a modified surface is essential for the osteogenesis funtion of Ti bone implants...
February 26, 2016: Nanotechnology
https://www.readbyqxmd.com/read/26196904/controllable-tailoring-graphene-nanoribbons-with-tunable-surface-functionalities-an-effective-strategy-toward-high-performance-lithium-ion-batteries
#16
Chundong Wang, Yan-Sheng Li, Jianjun Jiang, Wei-Hung Chiang
An effective, large-scale synthesis strategy for producing graphene nanoribbons (GNRs) with a nearly 100% yield has been proposed using a stepwise, solution-based, lengthwise unzipping carbon nanotube (CNT) method. Detailed Raman and X-ray photoelectron spectroscopy (XPS) analysis suggest that GNRs with tunable density of oxygen-containing functional groups on the GNR surfaces can be synthesized by adjusting the oxidant concentration during the CNT unzipping. The electrochemical characterization reveals that the as-produced GNRs with 42...
August 12, 2015: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/26170827/propofol-injection-combined-with-bone-marrow-mesenchymal-stem-cell-transplantation-better-improves-electrophysiological-function-in-the-hindlimb-of-rats-with-spinal-cord-injury-than-monotherapy
#17
Yue-Xin Wang, Jing-Jing Sun, Mei Zhang, Xiao-Hua Hou, Jun Hong, Ya-Jing Zhou, Zhi-Yong Zhang
The repair effects of bone marrow mesenchymal stem cell transplantation on nervous system damage are not satisfactory. Propofol has been shown to protect against spinal cord injury. Therefore, this study sought to explore the therapeutic effects of their combination on spinal cord injury. Rat models of spinal cord injury were established using the weight drop method. Rats were subjected to bone marrow mesenchymal stem cell transplantation via tail vein injection and/or propofol injection via tail vein using an infusion pump...
April 2015: Neural Regeneration Research
https://www.readbyqxmd.com/read/26041531/a-sensitive-electrochemiluminescence-cytosensor-for-quantitative-evaluation-of-epidermal-growth-factor-receptor-expressed-on-cell-surfaces
#18
Yanjuan Tang, Shaolian Zhang, Qingqing Wen, Hongxing Huang, Peihui Yang
A sensitive electrochemiluminescence (ECL) strategy for evaluating the epidermal growth factor receptor (EGFR) expression level on cell surfaces was designed by integrating the specific recognition of EGFR expressed on MCF-7 cell surfaces with an epidermal growth factor (EGF)-funtionalized CdS quantum dots (CdSQDs)-capped magnetic bead (MB) probe. The high sensitivity of ECL probe of EGF-funtionalized CdSQD-capped-MB was used for competitive recognition with EGFR expressed on cell surfaces with recombinant EGFR protein...
June 30, 2015: Analytica Chimica Acta
https://www.readbyqxmd.com/read/25992427/surface-functionalized-selenium-nanoparticles-for-biomedical-applications
#19
REVIEW
Savita Chaudhary, Ahmad Umar, S K Mehta
Selenium nanoparticles present an enhanced genetic actions and possess superior adsorptive capacity due to the interaction between the nanoparticles and NH, C=O, COO- and C-N groups of proteins. This review is focused on the biomedical applications of surafce funtionalized selenium nanoparticles. The engineering of exterior surface of the selenium nanoparticles has further emphasizing on the recent progresses in regulating monolayer structures for competent delivery of drugs and biomolecules. Crucial queries of transport, uptake, and clearance are discussed and illustrated through the prospects of selenium nanoparticles...
October 2014: Journal of Biomedical Nanotechnology
https://www.readbyqxmd.com/read/25873251/silencing-of-uncoupling-protein-2-by-small-interfering-rna-aggravates-mitochondrial-dysfunction-in-cardiomyocytes-under-septic-conditions
#20
Guilang Zheng, Juanjuan Lyu, Shu Liu, Jinda Huang, Cui Liu, Dan Xiang, Meiyan Xie, Qiyi Zeng
Uncoupling protein 2 (UCP2) regulates the production of mitochondrial reactive oxygen species (ROS) and cellular energy transduction under physiological or pathological conditions. In this study, we aimed to determine whether mitochondrial UCP2 plays a protective role in cardiomyocytes under septic conditions. In order to mimic the septic condition, rat embryonic cardiomyoblast-derived H9C2 cells were cultured in the presence of lipopolysaccharide (LPS) plus peptidoglycan G (PepG) and small interfering RNA (siRNA) against UCP2 (siUCP2) was used to suppress UCP2 expression...
June 2015: International Journal of Molecular Medicine
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