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https://www.readbyqxmd.com/read/28430437/discovery-of-an-hcv-ns5b-replicase-palm-site-allosteric-inhibitor-bms-929075-advanced-to-phase-1-clinical-studies
#1
Kap-Sun Yeung, Brett R Beno, Kyle Parcella, John A Bender, Katherine A Grant-Young, Andrew Nickel, Prashantha Gunaga, Prakash Anjanappa, Rajesh Onkardas Bora, Kumaravel Selvakumar, Karen Rigat, Ying-Kai Wang, Mengping Liu, Julie A Lemm, Kathy Mosure, Steven Sheriff, Changhong Wan, Mark Witmer, Kevin Kish, Umesh M Hanumegowda, Xiaoliang Zhuo, Yue-Zhong Shu, Dawn Parker, Roy Haskell, Alicia Ng, Qi Gao, Elizabeth Colston, Joseph Raybon, Dennis M Grasela, Kenneth S Santone, Min Gao, Nicholas A Meanwell, Michael W Sinz, Matthew G Soars, Jay O Knipe, Susan B Roberts, John F Kadow
The hepatitis C virus NS5B replicase is a prime target for the development of direct-acting antiviral drugs for the treatment of chronic HCV infection. Inspired by the overlay of bound structures of three structurally distinct NS5B palm site allosteric inhibitors, the high throughput screening hit anthranilic acid 4, the known benzofuran analog 5 and the benzothiadiazine derivative 6, an optimization process utilizing the simple benzofuran template 7 as a starting point for a fragment growing approach was pursued...
April 21, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28429796/spatial-control-of-functional-response-in-4d-printed-active-metallic-structures
#2
Ji Ma, Brian Franco, Gustavo Tapia, Kubra Karayagiz, Luke Johnson, Jun Liu, Raymundo Arroyave, Ibrahim Karaman, Alaa Elwany
We demonstrate a method to achieve local control of 3-dimensional thermal history in a metallic alloy, which resulted in designed spatial variations in its functional response. A nickel-titanium shape memory alloy part was created with multiple shape-recovery stages activated at different temperatures using the selective laser melting technique. The multi-stage transformation originates from differences in thermal history, and thus the precipitate structure, at various locations created from controlled variations in the hatch distance within the same part...
April 21, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28429417/immobilization-methods-for-the-rapid-total-chemical-synthesis-of-proteins-on-microtiter-plates
#3
Robert Zitterbart, Michael Krumrey, Oliver Seitz
The chemical synthesis of proteins typically involves the solid-phase peptide synthesis of unprotected peptide fragments that are stitched together in solution by native chemical ligation (NCL). The process is slow, and throughput is limited because of the need for repeated high performance liquid chromatography purification steps after both solid-phase peptide synthesis and NCL. With an aim to provide faster access to functional proteins and to accelerate the functional analysis of synthetic proteins by parallelization, we developed a method for the high performance liquid chromatography-free synthesis of proteins on the surface of microtiter plates...
April 21, 2017: Journal of Peptide Science: An Official Publication of the European Peptide Society
https://www.readbyqxmd.com/read/28429050/assessment-of-cr-ni-and-pb-pollution-in-rural-agricultural-soils-of-tonalite-trondjhemite-series-in-central-india
#4
Kriti Shukla, Bijendra Kumar, Rahul Agrawal, Kumari Priyanka, Madavi Venkatesh, Anshumali
Chromium (Cr), nickel (Ni) and lead (Pb) contamination was investigated in wheat cultivated rain-fed and irrigated rural agricultural soils (n = 31) of Tonalite-Trondjhemite Series in Central India. The soil sampling was carried out by using stratified random sampling method. The mean concentrations of Cr, Ni and Pb were 54.8, 38.1 and 68.9 mg/kg, respectively. The average values of enrichment factor (EF), geoaccumulation index (I geo ) and contamination factor (CF) followed the order as: Pb > Ni > Cr...
April 20, 2017: Bulletin of Environmental Contamination and Toxicology
https://www.readbyqxmd.com/read/28428780/genomic-and-transcriptomic-insights-into-calcium-carbonate-biomineralization-by-marine-actinobacterium-brevibacterium-linens-bs258
#5
Yuying Zhu, Ning Ma, Weihua Jin, Shimei Wu, Chaomin Sun
Calcium carbonate (CaCO3) biomineralization has been investigated due to its wide range of scientific and technological implications, however, the molecular mechanisms of this important geomicrobiological process are largely unknown. Here, a urease-positive marine actinobacterium Brevibacterium linens BS258 was demonstrated to effectively form CaCO3 precipitates. Surprisingly, this bacterium could also dissolve the formed CaCO3 with the increase of the Ca(2+) concentration. To disclose the mechanisms of biomineralization, the genome of B...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28427653/thermolysis-synthesis-of-pure-phase-nio-from-novel-sonochemical-synthesized-ni-ii-nano-metal-organic-supramolecular-architecture
#6
Younes Hanifehpour, Ali Morsali, Babak Mirtamizdoust, Sang Woo Joo, Behzad Soltani
Nano-structures of a new supramolecular coordination compound of divalent nickel with the pyrazol (pzH) containing the terminal azide anions, [Ni(pzH)2(N3)2] (1), with discrete molecular architecture (DMA) in solid state was synthesized via sonochemical method. The new nanostructure was characterized by scanning electron microscopy, X-ray powder diffraction, IR, and elemental analysis. Compound 1 was structurally characterized by single crystal X-ray diffraction and the single-crystal X-ray data shows that the coordination number of Ni (II) ions is six, (NiN6), with four N-donor atoms from neutral "pzH" ligands and two N-donors from two terminal azide anions...
July 2017: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/28427646/investigate-the-ultrasound-energy-assisted-adsorption-mechanism-of-nickel-ii-ions-onto-modified-magnetic-cobalt-ferrite-nanoparticles-multivariate-optimization
#7
Fatemeh Mehrabi, Ebrahim Alipanahpour Dil
In present study, magnetic cobalt ferrite nanoparticles modified with (E)-N-(2-nitrobenzylidene)-2-(2-(2-nitrophenyl)imidazolidine-1-yl) ethaneamine (CoFe2O4-NPs-NBNPIEA) was synthesized and applied as novel adsorbent for ultrasound energy assisted adsorption of nickel(II) ions (Ni(2+)) from aqueous solution. The prepared adsorbent characterized by Fourier transforms infrared spectroscopy (FT-IR), transmission electron microscope (TEM), vibrating sample magnetometer (VSM) and X-ray diffraction (XRD). The dependency of adsorption percentage to variables such as pH, initial Ni(2+) ions concentration, adsorbent mass and ultrasound time were studied with response surface methodology (RSM) by considering the desirable functions...
July 2017: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/28427320/the-role-of-inelastic-deformations-in-the-mechanical-response-of-endovascular-shape-memory-alloy-devices
#8
Lorenza Petrini, Alessandro Bertini, Francesca Berti, Giancarlo Pennati, Francesco Migliavacca
Nickel-titanium alloys are commonly adopted for producing cardiovascular minimally invasive devices such as self-expandable stents, aortic valves and stent-grafts. These devices are subjected to cyclic loads (due to blood pulsatility, leg or heart movements), that can induce fatigue fracture, and may also be subjected to very large deformations (due to crimping procedure, a tortuous physiological path or overloads), that can induce material yield. Recently, the authors developed a new constitutive model that considers inelastic strains due to not-completed reverse phase transformation (not all the stress-induced martensite turns back to austenite) or/and plasticity and their accumulation during cyclic loads...
May 2017: Proceedings of the Institution of Mechanical Engineers. Part H, Journal of Engineering in Medicine
https://www.readbyqxmd.com/read/28426151/ammonothermal-synthesis-of-earth-abundant-nitride-semiconductors-znsin2-and-zngen2-and-dissolution-monitoring-by-in-situ-x-ray-imaging
#9
Jonas Häusler, Saskia Schimmel, Peter Wellmann, Wolfgang Schnick
In this contribution, first synthesis of semiconducting ZnSiN2 and ZnGeN2 from solution is presented with supercritical ammonia as solvent and KNH2 as ammonobasic mineralizer. The reactions were conducted in custom-built high-pressure autoclaves made of nickel-based superalloy. The nitrides were characterized by powder X-ray diffraction and their crystal structures were refined by the Rietveld method. ZnSiN2 (a = 5.24637(4), b = 6.28025(5), c = 5.02228(4) Å, Z = 4, Rwp = 0.0556) and isotypic ZnGeN2 (a = 5...
April 20, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28425702/oxidatively-induced-c-h-activation-at-high-valent-nickel
#10
Eugene Chong, Jeff W Kampf, Alireza Ariafard, Allan J Canty, Melanie S Sanford
This communication describes a series of oxidatively induced intramolecular arene C-H activation reactions of Ni(II) model complexes to yield Ni(IV) σ-aryl products. These reactions proceed within 10 min at room temperature, which represents among the mildest conditions reported for C-H cleavage at a Ni center. A combination of density functional theory and preliminary experimental mechanistic studies implicate a pathway involving initial 2e(-) oxidation of the Ni(II) starting materials by the F(+) transfer reagent N-fluoro-2,4,6-trimethylpyridinium triflate followed by triflate-assisted C-H cleavage at Ni(IV) to yield the products...
April 20, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28424520/decarboxylative-alkenylation
#11
Jacob T Edwards, Rohan R Merchant, Kyle S McClymont, Kyle W Knouse, Tian Qin, Lara R Malins, Benjamin Vokits, Scott A Shaw, Deng-Hui Bao, Fu-Liang Wei, Ting Zhou, Martin D Eastgate, Phil S Baran
Olefin chemistry, through pericyclic reactions, polymerizations, oxidations, or reductions, has an essential role in the manipulation of organic matter. Despite its importance, olefin synthesis still relies largely on chemistry introduced more than three decades ago, with metathesis being the most recent addition. Here we describe a simple method of accessing olefins with any substitution pattern or geometry from one of the most ubiquitous and variegated building blocks of chemistry: alkyl carboxylic acids...
April 19, 2017: Nature
https://www.readbyqxmd.com/read/28424190/odd-chain-fatty-acids-as-a-biomarker-for-dietary-fiber-intake-a-novel-pathway-for-endogenous-production-from-propionate
#12
Karolin Weitkunat, Sara Schumann, Daniela Nickel, Silke Hornemann, Klaus J Petzke, Matthias B Schulze, Andreas Fh Pfeiffer, Susanne Klaus
Background: The risk of type 2 diabetes is inversely correlated with plasma concentrations of odd-chain fatty acids [OCFAs; pentadecanoic acid (15:0) and heptadecanoic acid (17:0)], which are considered as biomarkers for dairy fat intake in humans. However, rodent studies suggest that OCFAs are synthesized endogenously from gut-derived propionate. Propionate increases with dietary fiber consumption and has been shown to improve insulin sensitivity.Objective: We hypothesized that OCFAs are produced in humans from dietary fibers by a novel endogenous pathway...
April 19, 2017: American Journal of Clinical Nutrition
https://www.readbyqxmd.com/read/28421737/modeling-of-stresses-and-strains-during-de-lithiation-of-ni3sn2-coated-nickel-inverse-opal-anodes
#13
Hoon-Hwe Cho, Matthew P B Glazer, David C Dunand
Tin alloy-based anodes supported by inverse-opal nano-scaffolds undergo large volume change from (de-)lithiation during cyclic battery (dis-)charging, affecting their mechanical stability. We perform continuum mechanics-based simulation to study the evolution of internal stresses and strains as a function of the geometry of the active layer(s): (i) thickness of Ni3Sn2 single layer (30 and 60 nm) and (ii) stacking sequence of Ni3Sn2 and amorphous Si in bi-layers (60 nm thick). For single Ni3Sn2 active layers, a thinner layer displays higher strains and stresses which are relevant to mechanical stability but causes lower strains and stresses in the Ni scaffold...
April 19, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28421708/control-of-vicinal-stereocenters-through-nickel-catalyzed-alkyl-alkyl-cross-coupling
#14
Xin Mu, Yu Shibata, Yusuke Makida, Gregory C Fu
Vicinal stereocenters are found in many natural and unnatural compounds. Although metal-catalyzed cross-coupling reactions of unactivated alkyl electrophiles are emerging as a powerful tool in organic synthesis, there have been virtually no reports of processes that generate, much less control, vicinal stereocenters. In this investigation, we establish that a chiral nickel catalyst can mediate doubly stereoconvergent alkyl-alkyl cross-coupling, specifically, reactions of a racemic pyrrolidine-derived nucleophile with cyclic alkyl halides (as mixtures of stereoisomers) to produce vicinal stereocenters with very good stereoselectivity...
April 19, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28421211/bioinspired-carbide-derived-carbons-with-hierarchical-pore-structure-for-the-adsorptive-removal-of-mercury-from-aqueous-solution
#15
C Fischer, M Oschatz, W Nickel, D Leistenschneider, S Kaskel, E Brunner
Biosilica of the diatom species Thalassiosira pseudonana is used as hard template for the synthesis of silicon carbide-derived carbons. The typical species-specific macroporous structure is retained during the nanocasting-chlorine treatment process and the resulting materials exhibit very high specific surface areas up to 2300 m(2) g(-1). Bioinspired carbons show very high capacities in mercury adsorption from aqueous solution compared to reference materials.
April 19, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28420186/using-moss-to-assess-airborne-heavy-metal-pollution-in-taizhou-china
#16
Xiaoli Zhou, Qin Chen, Chang Liu, Yanming Fang
Bryophytes act as bioindicators and bioaccumulators of metal deposition in the environment. To understand the atmospheric deposition of heavy metals (cadmium (Cd), chromium (Cr), copper (Cu), mercury (Hg), nickel (Ni), lead (Pb), and zinc (Zn)) in Taizhou, East China, samples of moss (Haplocladium microphyllum) were collected from 60 sites selected by a systematic sampling method during the summer of 2012, and the concentrations of these heavy metals were determined by inductively coupled plasma atomic emission spectroscopy (ICP-AES)...
April 17, 2017: International Journal of Environmental Research and Public Health
https://www.readbyqxmd.com/read/28420001/nicotinamide-n-methyltransferase-suppression-participates-in-nickel-induced-histone-h3-lysine9-dimethylation-in-beas-2b-cells
#17
Qian Li, Min-Di He, Lin Mao, Xue Wang, Yu-Lin Jiang, Min Li, Yong-Hui Lu, Zheng-Ping Yu, Zhou Zhou
BACKGROUND: Nickel compounds are well-established human carcinogens with weak mutagenic activity. Histone methylation has been proposed to play an important role in nickel-induced carcinogenesis. Nicotinamide N-methyltransferase (NNMT) decreases histone methylation in several cancer cells by altering the cellular ratio of S-adenosylmethionine (SAM) to S-adenosylhomocysteine (SAH). However, the role of NNMT in nickel-induced histone methylation remains unclear. METHODS: BEAS-2B cells were exposed to different concentrations of nickel chloride (NiCl2) for 72 h or 200 μM NiCl2 for different time periods...
April 13, 2017: Cellular Physiology and Biochemistry
https://www.readbyqxmd.com/read/28419718/shifting-microbial-communities-sustain-multiyear-iron-reduction-and-methanogenesis-in-ferruginous-sediment-incubations
#18
M S Bray, J Wu, B C Reed, C B Kretz, K M Belli, R L Simister, C Henny, F J Stewart, T J DiChristina, J A Brandes, D A Fowle, S A Crowe, J B Glass
Reactive Fe(III) minerals can influence methane (CH4 ) emissions by inhibiting microbial methanogenesis or by stimulating anaerobic CH4 oxidation. The balance between Fe(III) reduction, methanogenesis, and CH4 oxidation in ferruginous Archean and Paleoproterozoic oceans would have controlled CH4 fluxes to the atmosphere, thereby regulating the capacity for CH4 to warm the early Earth under the Faint Young Sun. We studied CH4 and Fe cycling in anoxic incubations of ferruginous sediment from the ancient ocean analogue Lake Matano, Indonesia, over three successive transfers (500 days in total)...
April 17, 2017: Geobiology
https://www.readbyqxmd.com/read/28418624/nickel-cornered-molecular-rectangles-as-polycyclic-aromatic-hydrocarbon-receptors
#19
Víctor Martínez-Agramunt, Sheila Ruiz-Botella, Eduardo Peris
Two nickel-cornered organometallic metalla-rectangles containing a pyrene-linked-di-N-heterocyclic carbene have been prepared. The dimensions of one side of the rectangle were modulated by either using pyrazine or 4,4'-bipyridine. The two molecules were tested as hosts for the recognition of seven small polycyclic aromatic hydrocarbons (PAHs) in [D6 ]acetone. By using (1) H NMR spectroscopy titrations, it could be established that the host-guest stoichiometries of the inclusion complexes formed were 1:1 for the pyrazine-based host, and 1:2 for the host containing bipyridine, in accordance with the larger dimensions of the latter...
April 18, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28418046/novel-nickel-ii-complexes-of-sterically-modified-linear-n4-ligands-effect-of-ligand-stereoelectronic-factors-and-solvent-of-coordination-on-nickel-ii-spin-state-and-catalytic-alkane-hydroxylation
#20
Muniyandi Sankaralingam, Prabha Vadivelu, Mallayan Palaniandavar
A series of Ni(ii) complexes of the types [Ni(L)(CH3CN)2](BPh4)21-3, 5 and [Ni(L4)](BPh4)24, where L = N,N'-bis(2-pyrid-2-ylmethyl)-1,4-diazepane (L1), N-(6-methylpyrid-2-ylmethyl)-N'-(pyrid-2-ylmethyl)-1,4-diazepane (L2), N,N'-bis(6-methyl-2-pyridylmethyl)-1,4-diazepane (L3), N,N'-dimethyl-N,N'-bis(2-pyridylmethyl)ethylenediamine (L5) and L4 = N,N'-bis((1-methyl-1H-imidazole-2-yl)methyl)-1,4-diazepane, have been isolated and characterized. The complex cations of 1 and 4 possess, respectively, distorted octahedral and low-spin square planar coordination geometries in which nickel(ii) is meridionally coordinated to all four nitrogen atoms of L1 and L4...
April 18, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
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