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https://www.readbyqxmd.com/read/28549378/multi-layer-snse-nanoflake-field-effect-transistors-with-low-resistance-au-ohmic-contacts
#1
Sang-Hyeok Cho, Kwanghee Cho, No-Won Park, Soonyong Park, Jung-Hyuk Koh, Sang-Kwon Lee
We report p-type tin monoselenide (SnSe) single crystals, grown in double-sealed quartz ampoules using a modified Bridgman technique at 920 °C. X-ray powder diffraction (XRD) and energy dispersive X-ray spectroscopy (EDX) measurements clearly confirm that the grown SnSe consists of single-crystal SnSe. Electrical transport of multi-layer SnSe nanoflakes, which were prepared by exfoliation from bulk single crystals, was conducted using back-gated field-effect transistor (FET) structures with Au and Ti contacts on SiO2/Si substrates, revealing that multi-layer SnSe nanoflakes exhibit p-type semiconductor characteristics owing to the Sn vacancies on the surfaces of SnSe nanoflakes...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28548851/celastrofurans-a-g-dihydro-%C3%AE-agarofurans-from-the-australian-rainforest-vine-celastrus-subspicata-and-their-inhibitory-effect-on-leucine-transport-in-prostate-cancer-cells
#2
Mario Wibowo, Qian Wang, Jeff Holst, Jonathan M White, Andreas Hofmann, Rohan A Davis
Seven new dihydro-β-agarofurans, celastrofurans A-G (1-7), along with two known secondary metabolites, 9β-benzoyloxy-1α-furoyloxydihydro-β-agarofuran (8) and (1R,2R,4R,5S,7R,9S,10R)-2-acetoxy-9-benzoyloxy-1-furoyloxydihydro-β-agarofuran (9), were obtained from the leaves of the Australian rainforest vine, Celastrus subspicata. The structures of the new compounds were determined by detailed spectroscopic (1D/2D NMR) and MS data analysis. The absolute configurations of compounds 1-4 were defined by ECD and single-crystal X-ray diffraction studies...
May 26, 2017: Journal of Natural Products
https://www.readbyqxmd.com/read/28547763/new-approaches-towards-the-understanding-of-integral-membrane-proteins-a-structural-perspective-on-g-protein-coupled-receptors
#3
REVIEW
Reinhard Grisshammer
Three-dimensional structure determination of integral membrane proteins has advanced in unprecedented detail our understanding of mechanistic events of how ion channels, transporters, receptors and enzymes function. This exciting progress required a tremendous amount of methods development, as exemplified here with G protein-coupled receptors (GPCRs): Optimizing the production of GPCRs in recombinant hosts; increasing the probability of crystal formation using high-affinity ligands, nanobodies, and minimal G proteins for co-crystallization, thus stabilizing receptors into one conformation; using the T4 lysozyme technology and other fusion partners to promote crystal contacts; advancing crystallization methods including the development of novel detergents, and miniaturization and automation of the lipidic cubic phase crystallization method; the concept of conformational thermostabilization of GPCRs; and developing microfocus X-ray synchrotron technologies to analyze small GPCR crystals...
May 25, 2017: Protein Science: a Publication of the Protein Society
https://www.readbyqxmd.com/read/28529769/une-surstructure-de-%C3%AE-ge-type-diamant-induite-par-un-dopage-d-anti-moine
#4
Adrian Gómez Herrero, Lamia Hammoudi, Mohammed Kars, Thierry Roisnel, L Carlos Otero-Diáz
Single crystals of anti-mony-doped germanium, Ge1-x Sb x+0.01 (x ≃ 0.0625), were grown by chemical transport reaction. The alloy crystallizes as a superstructure of diamond-type α-Ge. All atoms in the asymmetric unit lie on special positions and are characterized by strong covalent bonds. The anti-mony atoms substitute for one germanium atom at full occupancy at Wyckoff position 4a (site symmetry -43m), and are also at an adjacent tetra-hedral inter-stitial site with partially occupation (16%) at position 4c (or 4d) (site symmetry -43m)...
May 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28525826/formation-and-stability-of-manganese-doped-zns-quantum-dot-monolayers-determined-by-qcm-d-and-streaming-potential-measurements
#5
Magdalena Oćwieja, Katarzyna Matras-Postołek, Julia Maciejewska-Prończuk, Maria Morga, Zbigniew Adamczyk, Svitlana Sovinska, Adam Żaba, Marta Gajewska, Tomasz Król, Klaudia Cupiał, Michael Bredol
Manganese-doped ZnS quantum dots (QDs) stabilized by cysteamine hydrochloride were successfully synthesized. Their thorough physicochemical characteristics were acquired using UV-Vis absorption and photoluminescence spectroscopy, X-ray diffraction, dynamic light scattering (DLS), transmission electron microscopy (HR-TEM), energy dispersive spectroscopy (EDS) and Fourier transform infrared (FT-IR) spectroscopy. The average particle size, derived from HR-TEM, was 3.1nm, which agrees with the hydrodynamic diameter acquired by DLS, that was equal to 3-4nm, depending on ionic strength...
May 10, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28522226/electron-crystallography-reveals-that-substrate-release-from-the-pts-iic-glucose-transporter-is-coupled-to-a-subtle-conformational-change
#6
David Kalbermatter, Po-Lin Chiu, Jean-Marc Jeckelmann, Zöhre Ucurum, Thomas Walz, Dimitrios Fotiadis
The phosphoenolpyruvate-dependent sugar phosphotransferase system (PTS) is a structurally and functionally complex system that mediates sugar uptake in bacteria. Besides several soluble subunits, the glucose-specific PTS includes the integral membrane protein IICB that couples the transmembrane transport of glucose to its phosphorylation. Here, we used electron crystallography of sugar-embedded tubular crystals of the glucose-specific IIC transport domain from Escherichia coli (ecIIC(glc)) to visualize the structure of the transporter in the presence and absence of its substrate...
May 15, 2017: Journal of Structural Biology
https://www.readbyqxmd.com/read/28516987/theoretical-investigations-into-the-charge-transfer-properties-of-thiophene-%C3%AE-substituted-naphthodithiophene-diimides-excellent-n-channel-and-ambipolar-organic-semiconductors
#7
Li-Fei Ji, Jian-Xun Fan, Shou-Feng Zhang, Ai-Min Ren
A theoretical study was carried out to investigate the electronic structures and the charge transport properties of a series of naphthodithiophene diimide (NDTI) thiophene α-substituted derivatives NDTI-X using density functional theory and classical Marcus charge transfer theory. This study deeply revealed the structure-property relationships by analyzing the intermolecular interactions in crystal structures of C8-NDTI and C8-NDTI-Cl thoroughly by using the Hirshfeld surface, QTAIM theories and symmetry-adapted perturbation theory (SAPT)...
May 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28516304/strategy-for-designing-stable-and-powerful-nitrogen-rich-high-energy-materials-by-introducing-boron-atoms
#8
Wen-Jie Wu, Wei-Jie Chi, Quan-Song Li, Ze-Sheng Li
One of the most important aims in the development of high-energy materials is to improve their stability and thus ensure that they are safe to manufacture and transport. In this work, we theoretically investigated open-chain N4B2 isomers using density functional theory in order to find the best way of stabilizing nitrogen-rich molecules. The results show that the boron atoms in these isomers are aligned linearly with their neighboring atoms, which facilitates close packing in the crystals of these materials...
June 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28509548/u-iv-aqueous-speciation-from-the-monomer-to-uo2-nanoparticles-two-levels-of-control-from-zwitterionic-glycine-ligands
#9
Clément Falaise, Harrison A Neal, May Nyman
The fate of U(IV)O2 in the environment in a colloidal form and its dissolution and growth in controlled environments is influenced by organic ligation and redox processes, where both affect solubility, speciation, and transport. Here we investigate U(IV) aqueous speciation from pH 0 to 3 with the glycine (Gly) ligand, the smallest amino acid. We document evolution of the monomeric to the hexameric form from pH 0 to 3 via UV-vis spectroscopy and small-angle X-ray scattering (SAXS). Crystals of the hexamer [U6O4(OH)4(H2O)6(HGly)12]·12Cl(-)·12(H2O) (U6) were isolated at pH 2...
May 16, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28506671/modeling-of-flux-binding-and-substitution-of-urea-molecules-in-the-urea-transporter-dvut
#10
Hai-Tian Zhang, Zhe Wang, Tao Yu, Jian-Ping Sang, Xian-Wu Zou, Xiaoqin Zou
Urea transporters (UTs) are transmembrane proteins that transport urea molecules across cell membranes and play a crucial role in urea excretion and water balance. Modeling the functional characteristics of UTs helps us understand how their structures accomplish the functions at the atomic level, and facilitates future therapeutic design targeting the UTs. This study was based on the crystal structure of Desulfovibrio vulgaris urea transporter (dvUT). To model the binding behavior of urea molecules in dvUT, we constructed a cooperative binding model...
April 25, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28506526/molecular-simulation-and-biochemical-studies-support-an-elevator-type-transport-mechanism-in%C3%A2-eiic
#11
Jumin Lee, Zhenning Ren, Ming Zhou, Wonpil Im
Enzyme IIC (EIIC) is a membrane-embedded sugar transport protein that is part of the phosphoenolpyruvate-dependent phosphotransferases. Crystal structures of two members of the glucose EIIC superfamily, bcChbC in the inward-facing conformation and bcMalT in the outward-facing conformation, were previously solved. Comparing the two structures led us to the hypothesis that sugar translocation could be achieved by an elevator-type transport mechanism in which a transport domain binds to the substrate and, through rigid body motions, transports it across the membrane...
May 13, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28505443/defect-anti-perovskite-compounds-hg3q2i2-q-s-se-and-te-for-room-temperature-hard-radiation-detection
#12
Yihui He, Oleg Y Kontsevoi, Constantinos C Stoumpos, Giancarlo Trimarchi, Saiful M Islam, Zhifu Liu, Svetlana S Kostina, Sanjib Das, Bruce W Wessels, Mercouri G Kanatzidis, Joon-Il Kim, Wenwen Lin
The high Z chalcohalides Hg3Q2I2 (Q = S, Se and Te) can be regarded as anti-perovskite structure with ordered vacancies and are demonstrated to be very promising candidates for X- and γ-ray semiconductor detectors. Depending on Q the ordering of the Hg vacancies in these defect anti-perovskites varies and yields a rich family of distinct crystal structures ranging from zero-dimensional to three-dimensional, with a dramatic effect on the properties of each compound. All three Hg3Q2I2 compounds show very suitable optical, electrical, and good mechanical properties required for radiation detection at room temperature...
May 15, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28499269/identification-of-novel-serotonin-reuptake-inhibitors-targeting-central-and-allosteric-binding-sites-a-virtual-screening-and-molecular-dynamics-simulations-study
#13
Ismail Erol, Busecan Aksoydan, Isik Kantarcioglu, Ramin E Salmas, Serdar Durdagi
The serotonin (5-hydroxytryptamine, 5HT) transporter (SERT) is a member of neurotransmitter sodium symporter (NSS) family, which maintains neurotransmitter by reuptaking 5HT into synapses. Decrease in serotonin concentrations in synaptic clefts have been reported to cause psychological and neurological disorders. Therefore, inhibition of SERT is a potent strategy for the treatment of related diseases such as depression. In this study, approximately 260,000 small molecules from an available chemical database have been virtually screened both at central and allosteric binding sites of SERT to identify potent novel candidate SERT inhibitors...
March 22, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28489346/metal-organic-frameworks-at-the-biointerface-synthetic-strategies-and-applications
#14
Christian Doonan, Raffaele Riccò, Kang Liang, Darren Bradshaw, Paolo Falcaro
Many living organisms are capable of producing inorganic materials of precisely controlled structure and morphology. This ubiquitous process is termed biomineralization and is observed in nature from the macroscale (e.g., formation of exoskeletons) down to the nanoscale (e.g., mineral storage and transportation in proteins). Extensive research efforts have pursued replicating this chemistry with the overarching aims of synthesizing new materials of unprecedented physical properties and understanding the complex mechanisms that occur at the biological-inorganic interface...
May 10, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28487534/operando-sxrd-study-of-the-structure-and-growth-process-of-cu2s-ultra-thin-films
#15
Andrea Giaccherini, Serena Cinotti, Annalisa Guerri, Francesco Carlà, Giordano Montegrossi, Francesco Vizza, Alessandro Lavacchi, Roberto Felici, Francesco Di Benedetto, Massimo Innocenti
Electrochemical Atomic Layer Deposition (E-ALD) technique has demonstrated to be a suitable process for growing compound semiconductors, by alternating the under-potential deposition (UPD) of the metallic element with the UPD of the non-metallic element. The cycle can be repeated several times to build up films with sub-micrometric thickness. We show that it is possible to grow, by E-ALD, Cu2S ultra-thin films on Ag(111) with high structural quality. They show a well ordered layered crystal structure made on alternating pseudohexagonal layers in lower coordination...
May 9, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28485437/crossover-from-localized-to-itinerant-states-in-hydrocarbon-mott-insulators
#16
Quynh T N Phan, Shimpei Oikawa, Satoshi Heguri, Yuki Matsuda, Katsumi Tanigaki
Crossover from an itinerant state to an isolated electronic state in electron-doped polycyclic aromatic hydrocarbon (PAH) was studied for the two smallest zigzag-type molecules of naphthalene (NN) and anthracene (AN) by focusing on their 1 : 1 stoichiometry, A1(NN) and A1(AN), with alkali metals (A = K and Rb). The competition between on-site Coulombic repulsion energy (U) and bandwidth (W) was argued in terms of their magnetic and electrical properties upon lattice expansion, when A varies from K, with a smaller ionic radius, to Rb, with a larger ionic radius...
May 9, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28481063/high-photon-to-current-conversion-in-solar-cells-based-on-light-absorbing-silver-bismuth-iodide-with-space-group-r%C3%A2-3m-crystal-structure
#17
Huimin Zhu, Mingao Pan, Malin B Johansson, Erik Johansson
In this report a lead-free silver-bismuth-iodide (AgI:BiI3) with a crystal structure with space group R3m is investigated for use in solar cells. Devices based on the silver-bismuth-iodide deposited from solution on top of TiO2, and the conducting polymer P3HT as a hole transport layer, are prepared and the photovoltaic performance is very promising with a power conversion efficiency over 2 %, which is higher than the performance of previously reported bismuth-halide materials for solar cells. Photocurrent generation is observed between 350 and 700 nm, and the maximum external quantum efficiency is around 45 %...
May 8, 2017: ChemSusChem
https://www.readbyqxmd.com/read/28474899/liquefaction-of-biopolymers-solvent-free-liquids-and-liquid-crystals-from-nucleic-acids-and-proteins
#18
Kai Liu, Chao Ma, Robert Göstl, Lei Zhang, Andreas Herrmann
Biomacromolecules, such as nucleic acids, proteins, and virus particles, are persistent molecular entities with dimensions that exceed the range of their intermolecular forces hence undergoing degradation by thermally induced bond-scission upon heating. Consequently, for this type of molecule, the absence of a liquid phase can be regarded as a general phenomenon. However, certain advantageous properties usually associated with the liquid state of matter, such as processability, flowability, or molecular mobility, are highly sought-after features for biomacromolecules in a solvent-free environment...
May 16, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28471368/the-first-plant-acyl-coa-binding-protein-structures-the-close-homologues-osacbp1-and-osacbp2-from-rice
#19
Ze Hua Guo, Wallace H Y Chan, Geoffrey K W Kong, Quan Hao, Mee Len Chye
Acyl-CoA-binding proteins (ACBPs) are a family of proteins that facilitate the binding of long-chain acyl-CoA esters at a conserved acyl-CoA-binding domain. ACBPs act to form intracellular acyl-CoA pools, transport acyl-CoA esters and regulate lipid metabolism. In the model plant Arabidopsis thaliana, a family of six ACBPs has been demonstrated to function in stress and development. Six ACBPs (OsACBPs) have also been identified in Oryza sativa (rice), but they are not as well characterized as those in Arabidopsis thaliana...
May 1, 2017: Acta Crystallographica. Section D, Structural Biology
https://www.readbyqxmd.com/read/28471356/increasing-the-soluble-expression-and-crystallization-of-the-escherichia-coli-quorum-sensing-protein-lsrk
#20
Jung Hye Ha, Yumi Eo, Hee Chul Ahn, Kyoung Seok Ryu
LsrK is one of the key components of the luxS-regulated (lsr) operon in Escherichia coli and plays an important role during the quorum-sensing (QS) process mediated by autoinducer-2 (AI-2). The AI-2 molecule is imported into the cell by the LsrACB transporter and is subsequently phosphorylated (to AI-2-P) by LsrK. AI-2-P binds to the repressor protein of the lsr operon (LsrR) and triggers various cellular responses related to QS by dissociating LsrR from the DNA. Although a large amount of purified LsrK is required for structural studies, recombinant GST-LsrK was mostly expressed in an insoluble form...
May 1, 2017: Acta Crystallographica. Section F, Structural Biology Communications
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