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https://www.readbyqxmd.com/read/29161670/construction-of-plasmonic-ag-modified-phosphorous-doped-ultrathin-g-c3n4-nanosheets-bivo4-photocatalyst-with-enhanced-visible-near-infrared-response-ability-for-ciprofloxacin-degradation
#1
Yaocheng Deng, Lin Tang, Chengyang Feng, Guangming Zeng, Jiajia Wang, Yaoyu Zhou, Yani Liu, Bo Peng, Haopeng Feng
To realize the full utilization of solar energy, the design of highly efficient photocatalyst with improved visible-near-infrared photocatalysis performance has attracted great attentions for environment pollutant removal. In this work, we rationally employed the surface plasmon resonance effect of metallic Ag in the phosphorus doped ultrathin g-C3N4 nanosheets (PCNS) and BiVO4 composites to construct a ternary Ag@PCNS/BiVO4 photocatalyst. It was applied for the photodegradation of ciprofloxacin (CIP), exhibiting 92...
November 15, 2017: Journal of Hazardous Materials
https://www.readbyqxmd.com/read/29161503/hierarchical-mesoporous-nio-mno2-pani-core-shell-microspheres-highly-efficient-and-stable-bifunctional-electrocatalysts-for-oxygen-evolution-and-reduction-reactions
#2
Junkai He, Mingchao Wang, Wenbo Wang, Ran Miao, Wei Zhong, Sheng-Yu Chen, Shannon Poges, Tahereh Jafari, Wenqiao Song, Jiachen Liu, Steven L Suib
We report on the new facile synthesis of mesoporous NiO/MnO2 in one-step by modifying inverse micelle templated UCT (University of Connecticut) methods. The catalyst shows excellent electrocatalytic activity and stability for both the oxygen evolution reaction (OER) and the oxygen reduction reaction (ORR) in alkaline media after further coating with polyaniline. For electrochemical performance, the optimized catalyst exhibits a potential gap, ΔE, of 0.75 V to achieve a current of 10 mA cm-2 for the OER and -3 mA cm-2 for the ORR in 0...
November 21, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29161196/emergence-of-mixed-oil-fat-emulsions-for-use-in-parenteral-nutrition
#3
Manpreet S Mundi, Robert Martindale, Ryan T Hurt
Since early work by Wretlind and Schuberth led to the development of a stable and safe intravenous fat emulsion (IFE) using soybean oil (SO) and egg phospholipid emulsifier, IFEs have become a crucial source of essential fatty acids and nonprotein energy in parenteral nutrition. However, largely due to their high ω-6 polyunsaturated fatty acid (PUFA) and phytosterol content, SO IFEs have been associated with complications, including a proinflammatory profile and hypertriglyceridemia, as well as intestinal failure-associated liver disease...
November 1, 2017: JPEN. Journal of Parenteral and Enteral Nutrition
https://www.readbyqxmd.com/read/29161033/carbon-quantum-dots-grafted-antifouling-membranes-for-osmotic-power-generation-via-pressure-retarded-osmosis-process
#4
Die Ling Zhao, Subhabrata Das, Tai-Shung Chung
Osmotic power generated by pressure-retarded osmosis (PRO) has attracted global attention as a clean, abundant and renewable energy resource. However, the substrates of PRO membranes are particularly prone to fouling because of their direct contact with various foulants in raw water. This leads to a significant decline in power density and impedes the commercialization of PRO technology. In this work, a facile surface modification method has been developed to obtain a new type of nanoparticle functionalized antifouling PRO membranes...
November 21, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/29161026/conditional-reversible-work-coarse-grained-models-of-molecular-liquids-with-coulomb-electrostatics-a-proof-of-concept-study-on-weakly-polar-organic-molecules
#5
Gregor Deichmann, Nico F A van der Vegt
Scale bridging simulations of soft matter rely on the availability of transferable coarse-grained models. In systematic coarse-graining approaches, core principles of statistical mechanics are used to relate the coarse-grained models to the underlying molecular interactions. The conditional reversible work (CRW) method provides effective, nonbonded pair potentials by means of computing coupling free energies between mapped chemical groups. This method has so far been used almost exclusively for systems composed of apolar organic molecules, but additional challenges arise when developing coarse-grained models for polar molecules in which (long-ranged) electrostatic interactions are important...
November 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29160871/molecular-mechanism-of-activation-of-burkholderia-cepacia-lipase-at-aqueous-organic-interfaces
#6
Ivan Pires de Oliveira, Gabriel Ernesto Jara, Leandro Martínez
Lipases are water-soluble enzymes that catalyze the hydrolysis of lipids. Since lipids are mostly hydrophobic, lipase activity occurs preferentially at interfaces of aqueous and organic phases. In this work, we study the molecular mechanisms by which the Burkholderia cepacia lipase (BCL) is activated at interfaces of water with octane and with methyl caprylate (CAME). We show that BCL assumes very rapidly a preferential orientation at the interfaces, in which the active site is exposed to the organic phase...
November 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29160687/janus-reactors-with-highly-efficient-enzymatic-co2-nanocascade-at-air-liquid-interface
#7
Song Gao, Munirah Mohammad, Hao-Cheng Yang, Jia Xu, Kang Liang, Jingwei Hou, Vicki Chen
Though enzymatic cascade reactors have been the subject of intense research over the past few years, their application is still limited by the complicated fabrication protocols, unsatisfactory stability and lack of effective reactor designs. In addition, the spatial positioning of the cascade reactor has so far not been investigated, which is of significant importance for bi-phase catalytic reaction systems. Inspired by the Janus properties of the lipid cellular membrane, here we show a highly efficient Janus gas-liquid reactor for CO2 hydration and conversion...
November 21, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29160617/exploring-the-enantiorecognition-mechanism-of-cinchona-alkaloid-based-zwitterionic-chiral-stationary-phases-and-the-basic-trans-paroxetine-enantiomers
#8
Roccaldo Sardella, Antonio Macchiarulo, Fabrizio Urbinati, Federica Ianni, Andrea Carotti, Michal Kohout, Wolfgang Lindner, Antal Péter, István Ilisz
The enantiomers of trans-paroxetine (the selectand) were separated on four chiral stationary phases incorporating either quinine [ZWIX(+), ZWIX(+A)] or quinidine [ZWIX(-), ZWIX(-A)] and (R,R)-aminocyclohexanesulfonic acid [in ZWIX(-), and ZWIX(+A)] or (S,S)- aminocyclohexanesulfonic acid [in ZWIX(+), and ZWIX(-A)] chiral selectors. The zwitterion nature of the phases is due to the presence of either (R,R)- or (S,S)-aminocyclohexanesulfonic acid in the selector structure bearing the quinuclidine moiety. ZWIX(+), ZWIX(-) phases are available on the market with the commercial names CHIRALPAK ZWIX(+) and CHIRALPAK ZWIX(-), respectively...
November 21, 2017: Journal of Separation Science
https://www.readbyqxmd.com/read/29160593/xb-or-not-xb-that-is-the-question-the-interaction-modes-of-haloimidazolium-salts-in-solution
#9
Nils Schulz, Pandian Sokkar, Elric Engelage, Severin Schindler, Mate Erdelyi, Elsa Sanchez-Garcia, Stefan Matthias Huber
We performed a comparative study on the interaction mode of 2-haloimidazolium salts with anions in solution, particularly with regard to halogen bonding, hydrogen bonding and anion-π interactions. The syntheses and solid-state analyses of a series of sterically and electronically modified 2-haloimidazolium structures is presented. Detailed isothermal titration calorimetry (ITC) measurements, quantum mechanics/molecular mechanics (QM/MM MD), classical molecular dynamics simulations (MD) and free energy calculations together with NMR were used to elucidate the binding mode in solution...
November 21, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29160328/unravelling-the-energy-transfer-of-er-3-self-sensitized-upconversion-in-er-3-yb-3-er-3-clustered-core-shell-nanoparticles
#10
Bolong Huang, Mingzi Sun, Alan William Dougherty, Hao Dong, Yue-Jiao Xu, Ling-Dong Sun, Chun-Hua Yan
Unravelling upconversion (UC) energy transfer mechanisms is significant for designing novel efficient anti-Stokes phosphors. We have studied the correlation of different lanthanide dopants within Er(3+)-self-sensitized core@shell upconversion nanoparticles (UCNPs). Here, our focus will be on high-concentration dopants that are able to sufficiently produce the clustering effect, especially within the interplay between Er(3+) and Yb(3+). We demonstrate that whatever the amount of the self-sensitizer (e.g., Er(3+)), abnormal absorption enhancement will occur as long as Yb(3+) clusters are present...
November 21, 2017: Nanoscale
https://www.readbyqxmd.com/read/29159807/experimental-investigation-of-gafchromic-%C3%A2-ebt3-intrinsic-energy-dependence-with-kilovoltage-x-rays-137-cs-and-60-co
#11
Cliff G Hammer, Benjamin Saul Rosen, Jessica M Fagerstrom, Wesley S Culberson, Larry A DeWerd
PURPOSE: To determine experimentally the intrinsic energy response, kbq , of EBT3 GafChromic(®) radiochromic film with kilovoltage x-rays,(137) Cs, and (60) Co in therapeutic and diagnostic dose ranges through direct measurement with an accompanying mathematical approach to describe the physical processes involved. METHODS: EBT3 film was irradiated to known doses using (60) Co, (137) Cs, and 13 NIST-matched kilovoltage x-ray beams. Seven dose levels, ranging from 57 to 7002 mGy, were chosen for this work...
November 21, 2017: Medical Physics
https://www.readbyqxmd.com/read/29159361/ultraflexible-and-tailorable-all-solid-state-supercapacitors-using-polyacrylamide-based-hydrogel-electrolyte-with-high-ionic-conductivity
#12
Huili Li, Tian Lv, Ning Li, Yao Yao, Kai Liu, Tao Chen
Hydrogels with high ionic conductivity consisting of a cross-linked polymer network swollen in water are very promising to be used as an electrolyte for all-solid-state supercapacitors. However, there are rather few flexible supercapacitors using ionic conducting hydrogel electrolytes reported to date. In this work, highly flexible and ionic conducting polyacrylamide hydrogels were synthesized through a simple approach. On using the ionic hydrogels as the electrolyte, the resulting supercapacitors not only exhibited a high specific capacitance but also showed a long self-discharge time (over 10 hours to the half of original open-circuit voltage) and a low leakage current...
November 21, 2017: Nanoscale
https://www.readbyqxmd.com/read/29159357/characterizing-the-interplay-of-pauli-repulsion-electrostatics-dispersion-and-charge-transfer-in-halogen-bonding-with-energy-decomposition-analysis
#13
Jonathan Thirman, Elric Engelage, Stefan M Huber, Martin Head-Gordon
The halogen bond is a class of non-covalent interaction that has attracted considerable attention recently. A widespread theory for describing them is the σ-hole concept, which predicts that the strength of the interaction is proportional to the size of the σ-hole, a region of positive electrostatic potential opposite a σ bond. Previous work shows that in the case of CX3I, with X equal to F, Cl, Br, and I, the σ-hole trend is exactly opposite to the trend in binding energy with common electron pair donors...
November 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29159343/an-insight-into-intrinsic-interfacial-properties-between-li-metals-and-li10gep2s12-solid-electrolytes
#14
Bingbing Chen, Jiangwei Ju, Jun Ma, Jianjun Zhang, Ruijuan Xiao, Guanglei Cui, Liquan Chen
Density functional theory simulations and experimental studies were performed to investigate the interfacial properties, including lithium ion migration kinetics, between lithium metal anode and solid electrolyte Li10GeP2S12(LGPS). The LGPS[001] plane was chosen as the studied surface because the easiest Li(+) migration pathway is along this direction. The electronic structure of the surface states indicated that the electrochemical stability was reduced at both the PS4- and GeS4-teminated surfaces. For the interface cases, the equilibrium interfacial structures of lithium metal against the PS4-terminated LGPS[001] surface (Li/PS4-LGPS) and the GeS4-terminated LGPS[001] surface (Li/GeS4-LGPS) were revealed based on the structural relaxation and adhesion energy analysis...
November 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29158561/using-a-single-vcsel-source-employing-ofdm-downstream-signal-and-remodulated-ook-upstream-signal-for-bi-directional-visible-light-communications
#15
Chien-Hung Yeh, Liang-Yu Wei, Chi-Wai Chow
In this work, we propose and demonstrate for the first time up to our knowledge, using a 682 nm visible vertical-cavity surface-emitting laser (VCSEL) applied in a bi-directional wavelength remodulated VLC system with a free space transmission distance of 3 m. To achieve a high VLC downstream traffic, spectral efficient orthogonal-frequency-division-multiplexing quadrature-amplitude-modulation (OFDM-QAM) with bit and power loading algorithms are applied on the VCSEL in the central office (CO). The OFDM downstream wavelength is remodulated by an acousto-optic modulator (AOM) with OOK modulation to produce the upstream traffic in the client side...
November 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29158222/trehalose-metabolism-genes-render-rice-white-tip-nematode-aphelenchoides-besseyi-nematoda-aphelenchoididae-resistant-to-anaerobic-environment
#16
Qiaoli Chen, Feng Wang, Danlei Li, Ruizhi Zhang, Yaming Ling
After experiencing anaerobic environments, Aphelenchoides besseyi will enter a state of suspended animation known as anoxybiosis, which may use trehalose for energy supply to survive. To identify the function of trehalose metabolism, two trehalose-6-phosphate synthase (TPS) genes (Ab-tps1 and Ab-tps2) encoding enzymes catalyzing trehalose synthesis and three trehalase (TRE) genes (Ab-ntre1, Ab-ntre2 and Ab-atre) encoding enzymes catalyzing the hydrolysis of trehalose were identified and investigated. Ab-tps1 and Ab-tps2 were active when A...
November 20, 2017: Journal of Experimental Biology
https://www.readbyqxmd.com/read/29156650/nondestructive-evaluation-of-carbon-fiber-bicycle-frames-using-infrared-thermography
#17
Rubén Usamentiaga, Clemente Ibarra-Castanedo, Matthieu Klein, Xavier Maldague, Jeroen Peeters, Alvaro Sanchez-Beato
Bicycle frames made of carbon fibre are extremely popular for high-performance cycling due to the stiffness-to-weight ratio, which enables greater power transfer. However, products manufactured using carbon fibre are sensitive to impact damage. Therefore, intelligent nondestructive evaluation is a required step to prevent failures and ensure a secure usage of the bicycle. This work proposes an inspection method based on active thermography, a proven technique successfully applied to other materials. Different configurations for the inspection are tested, including power and heating time...
November 20, 2017: Sensors
https://www.readbyqxmd.com/read/29156564/wireless-monitoring-of-induction-machine-rotor-physical-variables
#18
Jefferson Doolan Fernandes, Francisco Elvis Carvalho Souza, Glauco George Cipriano Maniçoba, Andrés Ortiz Salazar, José Alvaro de Paiva
With the widespread use of electric machines, there is a growing need to extract information from the machines to improve their control systems and maintenance management. The present work shows the development of an embedded system to perform the monitoring of the rotor physical variables of a squirrel cage induction motor. The system is comprised of: a circuit to acquire desirable rotor variable(s) and value(s) that send it to the computer; a rectifier and power storage circuit that converts an alternating current in a continuous current but also stores energy for a certain amount of time to wait for the motor's shutdown; and a magnetic generator that harvests energy from the rotating field to power the circuits mentioned above...
November 18, 2017: Sensors
https://www.readbyqxmd.com/read/29156380/structure-based-design-of-herg-neutral-antihypertensive-oxazalone-and-imidazolone-derivatives
#19
Busecan Aksoydan, Isik Kantarcioglu, Ismail Erol, Ramin Ekhteiari Salmas, Serdar Durdagi
Angiotensin II receptor type 1 (AT1) antagonists are the most recent drug class against hypertension. Recently first crystal structure of AT1 receptor is deposited to the protein data bank (PDB ID: 4YAY). In this work, several molecular screening methods such as molecular docking and de novo design studies were performed and it is found that oxazolone and imidazolone derivatives reveal similar/better interaction energy profiles compared to the FDA approved sartan molecules at the binding site of the AT1 receptor...
October 18, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29156218/use-of-luminescent-gunshot-residues-markers-in-forensic-context-part-ii
#20
A M Arouca, M A M Lucena, R J Rossiter, M Talhavini, I T Weber
Gunshot residues (GSR) are important physical evidence in firearm-related crimes. Recently developed non-toxic ammunition, however, requires a new methodology for its characterization. To overcome this drawback, the introduction of noncommercial luminescent markers in ammunition was proposed. These markers, synthesized and added to the gunpowder, presented as a versatile tool for GSR analysis, since they require UV radiation alone to visualize the luminescent GSR (LGSR). This has opened up new perspectives for understanding GSR behavior at a crime scene...
November 6, 2017: Forensic Science International
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