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Yash Gandhi, Timothy Eley, Aberra Fura, Wenying Li, Richard J Bertz, Tushar Garimella
Daclatasvir is a first-in-class, highly selective, hepatitis C virus, non-structural protein 5a polymerase replication complex inhibitor with picomolar potency and broad genotypic coverage in vitro. Daclatasvir undergoes rapid absorption, with a time to reach maximum plasma concentration of 1-2 h and an elimination half-life of ~ 10 to 14 h observed in single-ascending dose studies. Steady state was achieved by day 4 in multiple-ascending dose studies. Daclatasvir can be administered without regard to food or pH modifiers...
January 20, 2018: Clinical Pharmacokinetics
Kazuyuki Sakuma, Hideki Tsuji, Seiji Hayashi, Hironori Funaki, Alex Malins, Kazuya Yoshimura, Hiroshi Kurikami, Akihiro Kitamura, Kazuki Iijima, Masaaki Hosomi
A study is presented on the applicability of the distribution coefficient (Kd) absorption/desorption model to simulate dissolved 137Cs concentrations in Fukushima river water. The upstream Ota River basin was simulated using GEneral-purpose Terrestrial Fluid-flow Simulator (GETFLOWS) for the period 1 January 2014 to 31 December 2015. Good agreement was obtained between the simulations and observations on water and suspended sediment fluxes, and on particulate bound 137Cs concentrations under both base and high flow conditions...
January 17, 2018: Journal of Environmental Radioactivity
Roxana-Mihaela Apetrei, Geta Carac, Gabriela Bahrim, Almira Ramanaviciene, Arunas Ramanavicius
The enhancement of bioelectrochemical properties of microorganism by in situ formation of conducting polymer within the cell structures (e.g. cell wall) was performed. The synthesis of polypyrrole (Ppy) within fungi (Aspergillus niger) cells was achieved. Two different Aspergillus niger strains were selected due to their ability to produce glucose oxidase, which initiated the Ppy formation through products of enzymatic reaction. The evolution of Ppy structural features was investigated by absorption spectroscopy, cyclic voltammetry and Fourier transform infrared spectroscopy...
January 6, 2018: Bioelectrochemistry
Shihao Hu, Shichao Bi, Dong Yan, Zhongzheng Zhou, Guohui Sun, Xiaojie Cheng, Xiguang Chen
In this work, a composite sponge was produced by physically mixing hydroxybutyl chitosan with chitosan to form a porous spongy material through vacuum freeze-drying. Hydrophilic and macroporous composite hydroxybutyl chitosan sponge was developed via the incorporation of chitosan into hydroxybutyl chitosan. The composite sponge showed higher porosity (about 85%), greater water absorption (about 25 times), better softness and lower blood-clotting index (BCI) than those of chitosan sponge and hydroxybutyl chitosan sponge...
March 15, 2018: Carbohydrate Polymers
Honglei Chen, Guangqian Lan, Luoxiao Ran, Yang Xiao, Kun Yu, Bitao Lu, Fangying Dai, Dayang Wu, Fei Lu
A novel Konjac glucomannan/silver nanoparticle (KGM/AgNP) composite sponge was successfully prepared via a simple 2-step method for biomedical applications as wound-healing materials. First, AgNPs were prepared with green deoxidizer egg white. Then, KGM powder was added to the AgNP solution and stirred vigorously, and the composite sponge was obtained by freeze-drying. The KGM/AgNP composite sponge showed excellent water absorption and water retention, and considerable mechanical properties. KGM/AgNP composite sponges displayed good antibacterial activity against test microorganisms...
March 1, 2018: Carbohydrate Polymers
Tsitsi Chimhashu, Linda Malan, Jeannine Baumgartner, Paul J van Jaarsveld, Valeria Galetti, Diego Moretti, Cornelius M Smuts, Michael B Zimmermann
Zn status may affect fatty acid (FA) metabolism because it acts as a cofactor in FA desaturase and elongase enzymes. Zn supplementation affects the FA desaturases of Zn-deficient rats, but whether this occurs in humans is unclear. We evaluated the associations between baseline plasma Zn (PZn) concentration and plasma total phospholipid FA composition, as well as the effect of daily consumption of Zn-fortified water on FA status in Beninese children. A 20-week, double-blind randomised controlled trial was conducted in 186 school age children...
January 21, 2018: British Journal of Nutrition
Takayoshi Ishimoto, Michihisa Koyama
To understand the enhanced effects and new hydrogen absorption properties of metal nanoparticles, we theoretically investigated the hydrogen absorption in Pd nanoparticles, adopting the Pd405 model of ca. 2.5 nm by using density functional theory. Pd405 showed inhomogeneous geometric features, especially near the surface region. The hydrogen absorptions in octahedral (O) and tetrahedral (T) sites near the core region were stable and unstable, respectively, similar to the Pd bulk. We clearly demonstrated the possibility of hydrogen absorption in T sites near the surface of Pd405...
January 21, 2018: Journal of Chemical Physics
Bernardo de Souza, Frank Neese, Róbert Izsák
In this work, we present and implement the theory for calculating fluorescence rates and absorption and emission spectra from first principles, using the path integral approach. We discuss some approximations and modifications to the full set of equations that improve speed and numerical stability for the case when a large number of modes are considered. New methods to approximate the excited state potential energy surface are also discussed and it is shown that for most purposes, these can be used instead of a full geometry optimization to obtain the rates mentioned above...
January 21, 2018: Journal of Chemical Physics
Gong Chen, Weina Xu, Diannan Lu, Jianzhong Wu, Zheng Liu
Enzyme immobilization with a nanostructure material can enhance its stability and facilitate reusability. However, the apparent activity is often compromised due to additional diffusion barriers and complex interactions with the substrates and solvent molecules. The present study elucidates the effects of the surface hydrophobicity of nano-confinement on CO2 diffusion to the active site of human carbonic anhydrase II (CA), an enzyme that is able to catalyze CO2 hydration at extremely high turnover rates. Using the Markov-state model in combination with coarse-grained molecular dynamics simulations, we demonstrate that a hydrophobic cage increases CO2 local density but hinders its diffusion towards the active site of CA under confinement...
January 21, 2018: Journal of Chemical Physics
Prashanth Manda, Carmen Popescu, Abhishek Juluri, Karthik Janga, Praneeth Rao Kakulamarri, Sushmitha Narishetty, S Narasimha Murthy, Michael A Repka
The following research study focuses on improving the solubility of zaleplon (BCS class II drug) via micronization technique in order to enhance its oral delivery in orodispersible formulations. Zaleplon along with a surfactant solution was micronized by ultrasonication. The micronization process reduced the particle size of the crystalline drug about six-fold from its original size of 155.5 μm. The micronized zalepon dispersion was lyophilized to allow for a change in the state of matter (to a powder). The superior dissolution parameters (Q5, Q30, IDR, MDR, MDT, DE, and RDR) of zaleplon in microcrystalline form over the original crystalline form in in vitro dissolution studies had unraveled that micronization technique is an efficient tool in enhancing drug solubility...
January 19, 2018: AAPS PharmSciTech
Haixin Yu, Jing Li, Yaning Luan
Mercury pollution in soil poses serious risks to human health through consumption of contaminated vegetables. We used a meta-analysis to examine the mercury enrichment ability of different vegetables and the main factors affecting mercury uptake. We drew the following conclusions. (1) Plants with a lower bioconcentration factor (BCF) include cowpea, long bean, and radish, whereas plants with a higher BCF include green pepper, spinach, cabbage, and Chinese cabbage. (2) Leaf and cucurbit have the highest and lowest capacity, respectively, for mercury enrichment...
January 19, 2018: Scientific Reports
N A Usov, M S Nesmeyanov, V P Tarasov
Magnetic vortices existing in soft magnetic nanoparticles with sizes larger than the single-domain diameter can be efficient nano-heaters in biomedical applications. Using micromagnetic numerical simulation we prove that in the optimal range of particle diameters the magnetization reversal of the vortices in spherical iron and magnetite nanoparticles is possible for moderate amplitudes of external alternating magnetic field, H0 < 100 Oe. In contrast to the case of superparamagnetic nanoparticles, for the vortex configuration the hysteresis loop area increases as a function of frequency...
January 19, 2018: Scientific Reports
Chih-Ming Lin, I-Jui Hsu, Sin-Cheng Lin, Yu-Chun Chuang, Wei-Ting Chen, Yen-Fa Liao, Jenh-Yih Juang
The evolution of iron local vibrational mode (Fe LVM) and phase transitions in n-type iron-doped indium phosphide (InP:Fe) were investigated at ambient temperature. In-situ angle-dispersive X-ray diffraction measurements revealed that InP:Fe starts to transform from zinc-blende (ZB) to rock-salt (RS) structure around 8.2(2) GPa and completes around 16.0(2) GPa. The Raman shift of both transverse and longitudinal optical modes increases monotonically with increasing pressure, while their intensities become indiscernible at 11...
January 19, 2018: Scientific Reports
Sha Deng, Guohua Gu, Baoke Xu, Lijuan Li, Bichao Wu
The surface properties of arsenopyrite during chemical and biological oxidation were investigated by synchrotron X-ray diffraction (S-XRD), X-ray absorption near-edge structure (XANES) and scanning electron microscope (SEM), accompanying with leaching behaviors elucidation. The moderate thermophile S. thermosulfidooxdians was used as the bioleaching microorganism. Leaching experiments showed that only 16.26% and 44.37% of total arsenic extractions were obtained for sterile acid and culture medium controls, whereas 79...
January 16, 2018: Science of the Total Environment
Kristin K Clark, Stephen P Mezyk, Amberashley Abbott, James J Kiddle
Absolute second-order rate constants for hydroxyl radical (HO) reaction with four organophosphorus pesticides, malathion, parathion, fenthion and ethion, and a suite of model compounds of structure (EtO)2P(S)-X (where X = Cl, F, SH, SEt, OCH2CF3, OEt, NH2, and CH3) were measured using electron pulse radiolysis and transient absorption techniques. Specific values were determined for these four pesticides as k = (3.89 ± 0.28) x 109, (2.20 ± 0.15) x 109, (2.02 ± 0.15) x 109 and (2.93 ± 0...
December 30, 2017: Chemosphere
Xiaorong Zhang, Aysu Yarman, Júlia Erdossy, Sagie Katz, Ingo Zebger, Katharina J Jetzschmann, Zeynep Altintas, Ulla Wollenberger, Róbert E Gyurcsányi, Frieder W Scheller
Molecularly imprinted polymer (MIP) nanofilms for transferrin (Trf) have been synthesized on gold surfaces by electro-polymerizing the functional monomer scopoletin in the presence of the protein target or around pre-adsorbed Trf. As determined by atomic force microscopy (AFM) the film thickness was comparable with the molecular dimension of the target. The target (re)binding properties of the electro-synthesized MIP films was evaluated by cyclic voltammetry (CV) and square wave voltammetry (SWV) through the target-binding induced permeability changes of the MIP nanofilms to the ferricyanide redox marker, as well as by surface plasmon resonance (SPR) and surface enhanced infrared absorption spectroscopy (SEIRAS) of the immobilized protein molecules...
January 9, 2018: Biosensors & Bioelectronics
Qichun Zhang, Yiqun Li, Mengzhu Liu, Jinao Duan, Xueping Zhou, Huaxu Zhu
Tripterygium wilfordii (TW) and the representative active component triptolide show positive therapeutic effect on the autoimmune disorders and simultaneously ineluctable hepatotoxicity and nephrotoxicity. Combinational application of Panax notoginseng (PN) and Rehmannia glutinosa (RG) weakens the toxicity of TW according the clinical application of traditional Chinese medicine. This article was aimed at the mechanism of decreasing toxicity of TW by the combinational application of PN and RG. Biochemical and pathohistological analysis were utilized to assess the toxicity on liver and kidney in rats administrated with TW, TW-PN, TW-RG and TW-PN-RG for 3 and 7 days...
January 19, 2018: International Journal of Molecular Sciences
Zachary R Dunbar, Ananth Das, Richard J O'Connor, Maciej L Goniewicz, Binnian Wei, Mark J Travers
Few published studies have investigated the presence of lead in the e-liquid of electronic nicotine delivery systems (ENDS). Lead inhalation is associated with increased risk of stroke, heart disease, and other diseases. This study used a novel application of graphite furnace technology to compare the concentration of lead between e-liquids of different packaging and product designs using e-liquids that are or were commercially available in the United States and Canada. Eleven nicotine-free disposable ENDS devices and 12 bottled refill solutions that contained nicotine were purchased from retailers in Canada and the United States between 2015 and 2017...
January 19, 2018: International Journal of Environmental Research and Public Health
Chiao-Yu Cheng, Rijul Dhanker, Christopher L Gray, Sukrit Mukhopadhyay, Eric R Kennehan, John B Asbury, Anatoliy Sokolov, Noel C Giebink
We report strong coupling between light and polaron optical excitations in a doped organic semiconductor microcavity at room temperature. Codepositing MoO_{3} and the hole transport material 4, 4^{'}-cyclohexylidenebis[N, N-bis(4-methylphenyl)benzenamine] introduces a large hole density with a narrow linewidth optical transition centered at 1.8 eV and an absorption coefficient exceeding 10^{4}  cm^{-1}. Coupling this transition to a Fabry-Pérot cavity mode yields upper and lower polaron polariton branches that are clearly resolved in angle-dependent reflectivity with a vacuum Rabi splitting ℏΩ_{R}>0...
January 5, 2018: Physical Review Letters
Ruilan Liu, Lili Zhao, Wei Dai, Chenglin Yang, Xi Liang, Gang Li
Our investigation on the proton conductivities of two water-stable isostructural 3D Co(II) MOFs, {[Co3(DMPhIDC)2(H2O)6]·2H2O}n (1) [DMPhH3IDC = 2-(3,4-dimethylphenyl)-imidazole-4,5-dicarboxylic acid] and {[Co3(m-BrPhIDC)2(H2O)6]·2H2O} (2) [m-BrPhH3IDC = 2-(m-bromophenyl)-imidazole-4,5-dicarboxylic acid], under water or aqua-ammonia vapor shows that the optimized proton conductivities of both 1 and 2 under aqua-ammonia vapor are 4.41 × 10-3 S·cm-1 and 5.07 × 10-4 S·cm-1 (at aqua-ammonia vapor from 1.5 M NH3·H2O solution and 100 °C), respectively, which are approximately 1 order of magnitude greater than those maximum values (8...
January 19, 2018: Inorganic Chemistry
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