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Toshiki Higashino, Akira Ueda, Junya Yoshida, Hatsumi Mori
A dihydroxy-substituted benzothienobenzothiophene, BTBT(OH)2, was synthesized, and its charge-transfer (CT) salt, β-[BTBT(OH)2]2ClO4, was successfully obtained. Thanks to the introduced hydroxy groups, a hydrogen-bonded chain structure connecting the BTBT molecules and counter anions was formed in the CT salt, which effectively increases the dimensionality of the electronic structure and consequently leads to a stable metallic state.
February 27, 2017: Chemical Communications: Chem Comm
Yang Li, Zhaohui Wang, Qi Wei, Min Luo, Gang Huang, Baran D Sumer, Jinming Gao
Self-assembly and associated dynamic and reversible non-covalent interactions are the basis of protein biochemistry (e.g., protein folding) and development of sophisticated nanomaterial systems that can respond to and amplify biological signals. In this study, we report a systematic investigation of non-covalent interactions that affect the pH responsive behaviors and resulting supramolecular self-assembly of a series of ultra-pH sensitive (UPS) block copolymers. Increase of hydrophobic and π-π stacking interactions led to the decrease of pKa values...
October 14, 2016: Polymer Chemistry
Izna Ali, Matthew A Welch, Yang Lu, Peter W Swaan, Kim L R Brouwer
INTRODUCTION: Multidrug resistance-associated protein 3 (MRP3), an efflux transporter on the hepatic basolateral membrane, may function as a compensatory mechanism to prevent the accumulation of anionic substrates (e.g., bile acids) in hepatocytes. Inhibition of MRP3 may disrupt bile acid homeostasis and is one hypothesized risk factor for the development of drug-induced liver injury (DILI). Therefore, identifying potential MRP3 inhibitors could help mitigate the occurrence of DILI. METHODS: Bayesian models were developed using MRP3 transporter inhibition data for 86 structurally diverse drugs...
February 23, 2017: European Journal of Pharmaceutical Sciences
Deepika Rani, Munish Ahuja
Carboxymethylation of Lepidium sativum polyuronide was carried out to improve its functionality. Carboxymethyl modification was accomplished by reacting it with monochloroacetic acid under alkaline conditions, which yielded a product with degree of carboxymethyl substitution of 1.75. The results of characterization studies revealed that carboxymethylation of Lepidium sativum polyuronide improves its flow property, changes compression behaviour from elastic to plastic, diminishes its viscosity and swelling, and increases its crystallinity...
February 23, 2017: International Journal of Biological Macromolecules
Saki Izumi, Yoshitane Nozaki, Takafumi Komori, Osamu Takenaka, Maeda Kazuya, Hiroyuki Kusuhara, Yuichi Sugiyama
Prediction of human pharmacokinetic profiles of drug candidates is an essential step towards first-in-human studies. However, it remains difficult to quantitatively predict hepatic clearance, particularly when hepatic uptake is mediated by transporter(s). Using 15 organic anion transporting polypeptide (OATP) substrate drugs, we tested 3 in vitro-in vivo extrapolation (IVIVE) approaches to predict overall hepatic intrinsic clearance in vivo (CLint,all,vivo). IVIVE approaches involved metabolic intrinsic clearance in human liver microsomes (CLint,met) with or without hepatocyte-to-buffer maximum unbound concentration ratio (Kp,uu,max) correction and uptake intrinsic clearance at 37°C (PSinf,37°C) in human hepatocyte suspensions...
February 23, 2017: Journal of Pharmaceutical Sciences
Shuji Mizumoto, Tomoki Kosho, Atsushi Hatamochi, Tomoko Honda, Tomomi Yamaguchi, Nobuhiko Okamoto, Noriko Miyake, Shuhei Yamada, Kazuyuki Sugahara
PURPOSE: Dermatan sulfate (DS) plays a number of roles in a wide range of biological activities such as cell signaling and tissue morphogenesis through interactions with various extracellular matrix proteins including collagen. Mutations in the carbohydrate sulfotransferase 14 gene (CHST14) encoding CHST14/dermatan 4-O-sulfotransferase-1 (D4ST1), which is responsible for the biosynthesis of DS, cause a recently delineated form of Ehlers-Danlos syndrome (EDS, musculocontractural type 1), an autosomal recessive connective tissue disorder characterized by congenital malformations (specific craniofacial features, and congenital multiple contractures) and progressive fragility-related complications (skin hyperextensibility, bruisability, and fragility with atrophic scars; recurrent dislocations; progressive talipes or spinal deformities; and large subcutaneous hematomas)...
February 23, 2017: Clinical Biochemistry
Cheng Zhang, Yuting Shao, Lusheng Zhu, Jinhua Wang, Jun Wang, Yingying Guo
The present study examined the potential toxicity of 1-butyl-3-methylimidazolium chloride ([Bmim]Cl) and 1-butyl-3- methylimidazolium tetrafluoroborate ([Bmim]BF4) in the liver cells of zebrafish (Danio rerio) with different doses (20-160mg/L) on 7 and 14days. The effects of [Bmim]Cl and [Bmim]BF4 on acute toxicity, reactive oxygen species (ROS), antioxidant enzymes, glutathione S-transferase (GST), malondialdehyde (MDA), and DNA damage degree in livers of zebrafish were determined. The 50% lethal concentration (LC50) values after a 96-h exposure to [Bmim]Cl and [Bmim]BF4 were 632...
February 21, 2017: Environmental Toxicology and Pharmacology
Sonia Del Prete, Daniela Vullo, Pietro di Fonzo, Vincenzo Carginale, Claudiu T Supuran, Clemente Capasso
We report the cloning, purification and characterization of BpsβCA, a β-class carbonic anhydrase (CA, EC from the pathogenic bacterium Burkholderia pseudomallei, the etiological agent of melioidosis, and compare its activity and inhibition with those of the γ-CA from the same organism, BpsγCA, recently investigated by our groups. BpsβCA showed a significant catalytic activity for the physiologic, CO2 hydration reaction, with the following kinetic parameters, kcat of 1.6×10(5)s(-1) and kcat/Km of 3...
February 16, 2017: Bioorganic & Medicinal Chemistry
Helmut Schweikl, Marialucia Gallorini, Markus Forstner, Christine Petzel, Carola Bolay, Karl-Anton Hiller, Amelia Cataldi, Stephanie Krifka, Wolfgang Buchalla
OBJECTIVE: Oxidative stress induced by compounds of dental composites like 2-hydroxyethyl methacrylate (HEMA) due to excess formation of reactive oxygen species (ROS) disturbs vital cell functions leading to apoptosis. The sources of ROS in cells exposed to resin monomers are unknown. The present study investigates functions of flavin-containing ROS and RNS (reactive nitrogen species) producing enzymes in cells exposed to HEMA. METHODS: The formation of oxidative stress in RAW264...
February 18, 2017: Dental Materials: Official Publication of the Academy of Dental Materials
Jeffrey Farner Budarz, Andrea Turolla, Aleksander F Piasecki, Jean-Yves Bottero, Manuela Antonelli, Mark R Wiesner
The influence of inorganic anions on the photoreactivity and aggregation of titanium dioxide nanoparticles (NPs) was assessed by dosing carbonate, chloride, nitrate, phosphate and sulfate as potassium salts at multiple concentrations. Nanoparticle stability was monitored in terms of aggregate morphology and electrophoretic mobility (EPM). Aggregates size and fractal dimension were measured over time by laser diffraction, and the isoelectric point (IEP) as a function of anion and concentration was obtained by measuring EPM vs...
February 27, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
Zhijie Liang, Wenxin Shi, Zhiwei Zhao, Tianyi Sun, Fuyi Cui
The spherical mesoporous silica (meso-silica) MCM-41 and those with different dosage of the retained templates were prepared and characterized. Particularly, effects of the retained template and its dosage on the adsorption of typical heavy metals (Cu(2+) and Cd(2+)) in the synthesized materials were investigated. The results indicated that the retained templates acted as "helpers" for the adsorption of Cu(2+) and Cd(2+) in the spherical meso-silica MCM-41, and the maximum adsorption capacities (Qmax) increased with the increase of the retained template dosage...
February 12, 2017: Journal of Colloid and Interface Science
Li Luo, Yan Li, Xiaoming Qiang, Zhongcheng Cao, Rui Xu, Xia Yang, Ganyuan Xiao, Qing Song, Zhenghuai Tan, Yong Deng
A series of 1-hydroxyl-3-aminoalkoxy-thioxanthone derivatives were designed, synthesized and evaluated as potential multifunctional agents against Alzheimer's disease (AD). The results indicated that most of these compounds exhibited good AChE and MAOs inhibitory activities, significant inhibition of self- and Cu(2+)-induced Aβ1-42 aggregation, and moderate to good antioxidant activities. Specifically, compound 9e displayed high inhibitory potency toward AChE (IC50=0.59±0.02μM), MAO-A and MAO-B (IC50=1.01±0...
February 14, 2017: Bioorganic & Medicinal Chemistry
Lena Marie Funke, Henrik Bradtmüller, Hellmut Eckert
The case of rotational echo double resonance (REDOR) experiments on the observe nuclei (11)B and (31)P interacting with multiple I=1 quadrupolar nuclei is analyzed in detail by SIMPSON simulations and experimental studies. The simulations define the region within the parameter space spanned by nutation frequency, quadrupolar coupling constant and spinning frequency where the parabolic analysis of the initial REDOR curve in terms of dipolar second moments has validity. The predictions are tested by experimental studies on the crystalline model compounds lithium diborate and lithium pyrophosphate, which are subsequently extended to measure dipolar second moments M2((11)B{(6)Li}) and M2((31)P{(6)Li}) in three borophosphate glasses...
February 20, 2017: Solid State Nuclear Magnetic Resonance
Ruo Fan Sheng, He Qing Wang, Li Yang, Kai Pu Jin, Yan Hong Xie, Cai Xia Fu, Meng Su Zeng
BACKGROUND: Few studies have investigated the value of Gd-EOB-DTPA-enhanced T1 mapping in exact fibrosis staging, especially its correlation with hepatic molecular transporters. AIMS: To investigate the diagnostic value of Gd-EOB-DTPA-enhanced T1 mapping in staging liver fibrosis and its relationship with hepatic molecular transporters. METHODS: Thirty rats were divided into the carbon tetrachloride-induced fibrosis groups and a control group...
February 22, 2017: Digestive and Liver Disease
Shakil A Romshoo, Reyaz Ahmad Dar, Khalid Omar Murtaza, Irfan Rashid, Farooq A Dar
Physico-chemical groundwater (GW) parameters were evaluated to understand the hydrogeochemical processes in the Siwalik plains of Jammu and Kashmir, India. During the 2012-2013 post-monsoon (POM) and pre-monsoon (PRM) seasons, GW samples (n = 207) from deep bore wells and shallow open wells were chemically analysed. Cations (Ca(2+), Mg(2+), Na(+), K(+) and Fe(2+)) and anions (HCO3(-), Cl(-), SO4(2-) and F(-)) showed a wide spatio-temporal variation. Results suggest that weathering and dissolution of carbonates and silicate rocks is the main source of water mineralization...
March 2017: Environmental Monitoring and Assessment
Archana Singh, Darshak R Trivedi
A colorimetric receptor R 2-[(2-Hydroxy-naphthalen-1-ylmethylene)-hydrazonomethyl]-quinolin-8-ol has been designed and synthesized with good yield and characterized by the standard spectroscopic techniques such as FT-IR, UV-Visible, (1)H NMR, (13)C NMR and ESI-MS. The receptor R showed naked-eye detection and spectral change in the presence of F(-), AcO(-) and H2PO4(-) over other anions. Interestingly, receptor R displaying high selective recognition towards F(-), AcO(-) ion with a drastic color change from pale yellow to red in dry DMSO solvent and orange in mixed solvent DMSO/H2O (9:1, v/v)...
February 14, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Gianne P Campos-Mota, Juliana M Navia-Pelaez, Jessica Cristina Araujo-Souza, Nikos Stergiopulos, Luciano S A Capettini
BACKGROUND AND AIMS: Lysophosphatidylcholine (LPC) - a main component of oxidized LDL - is involved in endothelial dysfunction that precedes atherosclerosis, with an increased superoxide anions and a reduced NO production via endothelial NO synthase (eNOS) uncoupling. However, there is no evidence about the mechanisms involved in neuronal NOS (nNOS) uncoupling. Extracellular signal-regulated kinase (ERK) is related to the control of NO production and inflammatory gene transcription activation in atherosclerosis...
November 18, 2016: Atherosclerosis
Alexander Negoda, Yassine El Hiani, Elizabeth A Cowley, Paul Linsdell
The anion selectivity and conductance of the cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel are determined predominantly by interactions between permeant anions and the narrow region of the channel pore. This narrow region has therefore been described as functioning as the "selectivity filter" of the channel. Multiple pore-lining transmembrane segments (TMs) have previously been shown to contribute to the selectivity filter region. However, little is known about the three-dimensional organization of this region, or how multiple TMs combine to determine its functional properties...
February 21, 2017: Biochimica et Biophysica Acta
Loredana Protesescu, Sergii Yakunin, Sudhir Kumar, Janine Bär, Federica Bertolotti, Norberto Masciocchi, Antonietta Guagliardi, Matthias Grotevent, Ivan Shorubalko, Maryna I Bodnarchuk, Chih-Jen Shih, Maksym V Kovalenko
Colloidal nanocrystals (NCs) of APbX3-type lead halide perovskites [A=Cs+, CH3NH3+ (methylammonium or MA+) or CH(NH2)2+ (formamidinium or FA+); X=Cl-, Br-, I-] have recently emerged as highly versatile photonic sources for applications ranging from simple photoluminescence down-conversion (e.g., for display backlighting) to light emitting diodes. From the perspective of spectral coverage, a formidable challenge facing the use of these materials is how to obtain stable emissions in the red and infrared spectral regions covered by the iodide-based compositions...
February 23, 2017: ACS Nano
Yanyan Cui, Jingchao Chai, Huiping Du, Yulong Duan, Guangwen Xie, Zhihong Liu, Guanglei Cui
ABSTRACT:Polycyanoacrylate is a very promising matrix for polymer electrolyte,which possesses advantages of strong binding and high electrochemical stability owing to the functional nitrile groups. Herein, a facile and reliable in-situ polymerization strategy of poly(ethyl cyanoacrylate) (PECA) based gel polymer electrolytes (GPE) via a high efficient anionic polymerization was introduced consisting of PECA and 4 M LiClO4 in carbonate solvents. The in-situ polymerized PECA gel polymer electrolyte achieved an excellent ionic conductivity (2...
February 23, 2017: ACS Applied Materials & Interfaces
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