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Jing Xue, Qinglan Zhao, Vishal Sharma, Linh P Nguyen, Yvonne N Lee, Kim L Pham, Mouad Edderkaoui, Stephen J Pandol, Walter Park, Aida Habtezion
BACKGROUND & AIMS: Cigarette smoke has been identified as an independent risk factor for chronic pancreatitis (CP). Little is known about the mechanisms by which smoking promotes development of CP. We assessed the effects of aryl hydrocarbon receptor (AhR) ligands found in cigarette smoke on immune cell activation in humans and pancreatic fibrosis in animal models of CP. METHODS: We obtained serum samples from patients with CP treated at Stanford University hospital and healthy individuals (controls) and isolated CD4+ T cells; levels of interleukin-22 (IL22) were measured by ELISA and smoking histories were collected...
October 18, 2016: Gastroenterology
Mei Han, Chengyan Wang, Yinchun Ji, Zilan Song, Li Xing, Yi Su, Xisheng Wang, Ao Zhang, Jing Ai, Meiyu Geng
A metabolism-based fine-tuning structure-optimization was conducted to address the oxidative metabolism and hERG blockade of our early ALK inhibitor. Compound 8 was identified showing high potency against both ALK wild type and gatekeeper mutant. In addition to the optimal PK properties and significant cell antiproliferative effects, 8 showed complete tumor growth inhibition at doses of 50 or 10mg/kg once daily in the Karpas299 xenograft model. All these results encouraged the further development of 8 as a potent and orally bioavailable ALK inhibitor...
October 14, 2016: Bioorganic & Medicinal Chemistry Letters
Bilal Demir, Tulay Yilmaz, Emine Guler, Z Pinar Gumus, Huseyin Akbulut, Ebru Aldemir, Hakan Coskunol, Demet Goen Colak, Ioan Cianga, Shuhei Yamada, Suna Timur, Takeshi Endo, Yusuf Yagci
Affinity-type sensors have emerged as outstanding platforms in the detection of diagnostic protein markers, nucleic acids and drugs. Thus, these novel platforms containing antibodies could be integrated into the monitoring systems for abused drugs. Herein, we established a novel detection platform for the analysis of a common illicit drug; methamphetamine (METH). Initially, a fluorescent-labeled polypeptide (EDOT-BTDA-Pala), derived from L-alanine N-carboxyanhydride (L-Ala-NCA) via ring-opening polymerization using 4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)benzo[c][1,2,5]thiadiazole-5,6-diamine (EDOT-NH2-BTDA) as initiator, was employed as a glassy carbon electrode (GCE) covering host, in order to immobilize the METH-selective antibody...
December 1, 2016: Talanta
Haiyang Liu, Bibo Zhang, Chunyan Tan, Feng Liu, Jiakun Cao, Ying Tan, Yuyang Jiang
A simple Schiff base (BMSA) prepared from salicylaldehyde and 2-(1H-benzo[d]imidazol-2-yl)aniline was evaluated as an efficient fluorescent chemosensor for the selective recognition of Al(3+)and Cu(2+) over other common metal ions. This sensor could detect Al3(+) in CH3OH/PBS with distinct emission red-shift (the detection limit 0.31μM)and Cu(2+)in CH3OH/Tris-HCL (the detection limit 0.54μM) with obvious fluorescence quenching. The obtained BMSA-Al(3+) and BMSA-Cu(2+) complexes could act as cascade sensors for detecting F(-) and S(2-), respectively...
December 1, 2016: Talanta
Berrin Serdar, Stephen Brindley, Greg Dooley, John Volckens, Elizabeth Juarez-Colunga, Ryan Gan
BACKGROUND: Roofers are at increased risk for various malignancies and their occupational exposures to polycyclic aromatic hydrocarbons (PAHs) have been considered as important risk factors. The overall goal of this project was to investigate the usefulness of phosphorylated histone H2AX (γH2AX) as a short-term biomarker of DNA damage among roofers. METHODS: Blood, urine, and dermal wipe samples were collected from 20 roofers who work with hot asphalt before and after 6 h of work on Monday and Thursday of the same week (4 sampling periods)...
October 20, 2016: Environmental Health: a Global Access Science Source
Heiko Ihmels, Katy Schäfer, Giampietro Viola, Elena Porcu
The interactions of 8-hydroxybenzo[b]quinolizinium and 9-hydroxy-benzo[b]quinolizinium with DNA are investigated in detail. Specifically, spectro¬photometric and spectrofluorimetric titrations, thermal DNA-de¬na¬turation experiments as well as CD- and LD-spectroscopic ana¬lysis show that a pH shift by just one or two orders of magnitude has a significant impact on the interactions of the acidic ligands with the nucleic acid. Both ligands bind with high affinity to DNA at pH = 6 (Kb ≈ 105 M-1). At pH = 7 or 8, however, the binding interactions are much weaker because of the formation of the corresponding charge neutral conjugate bases whose affinity to DNA is reduced due to the resulting lack of a positive charge...
October 19, 2016: Chemistry: a European Journal
Gao-Feng Bian, Yun Guo, Xiao-Jing Lv, Cheng Zhang
The preparation and the photophysical behaviour of two benzoxazinone derivatives isomers 2-(1-hydroxynaphthalen-2-yl)-4H-benzo[e][1, 3]oxazin-4-one(1) and 2-(3-hydroxynaphthalen-2-yl)-4H-benzo[e][1, 3]oxazin-4-one(2) designed for displaying were reported. The effect of substituent position and solvent effect on the excited state intramolecular proton transfer (ESIPT) dynamics and the spectroscopic properties were investigated using a combined theoretical (i.e., time-dependent density function theory (DFT)) and experimental (i...
October 18, 2016: Journal of Fluorescence
Katy Schäfer, Heiko Ihmels, Cornelia Bohne, Karolina Papera Valente, Anton Granzhan
It is shown by photometric and fluorimetric analysis, along with supporting theoretical calculations, that hydroxy-substituted benzo[b]quinolizinium derivatives display the characteristic features of organic photoacids. Specifically, the experimental and theoretical results confirm the strong acidity of these compounds in the excited state (pKa* < 0). The combination of the prototropic properties of the 8- and 9-hydroxybenzo[b]quinolizinium with the particular solvent-solute interactions of the excited acid and its conjugate base leads to a pronounced fluorosolvatochromism...
October 18, 2016: Journal of Organic Chemistry
Carlos Neira, Jennifer Cossaboon, Guillermo Mendoza, Eunha Hoh, Lisa A Levin
Polycyclic aromatic hydrocarbons (PAHs) have garnered much attention due to their bioaccumulation, carcinogenic properties, and persistence in the environment. Investigation of the spatial distribution, composition, and sources of PAHs in sediments of three recreational marinas in San Diego Bay, California revealed significant differences among marinas, with concentrations in one site exceeding 16,000ngg(-1). 'Hotspots' of PAH concentration suggest an association with stormwater outfalls draining into the basins...
October 14, 2016: Marine Pollution Bulletin
Lei Zhang, Zhisong Huang, Dongdong Dai, Yansheng Xiao, Kecheng Lei, Shaoying Tan, Jiagao Cheng, Yufang Xu, Jianwen Liu, Xuhong Qian
By structure transformation of benzo[k,l]thioxanthene-naphthalimide derivatives (ND-S), a novel series of nonplanar thio-heterocyclic bisnaphthalimide derivatives are designed and synthesized. They display high molar absorptivity and large Stokes shifts. They are also heavy-atom-free photosensitizers with high singlet oxygen quantum yields of 0.75 and 0.82. Thus, these new structures based on the naphthalimide skeleton have great potential for singlet oxygen applications.
October 18, 2016: Organic Letters
Christopher Batchelor-McAuley, Christopher A Little, Stanislav V Sokolov, Enno Kätelhön, Giorgia Zampardi, Richard G Compton
The lipid soluble fluorophore Nile Red (9-diethylamino-5-benzo[α]phenoxazinone) is used to fluorescently and electrochemically label an organic-in-water emulsion, where the organic phase is an ionic liquid [P6,6,6,14][FAP]/toluene mixture. The optical detection of the individual droplets is enabled facilitating the in-situ tracking and sizing of the suspended particles (average diameter = 530 nm, interquartile range = 180 nm). Through the use of a combined thin-layer optical/electrochemical cell, the irreversible accumulation of the droplets at an optically opaque carbon fibre electrode (diameter ~ 7...
October 17, 2016: Analytical Chemistry
Shuguang Chen, Hailang Jia, Mengxi Zheng, Kang Shen, Hegen Zheng
Herein we prepare four novel D-π-A dyes based on triphenylamine (ZHG1, ZHG2, ZHG3 and ZHG4) by modifying the π-bridges. Compared with ZHG1, the power conversion efficiency (PCE) of ZHG2 is improved to 6.1% after the introduction of ethynyl. But further extension of the conjugation of the π-bridges by introducing the chromophore 4,8-bis(n-octyloxy)-benzo[1,2-b:4,5-b']dithiophene (BDT) into ZHG3 conversely decreases the PCE to 4.6%. Improving the coplanarity by replacing cyclobenzene with thiophene in ZHG4 after introducing BDT further decreases the PCE of ZHG4 to 4...
October 17, 2016: Physical Chemistry Chemical Physics: PCCP
Yi-Hsuan Chen, Hua-Yi Hsu, Ming-Tyng Yeh, Chen-Cheng Chen, Chang-Yu Huang, Ying-Hsuan Chung, Zee-Fen Chang, Wei-Chen Kuo, Nei-Li Chan, Jui-Hsia Weng, Bon-Chu Chung, Yu-Ju Chen, Cheng-Bang Jian, Ching-Chieh Shen, Hwan-Ching Tai, Sheh-Yi Sheu, Jim-Min Fang
Targeting thymidylate kinase (TMPK) that catalyzes the phospho-transfer reaction for formation of dTDP from dTMP is a new strategy for anti-cancer treatment. This study is to understand the inhibitory mechanism of a previously identified human TMPK (hTMPK) inhibitor YMU1 (1a) by molecular docking, isothermal titration calorimetry, and photoaffinity labeling. The molecular dynamics simulation suggests that 1a prefers binding at the catalytic site of hTMPK, whereas the hTMPK inhibitors that bear pyridino[d]isothiazolone or benzo[d]isothiazolone core structure in lieu of the dimethylpyridine-fused isothiazolone moiety in 1a can have access to both the ATP-binding and catalytic sites...
October 17, 2016: Journal of Medicinal Chemistry
Ísmail Çelik, Cem Cüneyt Ersanlı, Rahmi Köseoğlu, Hüseyin Akşit, Ramazan Erenler, Ibrahim Demirtaş, Mehmet Akkurt
The asymmetric unit of the title compound, C20H34O2, contains two crystallographically independent mol-ecules (1 and 2) with similar conformations. In both mol-ecules, the cyclo-hexane rings adopt a chair conformation, while the oxane rings are also puckered. In the crystal, O-H⋯O hydrogen bonds connect adjacent mol-ecules, forming C(6) helical chains located around a 21 screw axis and running along the crystallographic a axis. The packing of these chains is governed only by van der Waals inter-actions. Semi-empirical PM3 quantum chemical calculations are in a satisfactory agreement with the structural results of the X-ray structure analysis...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Jinpu Jia, Chunjuan Bi, Xue Guo, Xueping Wang, Xiaoxiao Zhou, Zhenlou Chen
Road dusts and agricultural soil samples were collected from eight sites close to steel mills, chemical plants, and municipal solid waste incinerator in suburban Shanghai. Sixteen polycyclic aromatic hydrocarbons (PAHs) in the United States Environmental Protection Agency (US EPA) priority controlled list were analyzed quantitatively using GC-MS. The total PAH concentrations ranged from 0.79 to 6.2 μg g(-1) in road dust samples with a mean value of 2.38 μg g(-1) and 0.26 to 0.54 μg g(-1) in agricultural soils with an average of 0...
October 14, 2016: Environmental Science and Pollution Research International
Flora Clément, Xinyi Xu, Caterina F Donini, Alice Clément, Soleilmane Omarjee, Emmanuel Delay, Isabelle Treilleux, Béatrice Fervers, Muriel Le Romancer, Pascale A Cohen, Véronique Maguer-Satta
Bone morphogenetic protein 2 (BMP2) and BMP4 are key regulators of the fate and differentiation of human mammary epithelial stem cells (SCs), as well as of their niches, and are involved in breast cancer development. We established that MCF10A immature mammary epithelial cells reliably reproduce the BMP response that we previously identified in human primary epithelial SCs. In this model, we observed that BMP2 promotes luminal progenitor commitment and expansion, whereas BMP4 prevents lineage differentiation...
October 14, 2016: Cell Death and Differentiation
Hayden T Black, Ian Pelse, Rylan M W Wolfe, John R Reynolds
A new halochromic compound is reported with pronounced UV/Vis spectral responses that depend on the extent of protonation and on the counter-ion structure. The absorption can be controlled over the entire visible spectrum and into the near-IR via a protonation-induced assembly mechanism. Thin-films were used for colorimetric detection of acid vapors.
October 14, 2016: Chemical Communications: Chem Comm
Weijun Tian, Jing Zhao, Yuhang Zhou, Kaili Qiao, Xin Jin, Qing Liu
Changes in root exudates, including low molecular weight organic acids (LMWOAs), amino acids and sugars, in rhizosphere soils during the gel-beads/reeds combination remediation for high molecular weight polycyclic aromatic hydrocarbons (HMW-PAHs) and the degree of the effects on HMW-PAH biodegradation were evaluated in this study. The results showed that the gel-beads/reeds combination remediation notably increased the removal rates of pyrene, benzo(a)pyrene and indeno(1,2,3-cd)pyrene (65.0-68.9%, 60.0-68.5% and 85...
October 10, 2016: Ecotoxicology and Environmental Safety
Chuan-Feng Chen, Wei-Bin Lin, Meng Li, Lei Fang, Yun Shen
An efficient route to the synthesis of benzo[5]helicene derivatives functionalized on interior side of the helix was developed, which resulted in a series of 1,16-diaryl substituted benzo[5]helicene derivatives starting from the easily available 7-methoxy-tetralone. X-ray crystal structures showed that the benzo[5]helicene derivatives had highly helical twisted structures, and could all create hierarchical packing architectures with alternating P-layer and M-layer in the solid states. Moreover, seven pairs of enantiomers based on the 1,16-diaryl substituted benzo[5]helicene derivatives were also obtained by the efficient resolution through high performance liquid chromatography (HPLC) with semi-preparative chiral columns...
October 13, 2016: Chemistry, An Asian Journal
Xin-Xing Zhan, Xin Zhang, Si-Min Dai, Shu-Hui Li, Xu-Zhai Lu, Lin-Long Deng, Su-Yuan Xie, Rong-Bin Huang, Lan-Sun Zheng
Despite being widely used as electron acceptor in polymer solar cells, commercially available PC71BM (phenyl-C71-butyric acid methyl ester) usually has a "random" composition of mixed regioisomers or stereoisomers. Here the PC71BM has been isolated into three typical isomers, α-, β1- and β2-PC71BM, for establishing the isomer-dependent photovoltaic performance on change of ternary composition of α-, β1- and β2-PC71BM. Mixing the isomers in a ratio of α:β1:β2=8:1:1 resulted in the best power conversion efficiency (PCE) of 7...
October 13, 2016: Chemistry: a European Journal
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