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https://www.readbyqxmd.com/read/29148294/synthesis-physiochemical-property-and-antimicrobial-activity-of-novel-quaternary-ammonium-salts
#1
Xianrui Xie, Wei Cong, Feng Zhao, Hongjuan Li, Wenyu Xin, Guige Hou, Chunhua Wang
Twenty-four novel 5-phenyl-1,3,4-oxadiazole-2-thiol (POT) analogues, benzo[d]oxazole-2-thiol, benzo[d]thiazole-2-thiol and 5-methyl-1,3,4-thiadiazole-2-thiol-substituted N,N-bis(2-hydroxyethyl) quaternary ammonium salts (QAS) (5a-d, 6a-d, 7a-d, 10a-d, 13a-d, 16a-d) were prepared and characterised by FTIR, NMR and elemental analysis. Part of target compounds (5d, 6d, 7d, 10d, 13d, 16d) displayed potent antimicrobial effect against ten common pathogens (S. aureus, α-H-tococcus, β-H-tococcus, E. coli, P. aeruginosa, Proteus vulgaris, Canidia Albicans, Cytospora mandshurica, Physalospora piricola, Aspergillus niger) and had relatively low cytotoxity against two human cell lines (HaCat and LO2)...
December 2018: Journal of Enzyme Inhibition and Medicinal Chemistry
https://www.readbyqxmd.com/read/29147501/one-pot-synthesis-of-hetero-6-rotaxane-bearing-three-different-kinds-of-macrocycle-through-a-self-sorting-process
#2
Si-Jia Rao, Qi Zhang, Ju Mei, Xu-Hao Ye, Chuan Gao, Qiao-Chun Wang, Da-Hui Qu, He Tian
In this article, a six-component self-sorting process that involves three types of crown ether macrocycle and three types of cation guest molecule was carefully and thoroughly investigated. The six components include three kinds of crown ether, namely bis(p-phenylene-34-crown-10) (BPP34C10), dibenzo-24-crown-8 (DB24C8) and benzo-21-crown-7 (B21C7), and their corresponding cation guest molecules, namely a 4,4'-bipyridine dication (BPY(2+)) and dibenzylammonium (DBA) and benzylalkylammonium (BAA) ions, respectively...
October 1, 2017: Chemical Science
https://www.readbyqxmd.com/read/29145655/paternal-exposure-to-environmental-chemical-stress-affectsmale-offspring-s-hepatic-mitochondria
#3
Roger Godschalk, Alex Remels, Camiel Hoogendoorn, Jan van Benthem, Mirjam Luijten, Nur Duale, Gunnar Brunborg, Ann-Karin Olsen, Freek G Bouwman, Armelle Munnia, Marco Peluso, Edwin Mariman, Frederik Jan van Schooten
Pre-conceptional paternal exposures may affect offspring's health, which cannot be explained by mutations in germ cells, but by persistent changes in the regulation of gene expression. Therefore, we investigated whether pre-conceptional paternal exposure to benzo[a]pyrene (B[a]P) could alter the offspring's phenotype. Male C57BL/6 mice were exposed to B[a]P by gavage for 6 weeks, 3x per week, and were crossed with unexposed BALB-c females 6 weeks after the final exposure. The offspring was kept under normal feeding conditions and was sacrificed at 3 weeks of age...
November 14, 2017: Toxicological Sciences: An Official Journal of the Society of Toxicology
https://www.readbyqxmd.com/read/29144987/benzo-a-pyren-7-8-dihydrodiol-9-10-epoxide-induces-human-trophoblast-swan-71-cell-dysfunctions-due-to-cell-apoptosis-through-disorder-of-mitochondrial-fission-fusion
#4
Weiping Wang, Rong Wang, Qiao Zhang, Gil Mor, Huidong Zhang
Benzo(a)pyren-7,8-dihydrodiol-9,10-epoxide (BPDE) is an endocrine disrupter and ultimate carcinogenic product of benzo(a)pyrene (BaP). Numerous studies have shown that BPDE causes trophoblast-related diseases, such as preeclampsia, growth restriction or miscarriages. However, the underlying mechanism, especially the mitochondria-related BPDE-induced trophoblast dysfunction remains unknown. In this study, we examined mitochondrial functions in BPDE-induced human trophoblast cell line Swan 71. BPDE decreased cell ability, attenuated cell invasion and HCG secretion, induced cell apoptosis, decreased mitochondrial membrane potential, increased reactive oxygen species (ROS) and MDA, and decreased SOD activity in a dose-dependent manner...
November 13, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/29144011/a-gold-catalyzed-domino-cyclization-enabling-rapid-construction-of-diverse-polyheterocyclic-frameworks
#5
Erik Van der Eycken, Yi He, Zhenghua Li, Koen Robeyns, Luc Van Meervelt
We report herein an efficient gold(I)-catalyzed post-Ugi domino dearomatization/ipso-cyclization/Michael sequence that enables access to libraries of diverse (hetero)arene-annulated tricyclic heterocycles. This process affords novel complex polycyclic scaffolds in moderate to good yields from readily available acyclic precursors with excellent chemo-, regio-, and diastereo-selectivity. The power of this strategy has been demonstrated by the rapid synthesis of 40 highly functionalized polyheterocycles bearing indole, pyrrole, (benzo)furan, (benzo)thiophene, pyrazole and electron-rich arenes in two-operational steps...
November 16, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/29143987/effect-of-body-temperature-on-the-pharmacokinetics-of-a-triarylmethyl-type-paramagnetic-contrast-agent-used-in-epr-oximetry
#6
Ken-Ichiro Matsumoto, Fuminori Hyodo, James B Mitchell, Murali C Krishna
PURPOSE: Pharmacokinetics of the tri[8-carboxy-2,2,6,6-tetrakis(2-hydroxymethyl)benzo[1,2-d:4,5-d']bis(1,3)dithio-4-yl]methyl radical (Oxo63) after a single bolus and/or continuous intravenous infusion was investigated in tumor-bearing C3H mice with or without body temperature control while under anesthesia. METHOD: The in vivo time course of Oxo63 in blood was measured using X-band electron paramagnetic resonance spectroscopy. Distribution of Oxo63 in normal muscle and tumor tissues was obtained using a surface coil resonator and a 700-MHz electron paramagnetic resonance spectrometer...
November 16, 2017: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
https://www.readbyqxmd.com/read/29143032/reaction-monitoring-reveals-poisoning-mechanism-of-pd2-dba-3-and-guides-catalyst-selection
#7
Chiara Colletto, Jordi Burés, Igor Larrosa
We have discovered that the dba ligand in the commonly used Pd2(dba)3·CHCl3 cross-coupling pre-catalyst is susceptible to bis-arylation when used in the presence of aryl iodides. The in situ formed dbaAr2 ligands result in Pd-species with altered catalytic activity. In the case of study, the room temperature C3 arylation of benzo[b]thiophenes with aryl iodides, we have observed a marked catalyst deactivation when dba is arylated with electron-deficient aryl iodides, accounting for the poor yields obtained in the C3 arylation reactions with these aryl iodides...
November 16, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/29139270/-chemical-constituents-from-root-of-angelica-decursiva
#8
Zhi-Chao Liao, Xin Jiang, Wen-Jing Tian, Ting Lin, Hai-Feng Chen
The compounds were isolated and purified by HP20 macroporous adsorption resin, ODS, silica gel, and Sephadex LH-20 column chromatography, as well as semi-preparative HPLC chromatography from the 80% ethanol extract of the root of Angelica decursiva, and their structures were identified based on their physiochemical properties and spectroscopic data. Twelve compounds were structures were identified as (9R,10R)-9-acetoxy-8,8-dimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one-10-yl ester (1), bakuchicin (2), (3', S,4'S)-disenecioyloxy-3',4'-dihydroseselin (3), (3'R,4'R)-3'-angeloyloxy-4'-senecioyloxy-3',4'-dihydroseselincalipteryxin (4), (+)-8,9-dihydro-8-(2-hydroxypropan-2-yl)-2-oxo-2H-furo[2,3h]chromen-9-yl-3-methylbut-2-enoate (5), libanoridin (6), selinidin (7), suberosin (8), crocatone (9), peujaponisinol B (10), peujaponisinol A (11), and ostenol (12), respectively...
August 2017: Zhongguo Zhong Yao za Zhi, Zhongguo Zhongyao Zazhi, China Journal of Chinese Materia Medica
https://www.readbyqxmd.com/read/29139202/lego-inspired-drug-design-unveiling-of-the-novel-class-of-benzo-d-thiazole-containing-a-3-4-dihydroxyphenyl-moiety-as-plasma-membrane-h-atpase-inhibitors
#9
Truong Thanh Tung, Dao Trong Tuan, Marta Grifell Junyent, Michael Palmgren, Thomas Günther-Pomorski, Anja Thoe Fuglsang, Søren Brøgger Christensen, John Nielsen
The fungal plasma membrane H+-ATPase (Pma1p) is a potential target for the discovery of new antifungal agents. Surprisingly, no structure-activity relationship studies for small molecules targeting Pma1p have been reported. Herein, we disclose a LEGO-inspired fragment assembly strategy for design, synthesis and discovery of benzo[d]thiazoles containing a 3,4-dihydroxyphenyl moiety as potential Pma1p inhibitors. A series of 2-(benzo[d]thiazol-2-ylthio)-1-(3,4-dihydroxyphenyl)ethanones was found to inhibit Pma1p with the most potent IC50 of 8 µM in an in vitro plasma membrane H+-ATPase assay...
November 15, 2017: ChemMedChem
https://www.readbyqxmd.com/read/29138965/molecular-dynamics-and-integrated-pharmacophore-based-identification-of-dual-formula-see-text-inhibitors
#10
Maninder Kaur, Pankaj Kumar Singh, Manjinder Singh, Renu Bahadur, Om Silakari
Despite increase in the understanding of the pathogenesis of rheumatoid arthritis (RA), it remains a tough challenge. The advent of kinases involved in key intracellular pathways in pathogenesis of RA may provide a new phase of drug discovery for RA. The present study is aimed to identify dual JAK3/[Formula: see text] inhibitors by developing an optimum pharmacophore model integrating the information revealed by ligand-based pharmacophore models and structure-based pharmacophore models (SBPMs). For JAK3 inhibitors, the addition of an aromatic ring feature and for [Formula: see text] the addition of a hydrophobic feature proposed by SBPMs lead to five-point pharmacophore (i...
November 14, 2017: Molecular Diversity
https://www.readbyqxmd.com/read/29136593/polycyclic-aromatic-hydrocarbons-and-organochlorine-pesticides-in-surface-water-from-the-yongding-river-basin-china-seasonal-distribution-source-apportionment-and-potential-risk-assessment
#11
Yizhen Wang, Shilu Zhang, Wenyan Cui, Xianzhi Meng, Xianqiang Tang
The presence of 17 polycyclic aromatic hydrocarbons (PAHs) and 15 persistent organochlorine pesticides (OCPs) in surface water of the Yongding River Basin was analyzed through GC/MS/MS during the spring and summer at 46 sampling sites. The goal was to investigate their seasonal distribution, possible sources, and potential risk. Our results showed that the total PAH concentration in surface water of Yongding River Basin ranged from 41.60 to 1482.60ng/L with a mean value of 137.85ng/L in the spring, and from 53...
November 11, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/29136584/unprecedented-chemosensing-behavior-of-novel-tetra-substituted-benzimidazole-zinc-ii-phthalocynine-for-selective-detection-of-bi-3-ion-synthesis-characterization-and-ros-generation
#12
Azeem Ullah, Faheem Shah, Imran Khan, Muhammad Anwar, Kiramat Shah, Munira Taj Muhammad, Farid Ahmad
In this work, synthesis of novel symmetrical 4-(2-bromo-4-(5-bromo-1H-benzo[d] imidazol-2-yl) phenoxy) tetra substituted zinc phthalocyanine has been reported. The novel benzimidazole zinc phthlocynine compound (3) has been characterized by MALDI-TOF MS, FT-IR, UV-vis, and (1)H NMR spectroscopy. This new compound 3 displayed excellent selectivity towards Bi(3+) ion in the presence of other competitive ions including Ca(2+), Cd(2+), Co(2+) Cu(2+), Fe(3+), Hg(2+), Sn(2+), Mg(2+), Na(+), Ni(2+) and Pb(2+) respectively...
November 10, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29136463/benzo-b-thiophene-fusion-enhances-local-borepin-aromaticity-in-polycyclic-heteroaromatic-compounds
#13
Reid E Messersmith, Sangeeta Yadav, Maxime A Siegler, Henrik Ottosson, John D Tovar
This report documents the synthesis, characterization and computational evaluation of two isomeric borepin-containing polycyclic aromatics. The syntheses of these two isomers involved symmetrical disubstituted alkynes that were reduced to Z-olefins followed by borepin formation either through an isolable stannocycle intermediate or directly from the alkene via the trapping of a transient dilithio intermediate. Comparisons of their magnetic, crystallographic and computational characterization to literature compounds gave valuable insights about the aromaticity of these symmetrically fused [b,f]borepins...
November 14, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/29135011/hierarchical-self-assembly-of-enantiopure-and-racemic-helicenes-at-the-liquid-solid-interface-from-2d-to-3d
#14
Hai Cao, Andrea Minoia, Inge De Cat, Johannes Seibel, Deepali Waghray, Zhi Li, David Cornil, Kunal S Mali, Roberto Lazzaroni, Wim Dehaen, Steven De Feyter
The performance of organic nanostructures is closely related to the organization of the functional molecules. Frequently, molecular chirality plays a central role in the way molecules assemble at the supramolecular level. Herein we report the hierarchical self-assembly of benzo-fused tetrathia[7]helicenes on solid surfaces, from a single surface-bound molecule to well-defined microstructures, using a combination of various characterization techniques assisted by molecular modeling simulations. Similarities as well as discrepancies are revealed between homochiral and heterochiral aggregations by monitoring the hierarchical nucleation of helicenes on surfaces, where the impact of enantiopurity, concentration and adsorbate-substrate interaction on molecular organization are disclosed...
November 14, 2017: Nanoscale
https://www.readbyqxmd.com/read/29131542/the-three-dimensional-structure-of-twisted-benzo-ghi-perylene-triimide-dimer-as-a-non-fullerene-acceptor-for-inverted-perovskite-solar-cells
#15
Priyadharsini Karuppuswamy, Hung-Cheng Chen, Pen-Cheng Wang, Chao-Ping Hsu, Ken-Tsung Wong, Chih Wei Chu
In this work, we introduced benzo[ghi]perylenetriimide (BPTI) derivatives including monomer and twisted dimer (t-BPTI) as an alternative electron transport layer (ETL) material to replace the commonly used PC61BM in inverted planar heterojunction perovskite solar cells. Moreover, the double ETL layer was applied in our perovskite solar cells with structure of glass/ITO/PEDOT:PSS/perovskite/BPTI/C60 or PDI-C4/BCP/Al. Use of a double ETL layer structure can effectively eliminate the leakage current. The devices with the t-BPTI/C60 double ETL layer yield an average power conversion efficiency of 10...
November 12, 2017: ChemSusChem
https://www.readbyqxmd.com/read/29127835/spatial-variations-source-apportionment-and-potential-ecological-risks-of-polycyclic-aromatic-hydrocarbons-and-synthetic-musks-in-river-sediments-in-shanghai-china
#16
Xue-Tong Wang, Bao-Ping Hu, Hang-Xin Cheng, Hao-Hao Jia, Ying Zhou
The aims of this study were to investigate the levels, possible sources and potential ecological risks of 26 polycyclic aromatic hydrocarbons (PAHs) including highly carcinogenic dibenzopyrene (DBP) isomers and 4 synthetic musks (SMs) in river sediments from Shanghai. 74 sediment samples were collected from the Huangpu River and its main tributaries. The total concentrations ranged from 52.0 to 11400 ng g(-1) for Σ26PAHs, 25.1-9910 ng g(-1) for 16 USEPA priority PAHs (Σ16PAHs), 0.769-384 ng g(-1) for Σ4DBPs, and 0...
October 28, 2017: Chemosphere
https://www.readbyqxmd.com/read/29126721/synthesis-monoamine-oxidase-inhibition-activity-and-molecular-docking-studies-of-novel-4-hydroxy-n-benzylidene-or-1-phenylethylidene-2-h-methyl-benzyl-1-2-benzothiazine-3-carbohydrazide-1-1-dioxides
#17
Furqan Ahmad Saddique, Sumera Zaib, Saquib Jalil, Sana Aslam, Matloob Ahmad, Sadia Sultan, Humera Naz, Mazhar Iqbal, Jamshed Iqbal
Three series of 4-hydroxy-N(')-[benzylidene/1-phenylethylidene]-2-H/methyl/benzyl-1,2-benzothiazine-3-carbohydrazide 1,1-dioxides (9-11)a-l were synthesized and unraveled to be highly potent dual inhibitors of monoamine oxidases (MAO-A and MAO-B). All the examined compounds demonstrated IC50 values in lower micro-molar range for both MAO-A as well as MAO-B. The most active MAO-A inhibitor was 4-hydroxy-N'-(1-phenylethylidene)-2H-benzo[e][1,2]thiazine-3-carbohydrazide 1,1-dioxide (9i) with an IC50 value of 0...
October 19, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29126482/identification-of-new-tetrahydroxylated-metabolites-of-polycyclic-aromatic-hydrocarbons-in-hair-as-biomarkers-of-exposure-and-signature-of-dna-adduct-levels
#18
Nathalie Grova, Jean-Philippe Antignac, Emilie M Hardy, Fabrice Monteau, Karine Pouponneau, Bruno Le Bizec, Brice M R Appenzeller
The present study addresses the hypothesis that the concentration of tetrahydroxylated Polycylic Aromatic Hydrocarbons (tetra-OH-PAHs) in hair might be a useful biomarker of human exposure to PAHs, providing quantitative assessment of the internal dose, as well as information on the associated toxicity in relation to individual's specific metabolism. By means of animal models, this work aimed at identifying new tetra-OH-PAHs which can be released from the hydrolysis of DNA-adducts and can also be directly detected in biological matrices usually used in the field of biomonitoring such as hair and urine...
December 1, 2017: Analytica Chimica Acta
https://www.readbyqxmd.com/read/29126329/effect-of-benzo-a-pyrene-on-spindle-mis-orientation-and-fidelity-of-chromosome-segregation-in-lung-epithelial-beas-2b-cells
#19
Jose Thaiparambil, Oula Mansour, Randa El-Zein
Benzo[a]pyrene (B[a]P) is an environmental carcinogen found in tobacco smoke. It leads to high levels of DNA adducts in the lungs of cigarette smokers contributing to genomic instability. Alterations in the mitotic spindle apparatus play a major role in the generation of genomic instability through promoting chromosome mis-segregation and aneuploidy. To date, the effect of B[a]P exposure on altering the mitotic apparatus in normal lung epithelial cells remains unknown. In our study, BEAS-2B human bronchial epithelial cells were exposed to B[a]P and spindle dynamics were evaluated...
November 6, 2017: Toxicological Sciences: An Official Journal of the Society of Toxicology
https://www.readbyqxmd.com/read/29126086/genome-wide-identification-of-31-cytochrome-p450-cyp-genes-in-the-freshwater-rotifer-brachionus-calyciflorus-and-analysis-of-their-benzo-%C3%AE-pyrene-induced-expression-patterns
#20
Jeonghoon Han, Duck-Hyun Kim, Hui-Su Kim, Hee-Jin Kim, Steven A J Declerck, Atsushi Hagiwara, Jae-Seong Lee
While marine invertebrate cytochrome P450 (CYP) genes and their roles in detoxification mechanisms have been studied, little information is available regarding freshwater rotifer CYPs and their functions. Here, we used genomic sequences and RNA-seq databases to identify 31 CYP genes in the freshwater rotifer Brachionus calyciflorus. The 31 Bc-CYP genes with a few tandem duplications were clustered into CYP 2, 3, 4, mitochondrial, and 46 clans with two marine rotifers Brachionus plicatilis and Brachionus koreanus...
October 17, 2017: Comparative Biochemistry and Physiology. Part D, Genomics & Proteomics
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