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Kanan Wahedy, Bassam Abu Thaher, Dieter Schollmeyer, Ihab Almasri, Rami Morjan, Basem Qeshta, Hans-Peter Deigner
The side product of the cyclo-condensation reaction between ethyl benzimidazole-2-carboxyl-ate and the nitrile imine of the corresponding hydrazonyl chloride, C20H11BrClN5O, crystallized in two crystal forms. Form (1) is a co-crystal of the target compound (without any chlorine substituent) and a side product containing a Cl atom in position 2 of the bromo-phenyl group, C20H12BrN5O·0.143C20H11BrClN5O. (2) contains the pure side product. The slightly different conformation of the ring systems leads to a different packing of (1) and (2), but both crystal structures are dominated by π-π inter-actions...
September 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Belakavadi K Sagar, Marisiddaiah Girisha, Hemmige S Yathirajan, Ravindranath S Rathore, Christopher Glidewell
In both 2-amino-4,4,7,7-tetra-methyl-4,5,6,7-tetra-hydro-1,3- benzo-thia-zol-3-ium benzoate, C11H19N2S(+)·C7H5O2(-), (I), and 2-amino-4,4,7,7-tetra-methyl-4,5,6,7-tetra-hydro-1,3-benzo-thia-zol-3-ium picrate (2,4,6-tri-nitro-phenolate), C11H19N2S(+)·C6H2N3O7(-), (II), the cations are conformationally chiral as the six-membered rings adopt half-chair conformations, which are disordered over two sets of atomic sites giving approximately enanti-omeric disorder. For both cations, the bond lengths indicate delocalization of the positive charge comparable to that in an amidinium cation...
September 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Li Yee Then, C S Chidan Kumar, Huey Chong Kwong, Yip-Foo Win, Siau Hui Mah, Ching Kheng Quah, S Naveen, Ismail Warad
2-(Benzo-furan-2-yl)-2-oxoethyl 2-chloro-benzoate, C17H11ClO4 (I), and 2-(benzo-furan-2-yl)-2-oxoethyl 2-meth-oxy-benzoate, C18H14O5 (II), were synthesized under mild conditions. Their chemical and mol-ecular structures were analyzed by spectroscopic and single-crystal X-ray diffraction studies, respectively. These compounds possess different ortho-substituted functional groups on their phenyl rings, thus experiencing extra steric repulsion force within their mol-ecules as the substituent changes from 2-chloro (I) to 2-meth-oxy (II)...
July 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Hemant P Yennawar, Ryan Fox, Quentin J Moyer, Ziwei Yang, Lee J Silverberg
In the racemic title compound, C20H15NO2S, the planes of the two phenyl substituents form dihedral angles of 48.97 (15) and 69.26 (15)° with that of the fused benzene ring of the parent benzo-thia-zine ring, while the heterocyclic thia-zine ring exhibits a screw-boat pucker. The O atom on the S atom of the ring is pseudo-axial on the thia-zine ring and trans to the 2-phenyl group. In the crystal, mol-ecules are arranged in layers in the ac plane, the layers being linked across b through inter-molecular C-H⋯O hydrogen-bonding inter-actions...
July 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Joel Donkeng Dazie, Jiří Ludvík, Jan Fábry, Václav Eigner
The asymmetric unit of the title compound, C12H15NO, comprises two sym-metry-independent mol-ecules which differ mainly in the conformations of the tert-butyl groups. The mol-ecules contain an essentially planar five-membered 3-pyrroline ring incorporating a carbonyl substituent (pyrrolinone) which forms part of an isoindolinone skeleton. The planarity of the pyrrole ring is compared to other structures with isoindolinone. There are only weak intra- and inter-molecular C-H⋯O and C-H⋯π-electron-ring inter-actions in the crystal structure...
July 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
John Nicolson Low, Ligia R Gomes, Alexandra Gaspar, Fernanda Borges
Herein, the synthesis and crystal structure of 7-hy-droxy-3-(2-meth-oxy-phen-yl)-2-tri-fluoro-meth-yl-4H-chromen-4-one, C17H11F3O4, are reported. This isoflavone is used as a starting material in the preparation an array of potent and competitive FPR antagonists. The pyran ring significantly deviates from planarity and the dihedral angle between the benzo-pyran mean plane and that of the exocyclic benzene ring is 88.18 (4)°. In the crystal, O-H⋯O hydrogen bonds connect the mol-ecules into C(8) chains propagating in the [010] direction...
July 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Zhi Zeng, Zhongyin Ji, Na Hu, Bo Bai, Honglun Wang, Yourui Suo
Caragana korshinskii Kom. (CK), one of afforestation tree species, is widely planted in northwest region of China. To compare the constituents as references for further utilization of CK, C. microphyll Lam. (CM) and C. jubata L. (CJ), been used as traditional Chinese medicine, were taken into consideration. To obtain more information on CK for further utilization, a sensitive and stable pre-column derivatization method for the analysis of fatty acids (FAs) was established using a novel labeling reagent 2-(5H-benzo[a]-carbazol-11(6H)-yl)ethyl hydrazine-carboxylate (BCEHC) by HPLC with fluorescence detector...
July 24, 2017: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
Andrea Rossnerova, Michaela Pokorna, Vlasta Svecova, Radim J Sram, Jan Topinka, Friedo Zölzer, Pavel Rossner
The human population is continually exposed to numerous harmful environmental stressors, causing negative health effects and/or deregulation of biomarker levels. However, studies reporting no or even positive impacts of some stressors on humans are also sometimes published. The main aim of this review is to provide a comprehensive overview of the last decade of Czech biomonitoring research, concerning the effect of various levels of air pollution (benzo[a]pyrene) and radiation (uranium, X-ray examination and natural radon background), on the differently exposed population groups...
July 2017: Mutation Research
Andrzej Wnorowski, Jean-Pierre Charland
This paper presents new findings on polycyclic aromatic hydrocarbon oxidation products-quinones that were collected in ambient air samples in the proximity of oil sands exploration. Quinones were characterized for their diurnal concentration variability, phase partitioning, and molecular size distribution. Gas-phase (GP) and particle-phase (PM) ambient air samples were collected separately in the summer; a lower quinone content was observed in the PM samples from continuous 24-h sampling than from combined 12-h sampling (day and night)...
September 5, 2017: Chemosphere
G J Ortiz, Y Li, S M Post, V Pant, S Xiong, C A Larsson, A K El-Naggar, D G Johnson, G Lozano
MDM2, an E3 ubiquitin ligase, is a potent inhibitor of the p53 tumor suppressor and is elevated in many human cancers that retain wild-type p53. MDM2 SNP309G is a functional polymorphism that results in elevated levels of MDM2 (due to enhanced SP1 binding to the MDM2 promoter) thus decreasing p53 activity. Mdm2(SNP309G/G) mice are more prone to spontaneous tumor formation than Mdm2(SNP309T/T) mice, providing direct evidence for the impact of this SNP in tumor development. We asked whether environmental factors impact SNP309G function and show that SNP309G cooperates with ionizing radiation to exacerbate tumor development...
September 18, 2017: Oncogene
Walaiporn Orakij, Thaneeya Chetiyanukornkul, Thanyarat Chuesaard, Yuichi Kaganoi, Waka Uozaki, Chiharu Homma, Yaowatat Boongla, Ning Tang, Kazuichi Hayakawa, Akira Toriba
A personal inhalation exposure and cancer risk assessment of rural residents in Lampang, Thailand, was conducted for the first time. This highlighted important factors that may be associated with the highest areal incidence of lung cancer. Personal exposure of rural residents to polycyclic aromatic hydrocarbons (PAHs) and their nitro-derivatives (NPAHs) through inhalation of fine particulate matter (PM2.5) was investigated in addition to stationary air sampling in an urban area. The personal exposure of the subjects to PM2...
September 18, 2017: Environmental Monitoring and Assessment
Ihuoma N Anyanwu, Ojerime I Clifford, Kirk T Semple
When aromatic hydrocarbons are present in contaminated soils, they often occur in mixtures. The impact of four different (3-ring) nitrogen-containing polycyclic aromatic hydrocarbons (N-PAHs) on (12/14)C-phenanthrene and (12/14)C-benzo[a]pyrene (B[a]P) mineralisation in soil was investigated over a 90 d incubation period. The results revealed that both (12/14)C-phenanthrene and (12/14)C-benzo[a]pyrene showed no significant mineralisation in soils amended with 10mgkg (-1) and 100mgkg (-1) N-PAHs (p>0.05)...
September 15, 2017: Ecotoxicology and Environmental Safety
Jie S Zhu, Jung-Ho Son, Andrew P Teuthorn, Makhluf J Haddadin, Mark J Kurth, Dean J Tantillo
The discovery of a new variation on the Davis-Beirut reaction is described in which an atypical heterocyclic framework (the anthranil or benzo[c]isoxazole framework) is formed as the result of diversion of a key reactive intermediate away from its expected reactivity - a potentially general approach to reaction design and development. Experimental and computational support for the proposed mechanism and origins of altered reactivity are described.
September 19, 2017: Journal of Organic Chemistry
Xinyi Niu, Steven Sai Hang Ho, Kin Fai Ho, Yu Huang, Jian Sun, Qiyuan Wang, Yaqing Zhou, Zhuzi Zhao, Junji Cao
The chemical composition of PM2.5 and cellular effects from exposure to fine aerosol extracts were studied for samples collected in Beijing, Tianjin, Shijiazhuang, and Hengshui, China in winter 2015. Effects of priority polycyclic aromatic hydrocarbons (PAHs) and their oxygenated derivatives (OPAHs) in PM2.5 on cell cultures were a major focus of the study. Total quantified PAHs and OPAHs at Shijiazhuang and Hengshui were higher than at Beijing and Tianjin, and benz(a)anthracene, chrysene and 1,8-naphthalic anhydride were the most abundant species...
September 12, 2017: Environmental Pollution
M A Martín-Lara, N Ortuño, J A Conesa
Heavy metal-loaded almond shell was subjected to pyrolysis to understand the effect of the presence of different heavy metals on its thermal degradation. Pyrolysis behavior of native and metal-loaded samples was studied by thermogravimetric analysis. Similar shapes of thermogravimetric curves indicate that the presence of cadmium (Cd), chromium (Cr), copper (Cu), nickel (Ni) and lead (Pb) did not change the main degradation pathways of almond shell. However, the temperature at which the decomposition in each stage takes place at a higher rate and char yield was considerably modified by the presence of Cr and Ni...
September 14, 2017: Science of the Total Environment
Qinqin Song, Hailong Zhou, Qian Han, Xiaoping Diao
Dichlorodiphenyltrichloroethane (DDT) and benzo(a)pyrene (BaP) are environmental estrogens (EEs) that are ubiquitous in the marine environment. In the present study, we integrated isobaric tags for relative and absolute quantitation (iTRAQ)-based proteomic and nuclear magnetic resonance (NMR)-based metabolomic approaches to explore the toxic responses of green mussel hepatopancreas exposed to DDT (10μg/L), BaP (10μg/L) and their mixture. The metabolic responses indicated that BaP primarily disturbed energy metabolism and osmotic regulation in the hepatopancreas of the male green mussel P...
September 11, 2017: Aquatic Toxicology
Yuewen Yu, Hongping Xu, Wang Zhang, Bingxiang Wang, Yuliang Jiang
A novel simple and readily synthesized turn-on fluorescent probe 4-(benzo[d]thiazol-2-yl)-1,3-phenylene bis(2-chloroacetate) (BPBC) for cysteine (Cys) was reported. This probe was designed based on an excited-state intramolecular proton transfer (ESIPT) dye: benzothiazole, and two chloroacetate groups present in benzothiazole as the reaction sites for Cys. It shows high selectivity and sensitivity for Cys over other amino acids including the similar structured homocysteine (Hcy) and glutathione (GSH). In addition, probe BPBC was successfully applied to bioimage intracellular Cys in living cells with low cytotoxicity...
January 1, 2018: Talanta
Ting Yu, Guoxing Yin, Tingting Niu, Peng Yin, Haitao Li, Youyu Zhang, Haimin Chen, Ying Zeng, Shouzhuo Yao
A novel fluorescent probe (E)-3-ethyl-2-(4-hydroxystyryl)-1,1-di-methyl-1H-benzo-[e]indolium iodide (probe EDB) based on benzo[e]indolium was synthesized, which provided the simultaneous detection of SO3(2-)/HSO3(-) and HSO4(-) ion with different emission channels. Based on the principle of ion-induced rotation-displaced H-aggregates, when treated with NaHSO4, a fluorescence enhancement at 580nm was observed with the excitation wavelength at 420nm. While, in the advantage of the nucleophilic addition of SO3(2-) to the vinyl group, strong fluorescence was obtained at 455nm when treated with Na2SO3 with the excitation wavelength at 320nm, along with obvious color change by naked eyes...
January 1, 2018: Talanta
Dipti Singharoy, Soumya Sundar Mati, Swadesh Ghosh, Subhash Chandra Bhattacharya
A study of the comparative drug carrier properties of cucurbituril[7] (CB7) and β-cyclodextrin (β-CD) with a naphthalimide derivative, [2-(2-aminoethyl)-1H-benzo[deisoquinoline-1,3(2H)-dione] (NAP) and its release in aqueous solution using micellar environment, is the key research interest of this work. The profound changes in the different spectroscopic behavior have been attributed to the formation of a 1:1 inclusion complex for NAP:CB7 system. Several experimental outcomes clearly interpreted that CB7 has better drug carrier properties for NAP compared to β-CD...
September 6, 2017: Colloids and Surfaces. B, Biointerfaces
Priyanka Agarwal, Laxmi Singh, Madhu Anand, Ajay Taneja
Polycyclic aromatic hydrocarbons are known to disturb the antioxidant defense system, which may indirectly contribute to induction of early pregnancy in women. Therefore, the present investigation was designed to offer preliminary information about exposure to PAHs by estimating their placental levels and its association with oxidative stress as well as with preterm birth. Placenta tissue samples were drawn after delivery from 84 healthy pregnant women, recruited at a local nursing home of Agra, India, and levels of PAHs were quantified by gas chromatograph equipped with flame ionization detector...
September 15, 2017: Archives of Environmental Contamination and Toxicology
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