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Sean Ekins et al.
Drug metabolism and disposition: the biological fate of chemicals, 38(12), 2302-2308 (2010-09-17)
Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predictive in vivo, in vitro, and in silico models to identify compounds
Tiina J Kauppila et al.
Journal of the American Society for Mass Spectrometry, 25(11), 1870-1881 (2014-09-25)
A novel, gas-tight API interface for gas chromatography-mass spectrometry was used to study the ionization mechanism in direct and dopant-assisted atmospheric pressure photoionization (APPI) and atmospheric pressure laser ionization (APLI). Eight analytes (ethylbenzene, bromobenzene, naphthalene, anthracene, benzaldehyde, pyridine, quinolone, and
Colin J Murphy et al.
Physical chemistry chemical physics : PCCP, 17(47), 31931-31937 (2015-11-17)
Surface-bound molecular rotation can occur with the rotational axis either perpendicular (azimuthal) or parallel (altitudinal) to the surface. The majority of molecular rotor studies involve azimuthal rotors, whereas very few altitudinal rotors have been reported. In this work, altitudinal rotors
S S Lau et al.
Life sciences, 42(13), 1259-1269 (1988-01-01)
The metabolism and toxicity of bromobenzene has been investigated for well over one hundred years. The urinary excretion of mercapturic acids was first reported in 1879, in animals treated with bromobenzene. Bromobenzene has since proven to be a valuable tool
S Gopi et al.
Journal of ethnopharmacology, 127(1), 200-203 (2009-10-06)
To study the beneficial effect of the prior administration of an aqueous extract of Hemidesmus indicus against bromobenzene induced oxidative damage in rat liver mitochondria. Oxidative stress was induced in rats with bromobenzene (10 mmol/kg body wt.). The rate of
Bromobenzene-induced liver necrosis. Protective role of glutathione and evidence for 3,4-bromobenzene oxide as the hepatotoxic metabolite.
D J Jollow et al.
Pharmacology, 11(3), 151-169 (1974-01-01)
Verónica Guilarte et al.
Organic letters, 13(19), 5100-5103 (2011-09-03)
An efficient synthesis of thiophenes and benzo[b]thiophenes has been developed from easily available bromoenynes and o-alkynylbromobenzene derivatives. This novel one-pot procedure involves a Pd-catalyzed C-S bond formation using a hydrogen sulfide surrogate followed by a heterocyclization reaction. Moreover, in situ
Daniela Pagliero et al.
Proceedings of the National Academy of Sciences of the United States of America, 108(49), 19510-19515 (2011-11-22)
We use optical Faraday rotation (OFR) to probe nuclear spins in real time at high-magnetic field in a range of diamagnetic sample fluids. Comparison of OFR-detected NMR spectra reveals a correlation between the relative signal amplitude and the fluid Verdet
Brian D Fitz et al.
Journal of chromatography. A, 1392, 82-90 (2015-03-31)
Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct vapor. An Agilent LTM equipped with a short microbore capillary column was operated at
Nigel Greene et al.
Chemical research in toxicology, 23(7), 1215-1222 (2010-06-18)
Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals can make a significant contribution to the identification of potential
Heibatullah Kalantari et al.
Human & experimental toxicology, 30(10), 1710-1715 (2011-01-21)
The efficacy of a crude hydro-alcoholic extract of Cassia fistula (golden shower tree) fruit to protect the kidney against bromobenzene-induced toxicity was studied. Negative control mice received normal saline; positive control mice were given 460 mg/kg of bromobenzene; Cassia fistula
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
Yakov M Koen et al.
Chemical research in toxicology, 25(8), 1777-1786 (2012-07-26)
The hepatotoxicity of bromobenzene (BB) is directly related to the covalent binding of both initially formed epoxide and secondary quinone metabolites to at least 45 different liver proteins. 4-Bromophenol (4BP) is a significant BB metabolite and a precursor to reactive
Sergey Vshyvenko et al.
Bioorganic & medicinal chemistry letters, 21(16), 4750-4752 (2011-07-16)
The synthesis of two C-1 analogues of pancratistatin has been accomplished in 17 steps from bromobenzene. The key steps involved the enzymatic dihydroxylation, regioselective opening of epoxyaziridine 9 with the alane derived from 8, a solid-state silica-gel-catalyzed intramolecular opening of
Jonell N Smith et al.
The Analyst, 136(1), 120-127 (2010-10-27)
Gaseous ammonia, a common toxic industrial compound, is not detected readily in ion trap mass spectrometers because its molecular ion falls below the low-mass cutoff (~m/z 40) normally used when examining organic compounds. Instead, reactions of ammonia with halobenzene radical
DHTP ligands for the highly ortho-selective, palladium-catalyzed cross-coupling of dihaloarenes with grignard reagents: a conformational approach for catalyst improvement.
Shunpei Ishikawa et al.
Angewandte Chemie (International ed. in English), 49(4), 772-775 (2009-12-18)
Aiichiro Nagaki et al.
Chemical communications (Cambridge, England), 49(31), 3242-3244 (2013-03-15)
Reactions of functionalized aryllithiums with dialkyl oxalates were achieved using a flow microreactor to obtain α-keto esters with high selectivity by virtue of fast 1 : 1 micromixing.
Sriram Gopi et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 48(8-9), 2170-2175 (2010-05-22)
The objective of the current study was to investigate the protective effect of an aqueous extract of Phyllanthus fraternus (AEPF) against bromobenzene induced mitochondrial dysfunction in rat liver mitochondria. Administration of bromobenzene (10 mmol/kg body wt.) significantly decreased the rate
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
Maryam Ebrahimi et al.
Journal of the American Chemical Society, 133(41), 16560-16565 (2011-09-02)
Adsorbates on metals, but not previously on semiconductors, have been observed to display long-range repulsive interactions. On metals, due to efficient dissipation, the repulsions are weak, typically on the order of 5 meV at 10 Å. On the 7×7 reconstruction
Maria J Nueda et al.
Biostatistics (Oxford, England), 13(3), 553-566 (2011-11-17)
Transcriptomic profiling experiments that aim to the identification of responsive genes in specific biological conditions are commonly set up under defined experimental designs that try to assess the effects of factors and their interactions on gene expression. Data from these
Jožica Dolenc et al.
Journal of computer-aided molecular design, 25(8), 709-716 (2011-07-08)
Docking algorithms for computer-aided drug discovery and design often ignore or restrain the flexibility of the receptor, which may lead to a loss of accuracy of the relative free enthalpies of binding. In order to evaluate the contribution of receptor
Weihua Gao et al.
Toxicology and applied pharmacology, 247(3), 211-221 (2010-07-14)
Chemical-induced glutathione depletion is thought to be caused by two types of toxicological mechanisms: PHO-type glutathione depletion [glutathione conjugated with chemicals such as phorone (PHO) or diethyl maleate (DEM)], and BSO-type glutathione depletion [i.e., glutathione synthesis inhibited by chemicals such
Takeki Uehara et al.
Molecular nutrition & food research, 54(2), 218-227 (2009-12-31)
Biotechnology advances have provided novel methods for the risk assessment of chemicals. The application of microarray technologies to toxicology, known as toxicogenomics, is becoming an accepted approach for identifying chemicals with potential safety problems. Gene expression profiling is expected to
Protective effect of Cassia fistula fruit extract against bromobenzene-induced liver injury in mice.
Heibatullah Kalantari et al.
Human & experimental toxicology, 30(8), 1039-1044 (2010-10-12)
In the present study, hepatoprotective effect of Cassia fistula fruit extract was investigated in mice. Animals were divided into six groups receiving normal saline (1), bromobenzene (460 mg/kg) alone (2) and together with increasing doses (200, 400, 600, 800 mg/kg)
Salim Sioud et al.
Rapid communications in mass spectrometry : RCM, 28(22), 2389-2397 (2014-10-11)
The formation of ions during atmospheric pressure photoionization (APPI) mass spectrometry in the positive mode usually provides radical cations and/or protonated species. Intriguingly, during the analysis of some N-alkyl-substituted thieno[3,4-c]pyrrole-4,6-dione (TPD) derivatives synthesized in our laboratory, unusual [M-H](+) ion peaks
Scott N Mlynarski et al.
Nature, 505(7483), 386-390 (2013-12-20)
Terminal, monosubstituted alkenes are ideal prospective starting materials for organic synthesis because they are manufactured on very large scales and can be functionalized via a broad range of chemical transformations. Alkenes also have the attractive feature of being stable in
M A Hamed et al.
European review for medical and pharmacological sciences, 17(5), 569-581 (2013-04-02)
Volatile halocarbon, bromobenzene (BB), is frequently encountered in table-ready foods as contaminants residues. The objective of this study was to investigate whether black seed oil could attenuate hepato-renal injury induced by BB exposure. The evaluation was done through measuring liver
Jonathon M Muncie et al.
Developmental cell, 55(6), 679-694 (2020-11-19)
Embryogenesis is directed by morphogens that induce differentiation within a defined tissue geometry. Tissue organization is mediated by cell-cell and cell-extracellular matrix (ECM) adhesions and is modulated by cell tension and tissue-level forces. Whether cell tension regulates development by modifying
Toshiyuki Shikata et al.
The journal of physical chemistry. B, 116(41), 12605-12613 (2012-09-25)
The dielectric behaviors of typical benzene monosubstitutes, bromobenzene (Br-Bz) and benzonitrile (NC-Bz), were investigated up to 3 THz in the pure liquid state over a temperature range from 10 to 60 °C to understand differences in molecular motions of these
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