Category: 112-63-0

Melo, M. J.; Pina, Fernando; Macanita, Antonio L.; Melo, Eurico C.; Herrmann, Christiane; Foerster, Rolf; Koch, Helmut; Wamhoff, Heinrich published the artcile< Photochemistry of 2-(2-furyl)benzimidazole (Fuberidazole)>, COA of Formula: C19H34O2, the main research area is photolysis furylbenzimidazole; benzimidazole furyl photolysis; Fuberidazole photolysis.

The photodegradation of 2-(2-furyl)benzimidazole (Fuberidazole) has been reinvestigated employing advanced HPLC-UV/VIS technique and fluorescence emission and excitation spectroscopy in methanol at natural pH, in acidic medium and in aqueous solutions at pH 7 and 3; four main products, benzimidazole-2-carboxylic acid, its Me ester, 1-methoxybenzimidazole, and Me 4-oxo-2-benzimidazolecrotonate (cis and trans isomers), besides benzimidazole and 2,2′-bibenzimidazole and other side products, have been isolated and characterized. The kinetics of the photodegradation process were followed independently by HPLC-UV and fluorescence emission and showed significant similarity; this allowed monitoring of a photodegradation at very low concentrations (5 × 10-5-5 × 10-6 M). The quantum yield of disappearance of Fuberidazole has been determined

Zeitschrift fuer Naturforschung, B: Chemical Sciences published new progress about Photolysis. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kammarabutr, Jirayu; Mahalapbutr, Panupong; Okumura, Hisashi; Wolschann, Peter; Rungrotmongkol, Thanyada published the artcile< Structural dynamics and susceptibility of anti-HIV drugs against HBV reverse transcriptase>, Formula: C19H34O2, the main research area is stavudine didanosine HBV reverse transcriptase structural dynamics; Antiviral drug discovery; hepatitis B virus; nucleoside analogue inhibitors; reverse transcriptase.

Hepatitis B virus (HBV), a small enveloped DNA virus, attacks the human liver causing both acute and chronic diseases. Current therapeutic drugs use the nucleos(t)ide analogs (NAs) as a competitive inhibitor against HBV reverse transcriptase (HBV-RT), an essential enzyme pivotally involved in viral replication. Unfortunately, this treatment still causes the development of resistant variants of HBV against NAs. As HBV-RT is homologous to the human immunodeficiency virus reverse transcriptase (HIV-RT), it is reasonable to treat HBV-RT with anti-HIV drugs. In the present study, we aimed to investigate the structural dynamics and susceptibility of the known anti-HIV drugs (stavudine [d4T], didanosine [DDI], and zidovudine [ZDV]) against HBV-RT enzyme in comparison to the anti-HBV drug lamivudine (3TC) and deoxythymidine triphosphate (dTTP) substrate using several computational approaches. The calculations revealed that seven polar residues (K32, R41, D83, S85, D205, N236, and K239) and three hydrophobic residues (A86, A87, and F88) of HBV-RT as well as the adjacent DNA strands play an important role in the ligand binding. In addition, the H-bond pattern of d4T is similar to that of 3TC, especially at the residues A86 and A87. Such interactions promote the favorable conformation of ligand in the HBV-RT binding pocket, while the several different conformations of ligand are found in the unbound state. The predicted binding free energy results based on QM/MM-GBSA and MM/GB(PB)SA methods suggested that the susceptibility towards HBV-RT of d4T and ZDV is higher than that of 3TC and dTTP. Altogether, this work sheds light on the potentiality of d4T and ZDV as a promising drug for HBV-infected patients harboring 3TC resistance.

Journal of Biomolecular Structure and Dynamics published new progress about Anti-hepatitis B virus agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kim, Suntae; Jeon, Jang Su; Choi, Yong June; Baek, Ga Hee; Kim, Sang Kyum; Kang, Keon Wook published the artcile< Heterogeneity of glutamine metabolism in acquired-EGFR-TKI-resistant lung cancer>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is lung cancer glutamine metabolism heterogeneity; Acquired EGFR-TKI-resistant lung cancer; CB-839; CB-839 (Telaglenastat; Glutamine metabolism; PubChem CID: 71577426).

The purpose of this study was to evaluate the heterogeneities of glutamine metabolism in EGFR-TKI-resistant lung cancer cells and its potential as a therapeutic target. Cell proliferation and cell cycle assays was performed by IncuCyte real-time anal. and flow cytometry, resp. Tumor growth was assessed in xenografts implanted with HCC827 GR. An isotopologue anal. was conducted by LC-MS/MS using 13C-(U)-glutamine labeling to determine the amounts of metabolites. Cellular ATP and mitochondrial oxidative phosphorylation were determined by XFp anal. We found that the cell growth of the two acquired EGFR-TKI-resistant lung cancer cells lines (HCC827 GR and H292 ER) depends on glutamine. In HCC827 GR, glutamine deficiency caused reduced GSH synthesis and, subsequently, enhanced ROS generation relative to their parental cells, HCC827. On the other hand, in H292 ER, glutamine mainly acted as a carbon source for TCA-cycle intermediates, and its depletion led to reduced mitochondrial ATP production CB-839, a specific GLS inhibitor, inhibited the latters conversion of glutamine to glutamate and exerted enhanced anti-proliferating effects on the two acquired EGFR-TKI-resistant lung cancer cell lines vs. their parental cell lines. Moreover, oral administration of CB-839 significantly suppressed HCC827 GR tumor growth in the xenograft model. These findings suggest that glutamine dependency in acquired EGFR-TKI-resistant lung cancer is heterogeneous and that inhibition of glutamine metabolism by CB-839 may serve as a therapeutic tool for acquired EGFR-TKI-resistant lung cancer.

Life Sciences published new progress about Antiproliferative agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Shahedi, Mansour; Habibi, Zohreh; Yousefi, Maryam; Brask, Jesper; Mohammadi, Mehdi published the artcile< Improvement of biodiesel production from palm oil by co-immobilization of Thermomyces lanuginosa lipase and Candida antarctica lipase B: Optimization using response surface methodology>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Thermomyces lanuginose Candida antarctica lipase biodiesel response surface methodol; Biodiesel; Co-immobilization; Enzyme; Lipase; Multicomponent reactions.

Candida antarctica lipase B (CALB) and Thermomyces lanuginose lipase (TLL) were co-immobilized on epoxy functionalized silica gel via an isocyanide-based multicomponent reaction. The immobilization process was carried out in water (pH 7) at 25°, rapidly (3 h) resulting in high immobilization yields (100%) with a loading of 10 mg enzyme/g support. The immobilized preparations were used to produce biodiesel by transesterification of palm oil. In an optimization study, response surface methodol. (RSM) and central composite rotatable design (CCRD) methods were used to study the effect of five independent factors including temperature, methanol to oil ratio, t-butanol concentration and CALB:TLL ratio on the yield of biodiesel production The optimum combinations for the reaction were CALB:TLL ratio (2.1:1), t-butanol (45 wt%), temperature (47°), methanol:oil ratio (2.3). This resulted in a FAME yield of 94%, very close to the predicted value of 98%.

International Journal of Biological Macromolecules published new progress about Biodiesel fuel. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lei, Beilei; Li, Jiazhong; Liu, Huanxiang; Yao, Xiaojun published the artcile< Accurate prediction of aquatic toxicity of aromatic compounds based on genetic algorithm and least squares support vector machines>, Product Details of C19H34O2, the main research area is aquatic toxicity aromatic compound genetic algorithm statistics.

Quant. Structure – Toxicity Relationship (QSTR) plays an important role in ecotoxicol. for its fast and practical ability to assess the potential neg. effects of chems. The aim of this investigation was to develop accurate QSTR models for the aquatic toxicity of a large set of aromatic compounds through the combination of Least Squares Support Vector Machines (LS-SVMs) and a Genetic Algorithm (GA). Mol. descriptors calculated by DRAGON package and log P were used to describe the mol. structures. The most relevant descriptors used to build QSTR models were selected by a GA-Variable Subset Selection procedure. Multiple Linear Regression (MLR) and nonlinear LS-SVMs methods were employed to build QSTR models. The predictive ability of the derived models was validated using both the test set, selected from the whole data set by the Kennard – Stone Algorithm, and an external prediction set. The model applicability domain was checked by the leverage approach and the external prediction set was used to verify the predictive reliability of the models. The results indicated that the proposed QSTR models are robust and satisfactory, and can provide a feasible and promising tool for the rapid assessment of the toxicity of chems.

QSAR & Combinatorial Science published new progress about Aquatic toxicity. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Hass, Daniel T.; Bisbach, Celia M.; Robbings, Brian M.; Sadilek, Martin; Sweet, Ian R.; Hurley, James B. published the artcile< Succinate metabolism in the retinal pigment epithelium uncouples respiration from ATP synthesis>, Electric Literature of 112-63-0, the main research area is retinal pigment epithelium respiration ATP synthesis succinate metabolism; CP: metabolism; anion transport; cell metabolism; energy metabolism; mitochondrial respiratory chain; retinal metabolism; retinal pigment epithelium; succinate; uncoupling.

Fumarate can be a surrogate for O2 as a terminal electron acceptor in the electron transport chain. Reduction of fumarate produces succinate, which can be exported. It is debated whether intact tissues can import and oxidize succinate produced by other tissues. In a previous report, we showed that mitochondria in retinal pigment epithelium (RPE)-choroid preparations can use succinate to reduce O2 to H2O. However, cells in that preparation could have been disrupted during tissue isolation. We now use multiple strategies to quantify intactness of the isolated RPE-choroid tissue. We find that exogenous 13C4-succinate is oxidized by intact cells then exported as fumarate or malate. Unexpectedly, we also find that oxidation of succinate is different from oxidation of other substrates because it uncouples electron transport from ATP synthesis. Retinas produce and export succinate. Our findings imply that retina succinate may substantially increase O2 consumption by uncoupling adjacent RPE mitochondria.

Cell Reports published new progress about Choroid. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Wang, Na; Chen, Shuang; Zhou, Zhemin published the artcile< Age-dependent characterization of volatile organic compounds and age discrimination in Chinese rice wine using an untargeted GC/MS-based metabolomic approach>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is rice wine aging volatile organic compound metabolomics GC MS; 2,3,5,6-Tetramethylpyrazine (PubChem CID: 14296); 2-Phenylbut-2-enal (PubChem CID: 6429333); 3-Methylbutanoic acid (PubChem CID: 10430); 3-Methylbutanol (PubChem CID: 31260); 3-Methylthiopropanol (PubChem CID: 10448); Acetophenone (PubChem CID: 7410); Age discrimination; Chinese rice wine; Ethyl 3-methylbutanoate (PubChem CID: 7945); Furfural (PubChem CID: 7362); Gas chromatography/mass spectrometry (GC/MS); Guaiacol (PubChem CID: 460); Metabolomics; Partial least squares regression (PLSR); Volatile organic compounds (VOCs); γ-Nonalactone (PubChem CID: 7710).

An untargeted gas chromatog./mass spectrometry (GC/MS)-based metabolomics by XCMS-Online software combined with partial least squares regression (PLSR) was applied to characterize volatile organic compounds (VOCs) during Chinese rice wine aging and discriminate ages for the first time. Finally, seven different ages between 0 and 15 years were well discriminated by PLSR. Total 104 feature groups were isolated from all optimized candidate peaks, and 94 VOCs (including unknowns) were preliminarily identified as aging markers. Therein, alcs., sulfides, phenols and their derivatives, small esters and acids exhibited significantly better discrimination of short-aged rice wines. Correspondingly, furans, aromatics, aldehydes, ketones, most esters and acids, discriminated the long-aged samples better. Meanwhile, the potential origins of certain VOCs were also proposed for further research. Overall, this untargeted GC/MS-based metabolomics coupled with PLSR was a feasible tool for a rapidly and globally age-dependent characterization of volatile metabolomic signals in Chinese rice wine and thus for age discrimination.

Food Chemistry published new progress about Acids Role: ANT (Analyte), ANST (Analytical Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Zhang, Shan-Jun; Cui, Hai-Lei; Jiang, Kun; Li, Rui; Ding, Zhen-Yu; Chen, Ying-Chun published the artcile< Enantioselective Allylic Amination of Morita-Baylis-Hillman Carbonates Catalysed by Modified Cinchona Alkaloids>, COA of Formula: C19H34O2, the main research area is ester unsaturated imido asym synthesis; carbonate ester unsaturated enantioselective allylic amination cyclic imide cinchona.

An efficient procedure for the asym. allylic amination of Morita-Baylis-Hillman carbonates I (R = Ph, 2-ClC6H4, 3-MeC6H4, 1-naphthyl, 2-thienyl, etc.) with cyclic imides II (phthalimide, tetrachlorophthalimide, tetrabromophthalimide, cis-hexahydrophthalimide, 1,8-naphthalimide) catalyzed by com. available cinchona alkaloids is reported. It proves to be a facile protocol that affords α-methylene-β-imido esters III with good-to-excellent enantioselectivities (up to 94 % ee) and in high yields (up to 97 %). (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009).

European Journal of Organic Chemistry published new progress about Allylic substitution reaction (stereoselective). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Phukan, Kandarpa; Chutia, Gobinda Prasad; Chutia, Sudipta published the artcile< Synthesis of Biodiesel from Indigenous Xanthium Strumarium (Cocklebur) Non-Edible Oil Available in Assam, India>, Electric Literature of 112-63-0, the main research area is Xanthium strumarium biodesel synthesis transesterification.

Xanthium strumarium seed oils had been investigated as a potential non-edible biodiesel feedstock. The Xanthium strumarium seeds expressed about 38% oil content via solvent extracton technique. Physicochem. parameters of oil such as acid value, iodine value, saponification value, etc. were determined exptl. to prove its feasibility for biodiesel production The Xanthium strumarium Me esters or biodiesel were synthesized via transesterification reaction using K2CO3 as a catalyst and a 97% yield was attained at optimum reaction parameters. The characterization of produced biodiesel was done by fourier transform IR (FTIR), proton NMR (1H NMR) and carbon-13 NMR (13C NMR) spectroscopy. Gas chromatog.-mass spectrometry (GC-MS) anal. was employed to determine the composition of fatty acid Me esters of methylated oil. The fuel parameters like d., viscosity, acid value, calorific value, flash point, pour and cloud point of the biodiesel were evaluated as per American Society for Testing and Materials (ASTM) D6751 standard

ChemistrySelect published new progress about Acid number. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Li, Rui-Qi; Huang, Tao; Gong, Shu-Ling published the artcile< Preparation of high hydroxyl self-emulsifying polyester and compounding with acrylate>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is hydroxyl polyester acrylate emulsion film waterborne coating.

Waterborne saturated polyester (WSP) with high hydroxyl content was prepared through solution polymerization by using stepwise feeding and stage heating methods. The stability of polyester dispersion was enhanced via control of the mol. structure and polymerization process. The effect of polymerization conditions, monomer types, and catalyst types was determined The effects of the alc.-to-acid ratio, trimethylolpropane content, the feeding method, the content of terminal monomer and branching monomer on the dispersion were investigated. The stability of the self-emulsifying polyester and water resistance of the film were excellent. The transesterification of WSP afforded waterborne unsaturated polyester. Polyester-acrylate composite emulsion was prepared by phys. blending or copolymerization with unsaturated polyester. The viscosity of the composite emulsion, hardness and water resistance were improved. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 48278.

Journal of Applied Polymer Science published new progress about Acid number. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics