Category: 112-63-0

Maertens, Christophe; Zhang, Jian-Xin; Dubois, Philippe; Jerome, Robert published the artcile< Synthesis and characterization of end-functionalized oligo(vinylthiophenes) with liquid crystal properties>, Application In Synthesis of 112-63-0, the main research area is end functionalized vinylthiophene liquid crystal property.

A general scheme for the synthesis of end-functionalized conjugated (E)-vinylthiophene oligomers with liquid crystal and potential 2nd-order nonlinear optical properties is described. These push-pull thiophene-containing aromatic mols. show mesogenic properties over different temperature ranges depending on the chain length and the functional end-groups.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry published new progress about Liquid crystals. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

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

Cheryl-Low, Y. L.; Kong, Pei San; Lee, Hwei Voon published the artcile< Environmentally adapted bio-oil compounds-derived polyolesters synthesis: Optimization and properties of base fluids>, SDS of cas: 112-63-0, the main research area is polyolester biooil base fluid esterification reusability; Bioenergy; Biomass; Brown algae alginate; Esterification; Viscosity index.

Non-edible bio-oil derived from lignocellulosic biomass could be used as environmentally friendly lubricant-ester base stock for maritime and road-type transportations. However, the use of crude bio-oil with highly oxygenated compounds required further upgrading to yield ester that mimicked the characteristics of Group V base oil (polyolesters). In this study, bio-oil based polyolesters was produced via esterification using green biopolymer alginate acid catalyst (Al-Alg). The bio-oil compounds used were acetic acid (AcA), propionic acid (PrA) and levulinic acid (LA), while polyols such as neopentyl glycol (NPG), trimethylolpropane (TMP) and pentaerythritol (PE) were used. Optimization studies revealed that NPG-PrA ester gave the best ester purity of 100%, with 95% of diester selectivity under optimum conditions of 15 wt% Al-Alg, 8 h, 6:1 PrA:NPG and 140掳C. The produced polyolesters showed potential lube characteristics with viscosity index of 76, kinematic viscosity of 2.3 mm2 s-1 at 40掳C and oxidative induction time of 15 min at 100掳C. Furthermore, a reusability study of the Al-Alg catalyst indicated high NPG-PrA diester selectivity (above 90%) for 8 consecutive cycles. The physico-chem. properties of spent Al-Alg catalyst were also discussed.

Journal of Hazardous Materials published new progress about Biomass (lignocellulosic). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

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

Sibbesen, Ole; Zhang, Zhoupeng; Ortiz de Montellano, Paul R. published the artcile< Cytochrome P450cam substrate specificity: relationship between structure and catalytic oxidation of alkylbenzenes>, Related Products of 112-63-0, the main research area is cytochrome P450cam specificity alkylbenzene structure; P 450cam specificity alkylbenzene structure.

The oxidation by cytochrome P 450cam (CYP101) of ethylbenzene and a series of substrates derived from it by addition of one, two, three, or four carbon atoms has been examined For each of the 18 substrates, the shift in spin state due to substrate binding, the extent of coupled turnover to give organic products and uncoupled turnover to give H2O2 and H2O, and the identities of the organic products have been determined The same studies have been carried out with the T185L and T185F mutants of P 450cam in which the active site volume is decreased. The results show that no detectable correlation exists between the observed spin state change and any other parameter studied. For substrates of equal size, coupled and uncoupled turnover vary widely but both are maximized when the Ph ring bears one large alkyl substituent or a Me ortho to the largest alkyl substituent. The presence of substituents in addition to these decreases activity. In the absence of other changes, coupled turnover is correlated with the size of the largest substituent, but no such correlation exists for uncoupled turnover. Decreasing the size of the active site cavity by a T185L mutation generally increases coupled turnover without altering the dependence on the alkyl group size. A T185F mutation causes too great an active site perturbation for structure-activity studies. Substrate oxidation occurs preferentially at 2�or 3�C-H bonds of the largest substituent or on the benzylic Me ortho to it. Aromatic hydroxylation only competes with the oxidation of nonbenzylic 1�C-H bonds. The extent of coupled turnover is a function of substrate shape, substrate size, and cavity size, but still elusive parameters control the extent of uncoupled turnover.

Archives of Biochemistry and Biophysics published new progress about Enzyme functional sites, active. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

Buyukyonga, Ozge Naz; Akgun, Nagihan; Acar, Isil; Guclu, Gamze published the artcile< The usage of novel acrylic-modified water-reducible alkyd resin obtained from post-consumer PET bottles in water-based paint formulation>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is acrylic modified alkyd resin preparation water based paint property.

Glycolysis reactions of waste polyethylene terephthalate (PET) flakes obtained from post-consumer water bottles were carried out at 220-250掳C using diethylene glycol, dipropylene glycol and triethylene glycol, and molar ratios of PET/glycol in the glycolysis reactions were chosen to be 1/3. The obtained glycolysis products were used in the synthesis of medium-oil acrylic-modified water-reducible alkyd resins. Acrylic modification was carried out using methacrylic acid-maleic acid copolymer synthesized in our laboratory The structure of the acrylic copolymer was investigated with FTIR anal. Films of the modified alkyd resins were prepared and their phys. and chem. surface coating properties were investigated. When surface coating test results were evaluated, it was observed that waste PET had no adverse effect on these properties of acrylic-modified water-reducible alkyd resins. Then, two water-based paints were prepared using PET-based acrylic-modified water-reducible alkyd resin and reference acrylic-modified water-reducible alkyd resin as binder. Wet paint properties and phys./chem. dry film properties of paints were determined When the phys. surface coating test results were evaluated, no difference was observed between the properties of both paints. If we evaluate the results of chem. surface coating properties, the hot water and alkali resistance of waste PET-based paint was considerably higher than the reference resin.

Journal of Material Cycles and Waste Management published new progress about Abrasion resistance. 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

Jia, Xiaozhou; Liang, Yueyi; Chen, Fang; Liu, Xiaoxia; Wei, Cuijie; Ding, Qing; Chen, Xiangdong; Sun, Dongmei; Wei, Mei published the artcile< HPLC-PDA combined with chemometrics for chemical markers of Paeoniae Radix Alba before and after sulfur-fumigated>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Paeonia catechin albiflorin sulfur fumigation HPLC PDA chemometrics.

To quant. compare the chem. composition of Paeoniae Radix Alba before and after sulfur-fumigated by using HPLC fingerprint and chemometrics, to provide a reference for the quality evaluation of Paeoniae Radix Alba. Establish the fingerprints of 9 batches of white peony and its sulfur-fumigated products, combined with orthogonal partial least squares-discriminant anal. (PLS-DA) to compare the composition differences of white peony before and after sulfur-fumigation. For the quant. anal. of sexual components, differential compounds were identified by UPLC-MS. The contents of gallic acid, catechins, albiflorin, paeoniflorin, 1,2,3,4,6-pentagalloyl glucose and benzoylpaeoniflorin before and after sulfur-fumigation Paeoniae Radix Alba were determined, and there were 6 common peaks in the HPLC fingerprints of Paeoniae Radix Alba before and after sulfur-fumigated. There were 6 common peaks in Paeoniae Radix Alba without sulfur-fumigated, and 7 peaks after sulfur-fumigated. The differential compound (peak 7) was proven to be paeoniflorin sulfite. The differential compound was proven to be paeoniflorin sulfite. This method can be used for fingerprint anal. and quant. anal. of different components of Paeoniae Radix Alba and sulfur-fumigated Paeoniae Radix Alba, and can distinguish Paeoniae Radix Alba from sulfur-fumigated Paeoniae Radix Alba.

Results in Chemistry published new progress about Chemometrics. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Armbruster, Michael R.; Grady, Scott F.; Arnatt, Christopher K.; Edwards, James L. published the artcile< Isobaric 4-Plex Tagging for Absolute Quantitation of Biological Acids in Diabetic Urine Using Capillary LC-MS/MS>, Formula: C19H34O2, the main research area is diabetes urine isobaric plex tagging biol acid LC MS.

Isobaric labeling in mass spectrometry enables multiplexed absolute quantitation and high throughput, while minimizing full scan spectral complexity. Here, we use 4-plex isobaric labeling with a fixed pos. charge tag to improve quantitation and throughput for polar carboxylic acid metabolites. The isobaric tag uses an isotope-encoded neutral loss to create mass-dependent reporters spaced 2 Da apart and was validated for both single- and double-tagged analytes. Tags were synthesized inhouse using deuterated formaldehyde and Me iodide in a total of four steps, producing cost-effective multiplexing. No chromatog. deuterium shifts were observed for single- or double-tagged analytes, producing consistent reporter ratios across each peak. Perfluoropentanoic acid was added to the sample to drastically increase retention of double-tagged analytes on a C18 column. Excess tag was scavenged and extracted using hexadecyl chloroformate after reaction completion. This allowed for removal of excess tag that typically causes ion suppression and column overloading. A total of 54 organic acids were investigated, producing an average linearity of 0.993, retention time relative standard deviation (RSD) of 0.58%, and intensity RSD of 12.1%. This method was used for absolute quantitation of acid metabolites comparing control and type 1 diabetic urine. Absolute quantitation of organic acids was achieved by using one isobaric lane for standards, thereby allowing for anal. of six urine samples in two injections. Quantified acids showed good agreement with previous work, and six significant changes were found. Overall, this method demonstrated 4-plex absolute quantitation of acids in a complex biol. sample.

ACS Measurement Science Au published new progress about Acids Role: BUU (Biological Use, Unclassified), BIOL (Biological Study), USES (Uses). 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

Kisel, V. M.; Kovtunenko, V. A. published the artcile< Synthesis of functionalized 2,5-ethano-2-benzazepines>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is ethanobenzazepine preparation.

The title compounds were prepared by cyclization of 2-NCCH2C6H4CH2N(CH2CH2Cl)2 using NaH in DMF.

Chemistry of Heterocyclic Compounds (New York)(Translation of Khimiya Geterotsiklicheskikh Soedinenii) published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Xue, Guiren; Su, Shanshan; Yan, Pengfei; Shang, Jiawei; Wang, Jianxin; Yan, Chengye; Li, Jiaxi; Wang, Qiao; Xiong, Xue; Xu, Huijun published the artcile< Integrative analyses of widely targeted metabolomic profiling and derivatization-based LC-MS/MS reveals metabolic changes of Zingiberis Rhizoma and its processed products>, Application of C19H34O2, the main research area is metabolomic profiling Zingiberis Rhizoma; Chemical derivatization; Differentiate; Processed products; Widely targeted metabolomic analysis; Zingiberis Rhizoma.

Zingiberis Rhizoma (ZR) has nutritional value and application potentiality, while Zingiberis Rhizoma Praeparatum (ZRP) and Carbonised Ginger (CG) are two main processed products of ZR based on different methods. Here, we performed a widely targeted metabolomics method with Sequential Windowed Acquisition of all Theor. fragment ions (SWATH) mode to analyze differential metabolites in ZR, ZRP and CG. Addnl., the chem. derivatization was applied to characterize different submetabolomes and improve the separation effect and MS response of metabolites. In total, 369 metabolites were identified and divided into 14 categories, 104 of which were differential metabolites. Our results suggest that carbohydrates, nucleotides, organic acids, vitamins, lipids, indoles, alkaloids, and terpenes contributed to a downward trend after processing, but the maximum content of flavanones, phenylpropanes and polyphenols appeared in ZRP, and that of alcs. appeared in CG. These findings serve as promising perspectives for developing functional food in ZR, ZRP and CG.

Food Chemistry published new progress about Metabolomics. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

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

Yayli, Nurettin; Oksuz, Enes; Korkmaz, Busra; Erik, Ishak; Fandakli, Seda; Faiz, Ozlem; Coskuncelebi, Kamil published the artcile< Volatile and phenolic contents, antimicrobial and tyrosinase activities of two endemic species Scorzonera pisidica and Scorzonera sandrasica L. grown in Turkey>, Application of C19H34O2, the main research area is Scorzonera pisidica volatile compound phenol tyrosinase.

Phytochem. anal. of two endemic Scorzonera pisidica Hub.-Mor. and Scorzonera sandrasica Hartvig & Strid species have not been mentioned before. In this work, volatile organic compounds, phenolic contents, antimicrobial, and tyrosinase inhibition activities of two endemic S. pisidica and S. sandrasica grown in Turkey were investigated. Aldehydes were the primary chem. class for the volatile organic compounds in the essential oils (EOs, 49.5%, and 44.9%) and SPME (85.8% and 56.9%) of S. pisidica and S. sandrasica, and aromatic compounds were the main class for the SPME of the n-hexane extracts of S. pisidica (86.9%) and S. sandrasica (86.3%), resp. The phenolic constituent anal. for the methanol extract of S. pisidica and S. sandrasica gave gallic acid (6.33 mg/g and 2.63 mg/g) as the primary compound The antimicrobial activity of the EOs and solvent extract (methanol and n-hexane) of S. pisidica and S. sandrasica were tested against nine microorganisms. Furthermore, the inhibitory potential for the methanol extract of the S. pisidica and S. sandrasica showed tyrosinase activity, and IC50values were found as 0.495 �0073 渭g/mL and 0.699 �0.86 渭g/mL, resp.

Records of Natural Products published new progress about Acids Role: BSU (Biological Study, Unclassified), PRP (Properties), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

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

Pasquier, Benoit; El-Ahmad, Youssef; Filoche-Romme, Bruno; Dureuil, Christine; Fassy, Florence; Abecassis, Pierre-Yves; Mathieu, Magali; Bertrand, Thomas; Benard, Tsiala; Barriere, Cedric; El Batti, Samira; Letallec, Jean-Philippe; Sonnefraud, Veronique; Brollo, Maurice; Delbarre, Laurence; Loyau, Veronique; Pilorge, Fabienne; Bertin, Luc; Richepin, Patrick; Arigon, Jerome; Labrosse, Jean-Robert; Clement, Jacques; Durand, Florence; Combet, Romain; Perraut, Pierre; Leroy, Vincent; Gay, Frederic; Lefrancois, Dominique; Bretin, Francois; Marquette, Jean-Pierre; Michot, Nadine; Caron, Anne; Castell, Christelle; Schio, Laurent; McCort, Gary; Goulaouic, Helene; Garcia-Echeverria, Carlos; Ronan, Baptiste published the artcile< Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-yl]-1-(3-methyl-2-oxobutyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors>, Category: esters-buliding-blocks, the main research area is dihydropyrimidopyrimidinone preparation phosphoinositide kinase inhibitor antitumor neoplasm.

Vps34 (the human class III phosphoinositide 3-kinase) is a lipid kinase involved in vesicle trafficking and autophagy and therefore constitutes an interesting target for cancer treatment. Because of the lack of specific Vps34 kinase inhibitors, the authors aimed to identify such compounds to further validate the role of this lipid kinase in cancer maintenance and progression. Herein, the authors report the discovery of a series of tetrahydropyrimidopyrimidinone derivatives Starting with hit compound I, medicinal chem. optimization led to compound 31. This mol. displays potent activity, an exquisite selectivity for Vps34 with excellent properties. The x-ray crystal structure of compound II in human Vps34 illustrates how the unique mol. features of the morpholine synthon bestows selectivity against class I PI3Ks. This mol. exhibits suitable in vivo mouse PK parameters and induces a sustained inhibition of Vps34 upon acute administration. Compound II constitutes an optimized Vps34 inhibitor that could be used to investigate human cancer biol.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

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