Category: 112-63-0

Aru, Violetta; Nittnaus, Andreas Paul; Soerensen, Klavs Martin; Toldam-Andersen, Torben Bo; Engelsen, Soeren Balling published the artcile< Effects of Water Stress, Defoliation and Crop Thinning on Vitis vinifera L. cv. Solaris Must and Wine Part II: 1H NMR Metabolomics>, Electric Literature of 112-63-0, the main research area is metabolomics water stress defoliation NMR spectroscopy Vitis wine; 1H NMR; FT-IR; Solaris; Vitis vinifera; WineScan; crop thinning; defoliation; grapevine; metabolomics; tyrosol; water deficit.

Proton NMR (1H NMR) metabolomics was employed to investigate the impact of water deficit, defoliation, and crop thinning on the chem. composition of must and wines from the cool-climate white grape variety Solaris. The obtained results show that viticultural practices (defoliation and crop thinning) affected the amino acid and sugar content of Solaris must and thereby the quality of the final wine-mainly in terms of compounds normally related to fruity aroma (i.e., isopentanol), non-sugar sweetness (i.e., proline and glycerol), and alc. content. The content of tyrosol, a natural phenolic antioxidant with a high bioavailability, was increased in the final wine by a combination of defoliation and crop thinning. The results of the metabolomics anal. performed on the must and wine samples from the water stress experiment showed that short-term water deficit significantly affected the concentration of several flavor-related compounds, including glutamate, butyrate and propanol, of the organic acids lactate and fumarate, and of the phenolic compounds caffeic acid and p-coumaric acid. ANOVA simultaneous component anal. showed that the effect of water deficit accounted for 11% (p < 0.001) and 8% (p < 0.001) of the variability in the metabolite concentrations in must and wines, resp., while viticultural practices accounted for 38% (p < 0.001) and 30% (p < 0.001) of the metabolite variability in must and wines, resp. Metabolites published new progress about Bioavailability. 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

Wei, Zuojun; Hou, Yaxin; Zhu, Xinmiao; Guo, Liangyu; Liu, Yingxin; Zhang, Anyun published the artcile< Nitrogen-Doped Graphene-Supported Iron Catalyst for Highly Chemoselective Hydrogenation of Nitroarenes>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is nitrogen doped graphene supported iron catalyst preparation; aromatic amine preparation chemoselective; nitroarene hydrogenation nitrogen doped graphene supported iron catalyst.

A nitrogen-doped graphene-supported iron catalyst was used for the first time in hydrogenation of a series of nitroarenes to give the corresponding aromatic amines ArNH2 [Ar = Ph, 4-H2CCNC6H4, 2-Cl-3-pyridyl, etc.] with excellent activity and chemoselectivity under mild reaction conditions. Physicochem. characterization of the catalyst by transmission electron microscopy, X-ray diffraction, XPS and Moessbauer spectroscopy revealed the formation of iron particles with an iron oxide core and a metallic iron shell that were coated by a few layers of nitrogen-doped graphene. The unique structure of FeNx/C in the catalyst proved to contribute to the hydrogenation activity.

ChemCatChem published new progress about Aromatic amines Role: SPN (Synthetic Preparation), PREP (Preparation). 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

Belal, Amany; Elanany, Mohamed A.; Raafat, Mohamed; Hamza, Hanan Taher; Mehany, Ahmed B. M. published the artcile< Calendula officinalis Phytochemicals for the Treatment of Wounds Through Matrix Metalloproteinases-8 and 9 (MMP-8 and MMP-9): In Silico Approach>, Reference of 112-63-0, the main research area is Calendula diabetic foot ulcer wound phytochem MMP8 MMP9.

Diabetic foot ulceration is a common complication of an uncontrolled diabetic regimen and is considered a serious type of wound. Matrix metalloprteinases (MMPs) are the common key enzymes in wound management, overexpression of MMPs can lead to chronic wounds and ulcers. Calendula officinalis extract has established its efficacy in treating wounds in folk medicine. In this research work, we will focus on the chem. constituents of this promising herb and will investigate its abilities to target matrix metalloprteinase-8 (MMP-8) and matrix metalloprteinase-9 (MMP-9) proteins through the usage of computer-aided drug design tools. In the current study, several promising dual inhibitors are identified, such as quercetin, isoquercetin, isorhamnetin, and isorhamnetin 3-O glycoside, they showed to be good inhibitors for both enzyme subtypes with greater docking score energies than RND-336, which has been reported as a selective MMP-9 inhibitor. Binding scores and amino acid interactions in addition to mol. dynamics (MD) will be discussed in detail through this research work.

Natural Product Communications published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

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

Bhadra, Sukalyan; Dzik, Wojciech I.; Goossen, Lukas J. published the artcile< Synthesis of aryl ethers from aromatic carboxylic acids>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is aryl ether preparation; aromatic carboxylate salt tetraalkyl orthosilicate trialkyl borate decarboxylative alkoxylation.

A silver/copper bimetallic catalyst system promotes the decarboxylative Chan-Evans-Lam alkoxylation of ortho-substituted aromatic carboxylate salts with tetraalkyl orthosilicates or trialkyl borates. Non-ortho-substituted carboxylates are alkoxylated via an ortho-C-H-alkoxylation with concomitant cleavage of the carboxylate directing group via protodecarboxylation. This way, meta-substituted carboxylates are converted into para-substituted alkoxyarenes and vice versa. The combined processes provide a convenient synthetic entry to the important class of aromatic ethers from widely available carboxylic acids.

Synthesis published new progress about Alkoxylation. 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

Senthilkumar, Srinivasan; Sankaran, Kuyam Rathinavelu published the artcile< Kinetics and mechanistic study of pyridinium hydrobromide perbromide-induced carbon-carbon bond scission>, HPLC of Formula: 112-63-0, the main research area is kinetics mechanistic pyridinium hydrobromide perbromide induced carbon bond scission.

The title investigation shows that pyridinium hydrobromide perbromide (PHPB) induced electron transfer reaction in pentaamminecobalt(III) complexes of α-hydroxy acids [R-CHOH-C=0-O-CoIII(NH3)5]2+(ClO4)2 such as mandelic, lactic and glycolic acids (R = C6H5), (R = CH3) and (R = H). Towards these complexes, PHPB acts as a two equivalent oxidizing agent, yielding CoII and carbon-carbon bond cleavage products. Addition of pyridinium hydrobromide does not affect the rate indicating that PHPB itself is the reactive oxidizing species. The rate decreases with an increase in acetic acid content in the solvent mixture The observed exptl. data have been rationalized in terms of a hydride ion transfer in the rate determining step. This oxidation acts as a diagnostic tool to find out the fraction proceeding by synchronous cleavages of C-H and C-C bonds.

Transition Metal Chemistry (Dordrecht, Netherlands) published new progress about Activation enthalpy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

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

Tong, Ning-Ning; Zhou, Xiao-Yang; Peng, Li-Ping; Liu, Zheng-An; Shu, Qing-Yan published the artcile< A comprehensive study of three species of Paeonia stem and leaf phytochemicals, and their antioxidant activities>, Application In Synthesis of 112-63-0, the main research area is paeoniflorin antioxidant Paeonia; Antioxidant activity; Medicinal plants; Monoterpene glycosides; Paeonia; Paeoniflorin.

Paeonia plants have been widely used as traditional Chinese medicinal materials for more than 2,000 years in the treatment of cardiovascular, extravasated blood and female genital diseases; paeoniflorin and paeonol have been implicated as the plants primary active ingredients. Previous studies have been singularly focused on the chem. constituents and content variation of the Paeonia roots in the advancement of traditional Chinese medicine, with the plants stems and leaves considered useless. This study aims to explore the chem. constituents, content variation, and antioxidant capacity in Paeonia stems and leaves for the future utilization of traditional Chinese medicine, given that current practices of digging and trade endanger Paeonia in the wild. Herein, secondary metabolites from the stems and leaves from six developmental stages of the annual growth cycle of Paeonia ostii T. Hong & J. X. Zhang, P. Hexie, and P. lactiflora Pall. were qual. and quant. analyzed via high-performance liquid chromatog. with a diode array detector (HPLC-DAD) and high-performance liquid chromatog. quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). Antioxidant capacity at each stage was also evaluated by various free radical scavenging assays. A total of 24 metabolites were detected and identified, including 5 monoterpene glycosides, 4 tannins, 5 phenols, 9 flavonoids, and paeonol. Excepting paeonol and the phenols, the levels of each metabolite category were significantly higher in the leaves than the stems during all developmental stages. The paeoniflorin content in the P. ostii leaves was the highest during the first developmental stage and higher than the standards of the Chinese Pharmacopoeia, suggesting it to be the optimal harvesting stage for medicinal uses. Notably, the antioxidant capacity of the leaves was significantly greater than in the stems, particularly for the leaves of P. Hexie. Our study indicates that the leaves of P. Hexie have the potential to be a worthy medicinal substitute to Paeonia roots due to their high monoterpene glycosides, phenols, and flavonoids as well as their strong antioxidant capacity. Further, this study provides a theor. basis for the development and utilization of non-root Paeonia plant sections as medicinal plant resources.

Journal of Ethnopharmacology published new progress about Antioxidant enzymes Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian published the artcile< H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins>, SDS of cas: 112-63-0, the main research area is nitroalkene azido ketone bifunctional chiral amide catalyst Michael addition; azido nitroalkanone preparation diastereoselective enantioselective.

The potency of H-bond donors as the governing factor to tune diastereoselectivity in a highly diastereoselective switchable enantioselective Michael addition of α-azido ketones to nitroolefins was reported. While a newly developed bifunctional tertiary amine, phosphoramide, preferentially afforded syn-adducts, an analogous squaramide catalyst selectively gave anti-adducts. The resulting multifunctional tertiary azides were converted to spiro-pyrrolidines with four continuous stereocenters in a one-pot operation. Mechanistic studies casted light on the control of diastereoselectivity by H-bond donors. While the squaramide-catalyzed reaction proceeded with a transition state with both squaramide N-H bonds binding to an enolate intermediate, an unprecedented model was proposed for the phosphoramide-mediated reaction wherein an amide N-H bond and an alkylammonium ion formed in-situ interacted with nitroolefins, with the enolate stabilized by non-classical C-H···O hydrogen-bonding interactions.

Chemical Science published new progress about Alkanes, nitro Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 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

Catalan, Javier; De Paz, Jose Luis G.; Yanez, Manuel; Elguero, Jose published the artcile< The azoles: a theoretical study>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is MO azole; protonation azole; dipole moment azole; tautomerism azole.

Ab initio calculations were reported for 35 azoles (neutral mols. and protonated azolium salts) based on INDO optimized geometries. Calculated dipole moments agreed with measured values. Protonation sites (most basic N atoms) were determined from calculated protonation energies and N lone pair changes. Linear relations between exptl. aqueous basicity and calculated protonation energies for N-methylazoles and between exptl. aqueous acidity for N-unsubstituted azoles and the charge of the NH H atom, were observed Tautomerism of the triazoles and tetrazoles were discussed.

Chemica Scripta published new progress about Acidity. 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

Auld, Andrew F.; Agizew, Tefera; Mathoma, Anikie; Boyd, Rosanna; Date, Anand; Pals, Sherri L.; Serumola, Christopher; Mathebula, Unami; Alexander, Heather; Ellerbrock, Tedd V.; Rankgoane-Pono, Goabaone; Pono, Pontsho; Shepherd, James C.; Fielding, Katherine; Grant, Alison D.; Finlay, Alyssa published the artcile< Effect of tuberculosis screening and retention interventions on early antiretroviral therapy mortality in Botswana: a stepped-wedge cluster randomized trial>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is efavirenz emtricitabine nevirapine ritonavir antiretroviral agent tuberculosis; Intensified tuberculosis case finding; Mortality; Tuberculosis; Xpert MTB/RIF.

Undiagnosed tuberculosis (TB) remains the most common cause of HIV-related mortality. Xpert MTB/RIF (Xpert) is being rolled out globally to improve TB diagnostic capacity. However, previous Xpert impact trials have reported that health system weaknesses blunted impact of this improved diagnostic tool. During phased Xpert rollout in Botswana, we evaluated the impact of a package of interventions comprising (1) addnl. support for intensified TB case finding (ICF), (2) active tracing for patients missing clinic appointments to support retention, and (3) Xpert replacing sputum-smear microscopy, on early (6-mo) antiretroviral therapy (ART) mortality. At 22 clinics, ART enrollees > 12 years old were eligible for inclusion in three phases: a retrospective standard of care (SOC), prospective enhanced care (EC), and prospective EC plus Xpert (EC+X) phase. EC and EC+X phases were implemented as a stepped-wedge trial. Participants in the EC phase received SOC plus components 1 (strengthened ICF) and 2 (active tracing) of the intervention package, and participants in the EC+X phase received SOC plus all three intervention package components. Primary and secondary objectives were to compare all-cause 6-mo ART mortality between SOC and EC+X and between EC and EC+X phases, resp. We used adjusted analyses, appropriate for study design, to control for baseline differences in individual-level factors and intra-facility correlation. We enrolled 14,963 eligible patients: 8980 in SOC, 1768 in EC, and 4215 in EC+X phases. Median age of ART enrollees was 35 and 64% were female. Median CD4 cell count was lower in SOC than subsequent phases (184/μL in SOC, 246/μL in EC, and 241/μL in EC+X). By 6 mo of ART, 461 (5.3%) of SOC, 54 (3.2%) of EC, and 121 (3.0%) of EC+X enrollees had died. Compared with SOC, 6-mo mortality was lower in the EC+X phase (adjusted hazard ratio, 0.77; 95% confidence interval, 0.61-0.97, p = 0.029). Compared with EC enrollees, 6-mo mortality was similar among EC+X enrollees. Interventions to strengthen ICF and retention were associated with lower early ART mortality. This new evidence highlights the need to strengthen ICF and retention in many similar settings. Similar to other trials, no addnl. mortality benefit of replacing sputum-smear microscopy with Xpert was observed

BMC Medicine published new progress about Antiviral agents. 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

Ling, Kenneth B.; Smith, Andrew D. published the artcile< α-Aroyloxyaldehydes: scope and limitations as alternatives to α-haloaldehydes for NHC-catalyzed redox transformations>, SDS of cas: 112-63-0, the main research area is alpha aryloxyaldehyde NHC catalyst redox esterification cycloaddition.

α-Aroyloxyaldehydes are readily prepared bench stable synthetic intermediates. Their ability to act as α-haloaldehyde surrogates for NHC-promoted redox esterifications and in [4+2] cycloadditions is described.

Chemical Communications (Cambridge, United Kingdom) published new progress about [4+2] Cycloaddition reaction. 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