Month: October 2022

Zhang, Wei; Li, Weiyi; Qin, Song published the artcile< Origins of enantioselectivity in the chiral diphosphine-ligated CuH-catalyzed asymmetric hydrosilylation of ketones>, COA of Formula: C19H34O2, the main research area is chiral diphosphine copper hydride catalyzed asym hydrosilylation acetophenone DFT; optimized geometry copper hydride catalyzed asym hydrosilylation acetophenone DFT; silyl ether preparation.

Computational studies on the asym. hydrosilylation of acetophenone over ligated CuH catalysts were performed with the DFT method. The calculations predict that the catalytic reaction involves two steps: (1) CuH addition to the carbonyl group via a four-membered transition state (TS) with the formation of Cu-alkoxide intermediates; (2) regeneration of the ligated CuH catalyst by an external SiH4 through a metathesis process to yield the corresponding silyl ether. The calculations in the chiral diphosphine-ligated CuH systems suggest that the metathesis process is the rate-determining step (RDS). The CuH addition step is vital for the distribution of the racemic products and therefore represents the stereo-controlling step (SCT). In this step, the greater steric hindrance between the aromatic rings of the ligands and the substrate is identified as the major factor for enantioselectivity. The corresponding TS in the face-to-face mode, suffering less steric hindrance, is more stable than its analog in the edge-to-face mode. The enantioselectivities are related not only to the P-Cu-P bite angles in the stereo-controlling TSs, but also to the substituents at the P-aryl rings of the chiral ligands. In short, a larger P-Cu-P bite angle and suitably modified P-aryl rings together are necessary to achieve excellent ee values.

Organic & Biomolecular Chemistry published new progress about Activation energy. 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

Crittall, MatthewR.; Rzepa, Henry S.; Carbery, David R. published the artcile< Design, Synthesis, and Evaluation of a Helicenoidal DMAP Lewis Base Catalyst>, Computed Properties of 112-63-0, the main research area is helical dimethylaminopyridine analog preparation Lewis base catalyst enantioselective esterification; alc benzylic secondary enantioselective esterification anhydride kinetic resolution.

The design, synthesis, and study of helical dialkylaminopyridine Lewis base catalysts (P)-I and (M)-I is reported. These catalysts displayed good to excellent levels of selectivity (S ≤ 116) in the kinetic resolution of chiral secondary alcs. R1CH(OH)R2 (R1 = Ph, R2 = Me, Et, t-Bu; R1 = 4-FC6H4, 2-MeC6H4, 2-naphthyl, 9-anthryl, etc., R2 = Me). Catalysts I displayed excellent reactivity with exceptionally low loadings of 0.05 mol.% effecting practical levels of selectivity in kinetic resolutions

Organic Letters published new progress about Aralkyl alcohols Role: PUR (Purification or Recovery), RCT (Reactant), SPN (Synthetic Preparation), PREP (Preparation), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

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

Hunter, James H.; Prendergast, Lisa; Valente, Louis F.; Madin, Andrew; Pairaudeau, Garry; Waring, Michael J. published the artcile< High Fidelity Suzuki-Miyaura Coupling for the Synthesis of DNA Encoded Libraries Enabled by Micelle Forming Surfactants>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is DNA encoded biaryl library preparation micelle surfactant Suzuki coupling.

DNA encoded chem. libraries provide a highly efficient means of screening vast numbers of small mols. against an immobilized protein target. Their potential is currently restricted by the constraints of carrying out library synthesis in the presence of attached DNA tags, for which a limited number of reactions and substrates can be used. Even established reactions, such as Suzuki-Miyaura couplings, do not give efficient coupling reactions across a wide range of substrates and can lead to significant DNA degradation We developed an efficient protocol for carrying out Suzuki-Miyaura couplings on DNA tagged substrates that proceeds with unprecedented efficiency to the desired biaryl products (>98% on average with no detectable DNA degradation) across a wide range of drug-like substrates using a micellar promoted process with com. TPGS-750-M surfactant. We have demonstrated the applicability of this method in DEL synthesis by preparing a prototypical two-dimensional 36-member library employing the Suzuki-Miyaura coupling methodol. as the final library synthesis step. This work shows, for the first time, that standard micellar surfactants can promote reactions for encoded library synthesis, leading to libraries of exceptional fidelity, and demonstrates the potential to expand the range of accessible DNA compatible chem.

Bioconjugate Chemistry published new progress about Arylboronic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Zhang, Zhi; Yuan, Hong published the artcile< An alumina-coated UiO-66 nanocrystalline solid superacid with high acid density as a catalyst for ethyl levulinate synthesis>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is sulfate impregnated zirconia alumina catalyst preparation property; glucose dehydration ethyl levulinate.

The zirconium-containing metal-organic framework (MOF) UiO-66 was used as a cell to synthesize SO42-/ZrO2@Al2O3, a high-d. superacid with relatively strong Bronsted acidity. The UiO-66 MOF was first coated with alumina to form ZrO2@Al2O3. Impregnation with ammonium sulfate and calcination at 500°C afforded the bimetallic composite solid superacid SO42-/ZrO2@Al2O3. RESULTS : Scanning and transmission electron microscopy images confirmed that UiO-66 was successfully coated with aluminum oxide, and its octahedral structure and uniform size (400-600 nm) were retained. SO42-/ZrO2@Al2O3 had a Brunauer-Emmett-Teller sp. surface area of 301-330 m2 g-1 and average pore diameter of 9.6-10.7 nm. XPS and Fourier transform IR anal. showed that SO42-/ZrO2@Al2O3 contained S6+ and Al3+. Temperature-programmed ammonia desorption anal. showed that SO42-/ZrO2@Al2O3 contained super-strong acid sites. The total volume of desorbed ammonia reached 90-109 cm3 g-1. IR spectra of adsorbed pyridine indicated that SO42-/ZrO2@Al2O3 contained mainly Lewis acid sites and was relatively rich in Bronsted acid sites. Thermogravimetric anal. showed that the thermal stability of SO42-/ZrO2@Al2O3 was high. SO42-/ZrO2@Al2O3-3M (the impregnation concentration of ammonium sulfate was 3 mol L-1) and glucose were used to synthesize Et levulinate (EL) in ethanol. The highest EL yield of 37.5 mol% was obtained after reacting the mixture at 200°C for 5 h. An EL yield of 28.8 mol% was obtained after four consecutive reuses of the SO42-/ZrO2@Al2O3-3M catalyst.

Journal of Chemical Technology and Biotechnology published new progress about Dehydration catalysts. 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

Singh, Vandana; Johansson, Pegah; Lin, Yii-Lih; Hammarsten, Ola; Westerlund, Fredrik published the artcile< Shining light on single-strand lesions caused by the chemotherapy drug bleomycin>, Related Products of 112-63-0, the main research area is bleomycin shining light chemotherapy human; BER inhibition; DNA damage; Damage mechanism of drugs; Fluorescence microscopy; Personalizing chemotherapy; Single molecule imaging; Single-strand breaks.

Quantification of the DNA damage induced by chemotherapy in patient cells may aid in personalization of the dose used. However, assays to evaluate individual patient response to chemotherapy are not available today. Here, we present an assay that quantifies single-stranded lesions caused by the chemotherapeutic drug Bleomycin (BLM) in peripheral blood mononuclear cells (PBMCs) isolated from healthy individuals. We use base excision repair (BER) enzymes to process the DNA damage induced by BLM and then extend the processed sites with fluorescent nucleotides using a DNA polymerase. The fluorescent patches are quantified on single DNA mols. using fluorescence microscopy. Using the assay, we observe a significant variation in the in vitro induced BLM damage and its repair for different individuals. Treatment of the cells with the BER inhibitor CRT0044876 leads to a lower level of repair of BLM-induced damage, indicating the ability of the assay to detect a compromised DNA repair in patients. Overall, the data suggest that our assay could be used to sensitively detect the variation in BLM-induced DNA damage and repair in patients and can potentially be able to aid in personalizing patient doses.

DNA Repair published new progress about Chemotherapy. 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

Mondal, Biswarup; Parhi, Sidharth Sankar; Rangaiah, Gade Pandu; Jana, Amiya K. published the artcile< Nano-catalytic heterogeneous reactive distillation for algal biodiesel production: Multi-objective optimization and heat integration>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is algal biodiesel production reactive distillation optimization heat integration.

This work proposes a novel reactive distillation (RD) column for the production of algal biodiesel by the use of a heterogeneous nano-catalyst, Ca(OCH3)2. The elitist non-dominated sorting genetic algorithm (NSGA-II) is employed to optimize the design of this RD column to maximize biodiesel purity while minimizing total annual cost and CO2 emissions. The optimal point is recommended by a Pareto ranking method, namely, technique for order of preference by similarity to ideal solution (TOPSIS) with entropy information for the weighting of objectives. To improve biodiesel purity, a decanter is proposed to couple with the RD column at the bottom. Subsequently, performance of the optimal RD column is further improved by retrofitting it with the vapor recompression arrangement. In this proposed intensified configuration, a reactive stage is thermally integrated with the reboiler to constitute a side vapor recompressed RD (SVRRD) column. Finally, a comparative study is performed to quantify the performance improvement of the proposed SVRRD column over the conventional RD column. It is found that there is a 34.6% reduction in CO2 emissions with a payback period of 4.54 years for the vapor recompressor. Hence, the proposed SVRRD is attractive with better performance in terms of energetic, environmental and economic perspectives.

Energy Conversion and Management published new progress about Algae (oil). 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, Wande; Wei, Shiqiang; Wang, Wenyao; Qu, Jingping; Wang, Baomin published the artcile< Catalytic asymmetric construction of C-4 alkenyl substituted pyrazolone derivatives bearing multiple stereoelements>, Electric Literature of 112-63-0, the main research area is alkenyl pyrazolone preparation regioselective enantioselective diastereoselective; alkynylnaphthol pyrazolone Michael addition organocatalyst.

An organocatalytic asym. process was reported for the sterically precise construction of C-4 alkenyl substituted pyrazolone derivatives I (R1 = Bn, Me, 1-naphthylmethyl, etc.; R2 = Et, Ph, 2-thienyl, etc.; R3 = H, Br; Ar = Ph, 2-bromophenyl, 2-thienyl, etc.) bearing multiple stereoelements. A series of interesting products featuring the union of a centrally chiral pyrazolone moiety and an axially chiral styrene unit were obtained in high yield with excellent diastereoselectivity and enantioselectivity (up to 99% ee, >20 : 1 dr). The process has the characteristics of mild reaction conditions, simple operation and broad substrate scope. The result of gram-scale reaction indicates that the reaction has good practicability.

Chemical Communications (Cambridge, United Kingdom) published new progress about Diastereoselective synthesis. 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

Salmanroghani, Hassan; Mirvakili, Massoud; Baghbanian, Mahmud; Salmanroghani, Roham; Sanati, Golshid; Yazdian, Pouria published the artcile< Efficacy and tolerability of two quadruple regimens: bismuth, omeprazole, metronidazole with amoxicillin or tetracycline as first-line treatment for eradication of helicobacter Pylori in patients with duodenal ulcer: a randomized clinical trial>, Related Products of 112-63-0, the main research area is .

Aim To evaluate the efficacy and tolerability of tetracycline vs. high-dose amoxicillin in bismuthbased quadruple therapy for Helicobacter pylori(H.pylori) eradication. Methods This randomized, open-label clin. trial included 228 patients with H.pylori infection and duodenal ulcer without a history of H.pylori treatment. Patients were randomly divided into two groups. The amoxicillin group received metronidazole 500mg, bismuth subcitrate 240mg, and amoxicillin 1000mg, all three times a day, plus omeprazole 20 mg twice a day, for 14 days. The tetracycline group received metronidazole 500mg three times a day; bismuth subcitrate240mg and tetracycline HCl 500mg, both four times a day; and omeprazole 20 mg twice a day, for 14 days. Evaluation for compliance and drug-relatedadverse effects were evaluated at the end of two weeks. Eight weeks after the end of treatment, the rate of H.pylori eradication was assessed by the C13urease breath test. Results There were no significant demog. differences between the two groups. Eradication rate was higher with the amoxicillin-containing regimen than the tetracycline-containing regimen: 105/110 (95.51%; 95% confidence interval, 91.5%-99.3%) vs. 88/105 (83.8%; 95% CI, 76.7%-90.8%) by per-protocol anal. (p = 0.005) and 92.9% (95%CI, 88.1%-97.6%) vs. 76.5% (95%CI, 68.7%-84.2%) by intention-to-treat anal. (ITT, p = 0.001). Adverse effects were significant higher in the tetracycline groupthan in the amoxicillin group (65.2% vs. 43.4%; p = 0.001). Conclusion Bismuth-based quadruple therapy including high-dose amoxicillin and metronidazole achieved an acceptable rate of H.pylori infection eradication with good tolerance in patients with duodenal ulcer. This regimen can overcome treatment resistance in areas with high prevalence of metronidazole and clarithromycin resistance.

PLoS One published new progress about 112-63-0. 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

Araujo de Lima, Ludmila; Oliveira Cunha, Pedro Lourenzo; Felicio Calou, Iana Bantim; Tavares Neves, Kelly Rose; Facundo, Heberty Tarso; Socorro de Barros Viana, Glauce published the artcile< Effects of vitamin D (VD3) supplementation on the brain mitochondrial function of male rats, in the 6-OHDA-induced model of Parkinson's disease>, HPLC of Formula: 112-63-0, the main research area is vitamin supplementation brain mitochondrial function OHDA induced Parkinson disease; 6-OHDA-model of PD; Mitochondria; Oxidative stress; VD3; Vitamin D.

Mitochondria dysfunction is an important factor involved in PD pathogenesis. We reported neuroprotective actions of vitamin D (VD3) on a PD model, and now we investigated the VD3 effects on the brain mitochondrial function. We focused on oxygen consumption, respiratory control ratio (RCR), ADP/O ratio, mitochondria swelling, H2O2 production, and SOD activity. Addnl., immunohistochem. assays for the dopamine system markers (TH and DAT) and mitochondrial markers (VDAC1 and Hsp60) were also carried out in the striata. Young adult male Wistar rats (250 g, 2.5 mo age) were anesthetized and subjected to stereotaxic surgery and injection of saline (SO group) or 6-OHDA, into the right striatum. Brain mitochondria were isolated from the groups: sham-operated (SO), 6-OHDA, 6-OHDA pretreated with VD3 for 7, days before the 6-OHDA lesion (6-OHDA+VD3, pre-) or treated with VD3 for 14 days, after the 6-OHDA lesion (6-OHDA+VD3, post-). VD3 prevented decreases in oxygen consumption, RCR, and ADP/O ratio observed after 6-OHDA injury. Noteworthy, a very low (oxygen consumption and RCR) or no improvement (ADP/O) were observed in the 6-OHDA+VD3 post- group. VD3 also prevented the increased mitochondria swelling and H2O2 production and a decrease in SOD activity, resp., in the 6-OHDA injured mitochondria. Also, VD3 supplementation protected the hemiparkinsonian brain from decreases in TH and DAT expressions and decreased the upregulation of mitochondrial markers, as VDAC 1 and Hsp60. In conclusion, VD3 showed neuroprotective actions on brain mitochondria injured by 6-OHDA and should stimulate translational studies focusing on its use as a therapeutic strategy for the treatment of neurodegenerative diseases as PD.

Neurochemistry International published new progress about Brain. 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

Baky, Mostafa H.; Shawky, Enas M.; Elgindi, Mohamed R.; Ibrahim, Haitham A. published the artcile< Comparative Volatile Profiling of Ludwigia stolonifera Aerial Parts and Roots Using VSE-GC-MS/MS and Screening of Antioxidant and Metal Chelation Activities>, Product Details of C19H34O2, the main research area is Ludwigia root antioxidant metal chelation.

Ludwigia stolonifera (Guill. & Perr.) P.H.Raven belonging to the family Onagraceae is an important aquatic herbal plant of economic importance in water bioremediation. We explored the compositional heterogeneity in the aroma profile of L. stolonifera aerial parts and roots. Volatile profiling was employed for the first time using volatile solvent extraction (VSE-GC-MS/MS) of both aerial parts and roots. A total of 85 volatiles were identified belonging to eight classes, viz., aliphatic, aromatic, and oxygenated hydrocarbons, monoterpenes, diterpenes, alcs., acids/esters, and sterols. Aliphatic and aromatic hydrocarbons were found to be the most abundant metabolite groups in both aerial parts and roots. Furthermore, antioxidant and metal chelation activities of aerial parts and roots were investigated, revealing a potent activity as an antioxidant and high metal chelation capacity for heavy metals.

ACS Omega published new progress about Alcohols 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, Product Details of C19H34O2.

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