Category: 112-63-0

Kariofillis, Stavros K.; Jiang, Shutian; Zuranski, Andrzej M.; Gandhi, Shivaani S.; Martinez Alvarado, Jesus I.; Doyle, Abigail G. published the artcile< Using Data Science To Guide Aryl Bromide Substrate Scope Analysis in a Ni/Photoredox-Catalyzed Cross-Coupling with Acetals as Alcohol-Derived Radical Sources>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is arene preparation; aryl halide dialkyl acetal photochem cross coupling nickel catalyst.

Ni/photoredox-catalyzed (deutero)methylation and alkylation of aryl halides RX (R = Ph, Ac, t-Bu, etc.; X = Br, Cl) and benzaldehyde di(alkyl) acetals R1CH(OR2)2 (R1 = Ph, 4-(1H-imidazol-4-yl)benzen-1-yl, 5-tert-butyl-2-chlorophenyl, etc.; R2 = Me, Et, Bn, etc.) that serve as alc.-derived radical sources were reported. Reaction development, mechanistic studies, and late-stage derivatization of a biol. relevant aryl chloride, fenofibrate, are presented. Then, the integration of data science techniques, including DFT featurization, dimensionality reduction, and hierarchical clustering, to delineate a diverse and succinct collection of aryl bromides that is representative of the chem. space of the substrate class was described. By superimposing scope examples from published Ni/photoredox methods on this same chem. space, areas of sparse coverage and high vs. low average yields were identified, enabling comparisons between prior art and this new method. Addnl., it was demonstrated that the systematically selected scope of aryl bromides RBr can be used to quantify population-wide reactivity trends and reveal sources of possible functional group incompatibility with supervised machine learning.

Journal of the American Chemical Society published new progress about Acetals Role: RCT (Reactant), RACT (Reactant or Reagent). 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, Guoqiang; Zong, Xianqing; Sun, Meiling; Sun, Jie; Li, Xuebo published the artcile< Research and development of synthetic process of brominated SBS>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is synthetic process brominated SBS.

Styrene butadiene rubber SBS-4303 was selected as the reaction raw material, and the volume ratio of dichloromethane and methanol was 3.5% in the reactor In a mixed solvent of 5:1; Tetra-Et ammonium tribromide solid was prepared by adding bromine and tetra-Et ammonium bromide with a mass ratio of bromine: tetra-Et ammonium bromide: styrene butadiene rubber of 8:6:3 into water. Dissolve tetra-Et ammonium tribromide into a mixed solvent prepared by dichloromethane and methanol in proportion; The temperature of the reactor is controlled at 10°C, and the above mixed solution of tetra-Et ammonium tribromide is added to the reactor to slowly react with SBS-4303. After dropping, the heat preservation reaction is completed for 3 h, then tin tetrachloride with 2% mass of styrene butadiene rubber is added for catalytic reaction, and the temperature is slowly raised to 39°C, and the heat preservation reaction is continued for 10 h. After the reaction, add sufficient water into the distillation kettle, add TXP-10 dispersed emulsifier according to 3% of the water mass to completely dissolve it, and raise the temperature of the kettle to 90°C. Slowly add the solution after the reaction to the extraction kettle under stirring. While the product is precipitated during the dropping process, the reaction solvent is evaporated from the kettle at the same time, cooled and recycled. After centrifugation, drying and laboratory test, the precipitated products shall be tested according to 1 Dibutyltin maleate was added in the proportion of 5% to improve the thermal stability of the product. Finally, the product was packaged. Circulation and application of centrifugal liquid

Shandong Huagong published new progress about Bromination. 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

Maimulyanti, Askal; Prihadi, Anton Restu published the artcile< Integrated extraction by percolation, distillation, and soxhlet extraction to separate bioactive and bioenergy compounds from spent coffee ground>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is coffee ground caffeine chlorogenic acid percolation distillation soxhlet extraction.

The spent coffee ground has potential compounds applied in food and bioenergy. In this study, an integrated extraction to sep. chem. compounds from the spent coffee ground was designed. Furthermore, the extraction apparatus was combined for percolation, distillation, and Soxhlet extraction The distillation technique produces flavored coffee, Soxhlet extraction separates coffee oil; while percolation produces the coffee extract Anal. of coffee aroma using distillation techniques obtained alpha furfuryl alc. (52.16%), Me pyrazine (15.63%), and 2.6-di-Me paradiazine (9.62%). Anal. of coffee extract using the percolation technique obtained antioxidant compounds with IC50 (56.61μg/mL), polyphenols (1.25 mg/g), caffeine (7.88%), chlorogenic acid (1.25%), and tannins (21.22%). Anal. of coffee oil using the Soxhlet extraction technique obtained Me ester compounds that have the potential for biodiesel such as linoleic acid Me ester (39.90%), palmitic acid Me ester (34.30%), oleic acid Me ester (8.74%), and stearic acid Me ester (8.66%). The integrated extraction has successfully separated many chem. components from spent coffee ground dan it has added value to be applied in food, beverage, pharmaceutical, and bioenergy.

Rasayan Journal of Chemistry published new progress about Antioxidants. 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

Li, Sicong; Li, Xuting; Yuan, Dingsheng; Wang, Bin; Yang, Rui; Zhang, Min; Li, Jinliang; Zeng, Fuqiang published the artcile< Effects of paeoniflorin on the activities and mRNA expression of rat CYP1A2, CYP2C11 and CYP3A1 enzymes in vivo>, Related Products of 112-63-0, the main research area is paeoniflorin mRNA expression cytochrome enzyme invivo study; CYP450; drug-metabolizing enzymes; midazolam; paeoniflorin; phenacetin; tolbutamide.

Paeoniflorin is the major constituent in extracts of the paeony root, the purpose of the present study was to assess the effects of paeoniflorin on the activities and mRNA expression of the rat hepatic drug-metabolizing enzymes cytochrome P 450 (CYP1A2), CYP2C11 and CYP3A1 in vivo. Sprague-Dawley (SD) male rats were treated with paeoniflorin at the dosage of 25, 50 and 100 mg/kg or 0.9% sodium chloride solution by intragastric administration for 7 days, then were given probe drugs phenacetin (CYP1A2), tolbutamide (CYP2C11), or midazolam (CYP3A1) orally on the eighth day. Blood samples were collected at various times, and the plasma concentrations of the probe drugs were estimated with ultra-high-performance liquid chromatog. The mRNA expression levels of rat hepatic CYP1A2, CYP2C11 and CYP3A1 were analyzed with real-time PCR. The pharmacokinetic results indicated that paeoniflorin inhibits the activities of CYP1A2, CYP2C11 and CYP3A1 in vivo. The effect was most pronounced on CYP3A1, according to the United States Food and Drug Administration classification of inhibitors of CYP3A, it reached the category of moderate inhibition. The mRNA expression levels of 3 CYP enzymes were also tended to be inhibited. We conclude that paeoniflorin can inhibit the activities of CYP1A2, CYP2C11 and CYP3A1 in vivo, which may affect the metabolism of drugs that are primarily dependent on these pathways.

Xenobiotica published new progress about Blood plasma. 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

Kanzaki, Chisako; Nakadozono, Takuya; Numata, Munenori published the artcile< Creation of Discrete 1D Microstructures: Directional Dissociation from the Ends of a Metastable Supramolecular Polymer>, Synthetic Route of 112-63-0, the main research area is metastable supramol polymer directional dissociation microstructure.

One major concern in supramol. chem. is how to place different intermol. interactions in a desired position, especially at the terminal ends, of 1D structures. A solution to the problem is co-assembly in microflow. We demonstrate that kinetic co-assembly of two kinds of amphiphilic oligo(p-phenylenevinylene) mols. with different amide groups result in metastable nanofibers where stronger hydrogen-bonding interactions are regularly inserted as stabilizing wedges. It is found that decomposition of the nanofibers from the ends is suppressed at the wedges, leading to the creation of discrete 1D structures with capped ends (length dispersity Lw/Ln≤1.2), which act as a micrometer-sized building blocks that can be used for further hierarchical assembly.

ChemPlusChem published new progress about Hydrogen bond. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

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

Tseng, Yen-Ming; Narayanan, Amal; Mishra, Kaushik; Liu, Xinhao; Joy, Abraham published the artcile< Light-Activated Adhesion and Debonding of Underwater Pressure-Sensitive Adhesives>, Synthetic Route of 112-63-0, the main research area is adhesion debonding underwater pressure adhesive; alkoxyphenacyl; light-activated debonding; polyurethane adhesive; pressure-sensitive adhesives; underwater adhesion.

Pressure-sensitive adhesives (PSAs) such as sticky notes and labels are a ubiquitous part of modern society. PSAs with a wide range of peel adhesion strength are designed by tailoring the bulk and surface properties of the adhesive. However, designing an adhesive with strong initial adhesion but showing an on-demand decrease in adhesion has been an enduring challenge in the design of PSAs. To address this challenge, we designed alkoxyphenacyl-based polyurethane (APPU) PSAs that show a photoactivated increase and decrease in peel strength. With increasing time of light exposure, the failure mode of our PSAs shifted from cohesive to adhesive failure, providing residue-free removal with up to 83% decrease in peel strength. The APPU-PSAs also adhere to substrates submerged underwater and show a similar photoinduced decrease in adhesion strength.

ACS Applied Materials & Interfaces published new progress about Contact angle. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

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

Campbell, Craig D.; Duguet, Nicolas; Gallagher, Katherine A.; Thomson, Jennifer E.; Lindsay, Anita G.; O’Donoghue, AnnMarie C.; Smith, Andrew D. published the artcile< Tandem multi-step synthesis of C-carboxyazlactones promoted by N-heterocyclic carbenes>, HPLC of Formula: 112-63-0, the main research area is azlactone phenoxycarbonyl preparation; oxazolinone phenoxycarbonyl preparation; amino acid anisoyl tandem cyclization coupling chloroformate carboxyl transfer; carbene heterocyclic catalyst amino acid cascade coupling chloroformate.

Cascade reaction sequences incorporating N-heterocyclic carbene-based organocatalysis have been developed that allow the direct preparation of a range of (±)-4-phenoxycarbonylazlactones I (R1 = 4-MeOC6H4; R2 = Me, n-Bu, i-Bu, PhCH2, 4-PhCH2OC6H4CH2) in good isolated yields (66-84%) from the corresponding racemic N-p-anisoyl amino acids II.

Chemical Communications (Cambridge, United Kingdom) published new progress about Amino acids, acyl Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Yang, Mingming; Wang, Chenliang; Zhou, Mi; Bao, Lei; Wang, Yanan; Kumar, Ashwani; Xing, Chao; Luo, Weibo; Wang, Yingfei published the artcile< KDM6B promotes PARthanatos via suppression of O6-methylguanine DNA methyltransferase repair and sustained checkpoint response.>, Electric Literature of 112-63-0, the main research area is .

Poly(ADP-ribose) polymerase-1 (PARP-1) is a DNA damage sensor and contributes to both DNA repair and cell death processes. However, how PARP-1 signaling is regulated to switch its function from DNA repair to cell death remains largely unknown. Here, we found that PARP-1 plays a central role in alkylating agent-induced PARthanatic cancer cell death. Lysine demethylase 6B (KDM6B) was identified as a key regulator of PARthanatos. Loss of KDM6B protein or its demethylase activity conferred cancer cell resistance to PARthanatic cell death in response to alkylating agents. Mechanistically, KDM6B knockout suppressed methylation at the promoter of O6-methylguanine-DNA methyltransferase (MGMT) to enhance MGMT expression and its direct DNA repair function, thereby inhibiting DNA damage-evoked PARP-1 hyperactivation and subsequent cell death. Moreover, KDM6B knockout triggered sustained Chk1 phosphorylation and activated a second XRCC1-dependent repair machinery to fix DNA damage evading from MGMT repair. Inhibition of MGMT or checkpoint response re-sensitized KDM6B deficient cells to PARthanatos induced by alkylating agents. These findings provide new molecular insights into epigenetic regulation of PARP-1 signaling mediating DNA repair or cell death and identify KDM6B as a biomarker for prediction of cancer cell vulnerability to alkylating agent treatment.

Nucleic acids research published new progress about 112-63-0. 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

Geraghty, Benjamin J.; Dasgupta, Archya; Sandhu, Michael; Malik, Nauman; Maralani, Pejman Jabehdar; Detsky, Jay; Tseng, Chia-Lin; Soliman, Hany; Myrehaug, Sten; Husain, Zain; Perry, James; Lau, Angus; Sahgal, Arjun; Czarnota, Gregory J. published the artcile< Predicting survival in patients with glioblastoma using MRI radiomic features extracted from radiation planning volumes>, Computed Properties of 112-63-0, the main research area is glioblastoma MRI radiomic survival patient radiation planning volume; Glioblastoma multiforme (GBM); Magnetic resonance imaging (MRI); Radiomics; Radiotherapy.

Quant. image anal. using pre-operative magnetic resonance imaging (MRI) has been able to predict survival in patients with glioblastoma (GBM). The study explored the role of postoperative radiation (RT) planning MRI-based radiomics to predict the outcomes, with features extracted from the gross tumor volume (GTV) and clin. target volume (CTV). Patients with IDH-wildtype GBM treated with adjuvant RT having MRI as a part of RT planning process were included in the study. 546 features were extracted from each GTV and CTV. A LASSO Cox model was applied, and internal validation was performed using leave-one-out cross-validation with overall survival as endpoint. Cross-validated time-dependent area under curve (AUC) was constructed to test the efficacy of the radiomics model, and clin. features were used to generate a combined model. Anal. was done for the entire group and in individual surgical groups-gross total excision (GTR), subtotal resection (STR), and biopsy. 235 Patients were included in the study with 57, 118, and 60 in the GTR, STR, and biopsy subgroup, resp. Using the radiomics model, binary risk groups were feasible in the entire cohort (p < 0.01) and biopsy group (p = 0.04), but not in the other two surgical groups individually. The integrated AUC (iAUC) was 0.613 for radiomics-based classification in the biopsy subgroup, which improved to 0.632 with the inclusion of clin. features. Imaging features extracted from the GTV and CTV regions can lead to risk-stratification of GBM undergoing biopsy, while the utility in other individual subgroups needs to be further explored. Journal of Neuro-Oncology published new progress about Biomarkers. 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

Liu, Hanwen; Lai, Wei-Hong; Yang, Qiuran; Lei, Yaojie; Wu, Can; Wang, Nana; Wang, Yun-Xiao; Chou, Shu-Lei; Liu, Hua Kun; Dou, Shi Xue published the artcile< Understanding sulfur redox mechanisms in different electrolytes for room-temperature Na-S batteries>, COA of Formula: C19H34O2, the main research area is carbonate ester ether sodium sulfur battery diffusion property; Carbonate ester electrolyte; Ether electrolyte; Room-temperature sodium–sulfur batteries; Sulfur cathode; Sulfur redox reactions.

This work reports influence of two different electrolytes, carbonate ester and ether electrolytes, on the sulfur redox reactions in room-temperature Na-S batteries. Two sulfur cathodes with different S loading ratio and status are investigated. A sulfur-rich composite with most sulfur dispersed on the surface of a carbon host can realize a high loading ratio (72% S). In contrast, a confined sulfur sample can encapsulate S into the pores of the carbon host with a low loading ratio (44% S). In carbonate ester electrolyte, only the sulfur trapped in porous structures is active via ‘solid-solid’ behavior during cycling. The S cathode with high surface sulfur shows poor reversible capacity because of the severe side reactions between the surface polysulfides and the carbonate ester solvents. To improve the capacity of the sulfurrich cathode, ether electrolyte with NaNO3 additive is explored to realize a ‘solid-liquid’ sulfur redox process and confine the shuttle effect of the dissolved polysulfides. As a result, the sulfur-rich cathode achieved high reversible capacity (483 mAh g-1), corresponding to a specific energy of 362 Wh kg-1 after 200 cycles, shedding light on the use of ether electrolyte for high-loading sulfur cathode.

Nano-Micro Letters published new progress about Binding 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