Category: 112-63-0

Zhu, Jingke; Chen, Dezhao; Pan, Fenghua; Luo, Youshou published the artcile< Artificial neural system prediction of aryl fluoride yields in nucleophilic fluorinations>, Related Products of 112-63-0, the main research area is artificial neural network prediction aryl fluoride; halogen exchange fluorination reaction computer modeling.

Multilayered Feed-Forward Networks were employed to model on halogen-exchange fluorination reactions and predict the aryl fluoride product yields.

Journal of Fluorine Chemistry published new progress about Computer program (Artificial neural system). 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

Lu, Jinhua; Lin, Shengyou; Lin, Zechen; Lin, Xianlei; Shen, Yuezhong; Su, Jingyang published the artcile< PPM1A as a key target of the application of Jiawei-Maxing-Shigan decoction for the attenuation of radiation-induced epithelial-mesenchymal transition in type II alveolar epithelial cells>, SDS of cas: 112-63-0, the main research area is type II alveolar epithelial cell mesenchymal transition radiation; Jiawei Maxing Shigan decoction PPM1A; Jiawei‑Maxing‑Shigan decoction; Radiation‑induced injury; TGF‑β1/Smad signaling; epithelial‑mesenchymal transition; protein phosphatase Mg2+/Mn2+‑dependent 1A.

Radiation-induced lung tissue injury is an important reason for the limited application of radiotherapy on thoracic malignancies. Previously, we reported that administration of Jiawei-Maxing-Shigan decoction (JMSD) attenuated the radiation-induced epithelial-mesenchymal transition (EMT) in alveolar epithelial cells (AECs) via TGF-β/Smad signaling. The present study aimed to examine the role of protein phosphatase Mg2+/Mn2+-dependent 1A (PPM1A) in the anti-EMT activity of JMSD on AECs. The components in the aqueous extract of JMSD were identified by high-performance liquid chromatog. coupled with electrospray mass spectrometry. Primary rat type II AECs were treated with radiation (60Co γ-ray at 8 Gy) and JMSD-medicated serum. PPM1A was overexpressed and knocked down in the AECs via lentivirus transduction and the effects of JMSD administration on the key proteins related to TGF-β1/Smad signaling were measured by western blotting. It was found that radiation decreased the PPM1A expression in the AECs and JMSD-medicated serum upregulated the PPM1A expressions in the radiation-induced AECs. PPM1A overexpression increased the E-cadherin level but decreased the phosphorylated (p-)Smad2/3, vimentin and α-smooth muscle actin (α-SMA) levels in the AECs. By contrast, the PPM1A knockdown decreased the E-cadherin level and increased the p-Smad2/3, vimentin and α-SMA levels in the AECs and these effects could be blocked by SB431542 (TGF-β1/Smad signaling inhibitor). JMSD administration increased the E-cadherin level and decreased the p-Smad2/3, vimentin and α-SMA levels in the AECs; however, these effects could be blocked by siPPM1A-2. In conclusion, PPM1A is a key target of JMSD administration for the attenuation of the radiation-induced EMT in primary type II AECs via the TGF-β1/Smad pathway.

Molecular Medicine Reports published new progress about Apricot. 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

Ramakrishna, Kankanala; Biswas, Jyoti Prasad; Jana, Sadhan; Achar, Tapas Kumar; Porey, Sandip; Maiti, Debabrata published the artcile< Coordination Assisted Distal C-H Alkylation of Fused Heterocycles>, Application of C19H34O2, the main research area is oxoalkylquinoline regioselective preparation; oxoalkylthiazole benzothiazole benzoxazole regioselective preparation; quinoline allyl alc regioselective alkylation palladium catalyst; C−H activation; alkylation; bifunctional; heterocycles; non-covalent.

Distal C-H bond functionalization of heterocycles remained extremely challenging with covalently attached directing groups (DG). Lack of proper site for DG attachment and inherent catalyst poisoning by heterocycles demand alternate routes for site selective functionalization of their distal C-H bonds. Utilizing non-productive coordinating property to hold the heterocycle into the cavity of a template system in a host-guest manner, we report distal C-H alkylation (C-5 of quinoline and thiazole, C-7 of benzothiazole and benzoxazole) of heterocycles. Upon complexation with heterocyclic substrate, nitrile DG in template directs the metal catalyst towards close vicinity of the specific distal C-H bond of the heterocycles. Our hypothesized pathway has been supported by various X-ray crystallog. characterized intermediates.

Angewandte Chemie, International Edition published new progress about Alkylation. 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

Huang, Zhaoxia; Huang, Jialiang; Luo, Jianbin; Hu, Deng; Yin, Zibin published the artcile< Performance enhancement and emission reduction of a diesel engine fueled with different biodiesel-diesel blending fuel based on the multi-parameter optimization theory>, Category: esters-buliding-blocks, the main research area is diesel engine fuel emission reduction optimization theory.

In this work, the biodiesel-diesel blending fuels (B20, B30 and B40) and pure diesel fuel (B0) were employed to investigate the effects of intake pressure and EGR ratio on the performance and emission characteristics of diesel engine. The 3D model is developed by the AVL-Fire coupled Chemkin code. In addition, an improved chem. kinetics mechanism of 134 species and 475 reactions is employed to simulate the fuel combustion process. The results show that the improved model improves the calculation accuracy and the high intake pressure and oxygen content in biodiesel are beneficial for the improvements of performance and emission characteristics. However, the NO emission increases. On the contrary, the EGR effectively reduces NOx emission. Finally, the performance and emission characteristics of diesel engine are optimized by the orthogonal principal component-optimization method. Moreover, the NOx mass fraction is reduced by 78.6% and the engine power is decreased by 5.60%. Therefore, the reasonable parameter is beneficial for alleviating the conflict between performance and emission characteristics of diesel engine.

Fuel published new progress about Biodiesel fuel. 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

Lv, Zhangming; Shen, Jiayun; Gao, Xuejiao; Ruan, Yonglan; Ling, Jinying; Sun, Rongwei; Dai, Jingya; Fan, Haizhen; Cheng, Xiaolan; Cao, Peng published the artcile< Herbal formula Huangqi Guizhi Wuwu decoction attenuates paclitaxel-related neurotoxicity via inhibition of inflammation and oxidative stress>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Huangqi Guizhi Wuwu neuroprotective agent peripheral neuropathy; Huangqi Guizhi Wuwu decoction; Inflammation; Network pharmacology; Oxidative stress; Paclitaxel; Peripheral neuropathy.

Paclitaxel-induced peripheral neuropathy (PIPN) is a challenging clin. problem during chemotherapy. Our previous work found that herbal formula Huangqi Guizhi Wuwu decoction (HGWD) could reduce oxaliplatin-induced neurotoxicity. However, its effect on PIPN remains unknown. In this study, we aim to investigate the therapeutic effect and the underlying mechanisms of HGWD against PIPN with pharmacol. experiment and network pharmacol. Male Wistar rats were used to establish an animal model of PIPN and treated with different doses of HGWD for 3 wk. Mech. allodynia, thermal hyperalgesia and body weight were measured to evaluate the therapeutic effect of HGWD on PIPN rats. On the day of the sacrifice, blood, DRGs, sciatic nerve, and hind-paw intra-plantar skins were collected to assess neuroprotective effect of HGWD on PIPN. Next, network pharmacol. was performed to decipher the potential active components and mol. mechanisms of HGWD, as were further verified by western blotting analyses in PIPN rats. Finally, the effect of HGWD on the chemotherapeutic activity of paclitaxel was evaluated in vitro and in vivo. In rats with PIPN, HGWD reversed mech. allodynia, thermal hyperalgesia, and ameliorated neuronal damage. Moreover, HGWD significantly increased the level of nerve growth factor, dramatically reduced IL-1β, IL-6, TNF-α levels and oxidative stress. Network pharmacol. anal. revealed 30 active ingredients in HGWD and 158 candidate targets. Integrated pathway anal. identified PI3K/Akt and toll-like receptor as two main pathways responsible for the neuroprotective effect of HGWD. Further exptl. validation demonstrated that HGWD expectedly inhibited the protein expression of TLR4, MyD88, IKKα, and p-NF-κB, and promoted PI3K, p-Akt, Nrf2, and HO-1 level in dorsal root ganglia. Last but not least, HGWD did not interfere with the antitumor activity of paclitaxel both in in vitro and in vivo models. These combined data showed that HGWD could inhibit paclitaxel-evoked inflammatory and oxidative responses in peripheral nervous system viaTLR4/NF-κB and PI3K/Akt-Nrf2 pathways involvement. The neuroprotective property of HGWD on PIPN provides fundamental support to the potential application of HGWD for counteracting the side effects of paclitaxel during chemotherapy.

Chinese Medicine (London, United Kingdom) published new progress about Body weight. 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

Omonov, Tolibjon S.; Patel, Vinay R.; Curtis, Jonathan M. published the artcile< Biobased Thermosets from Epoxidized Linseed Oil and its Methyl Esters>, Application of C19H34O2, the main research area is biobased thermoset epoxidized linseed oil methyl ester.

This work describes a model biobased epoxy thermoset resin incorporating epoxidized linseed oil fatty acid Me esters (ELOMEs) with trimellitic anhydride (TMA) as a curing agent. Unlike epoxidized linseed oil (ELO), ELOME acts as a solvent at moderate temperatures and can dissolve the curing agent. Thermosets were prepared using a range of molar ratios of ELOME, or ELOME/ELO mixtures, to TMA. It was found that the storage moduli and glass-transition temperatures of the resulting thermosets increase with the increasing concentration of the curing agent due to enhanced crosslinking. On the other hand, the dynamic mech. anal. demonstrated that an increase in the curing agent content, especially above the stoichiometric ratios of reactive moieties, hinders the formation of the crosslinked network when an excessive amount of TMA esters of ELOME are formed. These consume a large proportion of the available epoxy moieties and consequently limit further crosslinking and polymer network growth. The glass-transition temperature (Tg) of these resins was between 80 and 86°C, depending on the stoichiometric ratio of the reactive moieties. In thermoset systems prepared with ELOME/ELO mixtures, an improvement in the thermomech. properties (increase of Tg up to 102°C) was observed, which was associated with the increase in crosslinking d. resulting from the branched triacylglycerol structure of epoxidized linseed oil.

ACS Applied Polymer Materials published new progress about Complex modulus, tan δ. 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

Borer, Benedict; Kleyer, Hannah; Or, Dani published the artcile< Primary carbon sources and self-induced metabolic landscapes shape community structure in soil bacterial hotspots>, Application In Synthesis of 112-63-0, the main research area is soil carbon bacteria metabolism rhizosphere.

Direct observations of the complex and highly dynamic metabolic landscapes that affect the structure and functioning of bacterial communities in natural soil are limited by soil opacity and pore space complexity. In this study, we employ community metabolic network models to predict how the emerging bacterial community composition alters its structure and composition as a function of the primary carbon source in both well-mixed and spatially explicit systems. We provide systematic, exptl. validation using a synthetic community comprised of four bacterial species grown on prescribed carbon sources and quantify their abundance using qPCR. Results suggest that community members may benefit from trophic interactions or suffer from increased competitive stress depending on the carbon source. The modeling is expanded to consider interactions in soil-like spatial context. Results show emergence of distinct bacterial community compositions as a function of primary carbon sources typical to soil hotspots (carbohydrates or organic acids). The ability to link genetic information with bacterial community trophic interactions in representative soil environments is a critical first step towards attaining predictability of soil ecol. functioning.

Soil Biology & Biochemistry published new progress about Bacillus subtilis. 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

Yang, Ke; Ma, Zhiyan; Tong, Hong-Xiao; Sun, Xiao-Qiang; Hu, Xiao-Yu; Li, Zheng-Yi published the artcile< Asymmetric Michael addition reactions catalyzed by a novel upper-rim functionalized calix[4]squaramide organocatalyst>, Related Products of 112-63-0, the main research area is chromenone preparation enantioselective; unsaturated carbonyl dicarbonyl Michael calixsquaramide organocatalyst; nitroalkane preparation enantioselective; aryl nitroolefin acetylacetone Michael calixsquaramide organocatalyst.

A novel upper-rim functionalized calix[4]squaramide organocatalyst bearing bis-squaramide and cyclohexanediamine scaffolds was designed and prepared to catalyze a serial of asym. Michael addition of 1,3-dicarbonyl compounds to α,β-unsaturated carbonyl compounds to afford chromenones, e.g., I in high yields (up to 99%) and good to excellent enantiomeric excesses (up to 99% ee). This method was also used for the synthesis of nitroalkanes II [R1 = Ph, 4-MeC6H4, 4-ClC6H4, etc.] via reaction of aryl nitroolefins with acetylacetone. The comparative experiments indicated that the cooperative effect between calixarenes cavitives and chiral catalytic centers on this calix[4]squaramide catalyst could promote these reactions.

Chinese Chemical Letters published new progress about 1,3-Dicarbonyl compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Nishiumi, Hideo; Kodama, Daisuke published the artcile< Prediction of CO2 solubility in glymes and ionic liquids using modified generalized BWR EoS>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is carbon dioxide glyme ionic liquid solubility dipole moment.

Glymes or ionic liquids are considered excellent solvents for carbon capture because they are insoluble in the gas phase during CO2 recovery. Hence, it is beneficial to predict the solubility of CO2 in these solvents to plan appropriate experiments for achieving carbon neutrality. In this study, Joback’s simple group contribution method (Joback and Reid, Chem. Eng. Commun. 57 (1987) 233-243) was used to predict the effectivity of ionic liquids or glymes toward CO2 dissolution Using this method, the fundamental and critical properties, such as critical temperature, critical pressure, critical molar volume, and acentric factor, were predicted. A binary interaction parameter, mij, which is necessary for calculating the solubility of CO2 in glyme or an ionic liquid, was also predicted using the critical volume ratio, Vc,i/Vc,CO2. Using the modified generalized BWR EoS, the value was best fitted at approx. 300 and 370 K. In general, the method proposed was effective in predicting the amount of CO2 that will dissolve in an unknown ionic liquid, which is essential for achieving carbon neutrality.

Fluid Phase Equilibria published new progress about Density. 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

Morano, Federica; Raimondi, Alessandra; Pagani, Filippo; Lonardi, Sara; Salvatore, Lisa; Cremolini, Chiara; Murgioni, Sabina; Randon, Giovanni; Palermo, Federica; Antonuzzo, Lorenzo; Pella, Nicoletta; Racca, Patrizia; Prisciandaro, Michele; Niger, Monica; Corti, Francesca; Bergamo, Francesca; Zaniboni, Alberto; Ratti, Margherita; Palazzo, Michele; Cagnazzo, Celeste; Calegari, Maria Alessandra; Marmorino, Federica; Capone, Iolanda; Conca, Elena; Busico, Adele; Brich, Silvia; Tamborini, Elena; Perrone, Federica; Di Maio, Massimo; Milione, Massimo; Di Bartolomeo, Maria; de Braud, Filippo; Pietrantonio, Filippo published the artcile< Temozolomide Followed by Combination With Low-Dose Ipilimumab and Nivolumab in Patients With Microsatellite-Stable, O6-Methylguanine-DNA Methyltransferase-Silenced Metastatic Colorectal Cancer: The MAYA Trial>, Quality Control of 112-63-0, the main research area is .

This is a multicenter, single-arm phase II trial evaluating the efficacy and safety of an immune-sensitizing strategy with temozolomide priming followed by a combination of low-dose ipilimumab and nivolumab in patients with microsatellite-stable (MSS) and O6-methylguanine-DNA methyltransferase (MGMT)-silenced metastatic colorectal cancer (mCRC). Patients with pretreated mCRC were centrally prescreened for MSS status and MGMT silencing (ie, lack of MGMT expression by immunohistochem. plus MGMT methylation by pyrosequencing). Eligible patients received two priming cycles of oral temozolomide 150 mg/sqm once daily, days 1-5, once every 4 wk (first treatment part) followed, in absence of progression, by its combination with ipilimumab 1 mg/kg once every 8 wk and nivolumab 480 mg once every 4 wk (second treatment part). The primary end point was the 8-mo progression-free survival (PFS) rate calculated from enrollment in patients who started the second treatment part, with ≥ 4 out of 27 subjects progression-free by the 8-mo time point as decision rule. Among 716 prescreened patients, 204 (29%) were molecularly eligible and 135 started the first treatment part. Among these, 102 (76%) were discontinued because of death or disease progression on temozolomide priming, whereas 33 patients (24%) who achieved disease control started the second treatment part and represented the final study population. After a median follow-up of 23.1 mo (interquartile range, 14.9-24.6 mo), 8-mo PFS rate was 36%. Median PFS and overall survival were 7.0 and 18.4 mo, resp., and overall response rate was 45%. Grade 3-4 immune-related adverse events were skin rash (6%), colitis (3%), and hypophysitis (3%). No unexpected adverse events or treatment-related deaths were reported. The MAYA study provided proof-of-concept that a sequence of temozolomide priming followed by a combination of low-dose ipilimumab and nivolumab may induce durable clin. benefit in MSS and MGMT-silenced mCRC.

Journal of Clinical Oncology published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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