Category: 112-63-0

Nguyen, L. H. B.; Picard, T.; Sergent, N.; Raynaud, C.; Filhol, J.-S.; Doublet, M.-L. published the artcile< Investigation of alkali and alkaline earth solvation structures in tetraglyme solvent>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is alkali alk earth ion solvation tetraglyme solvent DFT functional.

This study compares mol. calculations performed with mol. and periodic codes through an investigation of the solvation structures of alkali and alk. earth metal ions in tetraglyme solution The two codes are able to produce equivalent structural and energetic information at the same level of theory, and in the presence of the implicit solvation model or not. This comparison reveals that mol. optimizations can be performed with periodic codes and used directly as input models for interface or electrochem. calculations in order to preserve the solvent-solute interaction and the cavitation energy. By a rigorous comparison, we have demonstrated that equivalent energetic values can be obtained with the conventional PBE-D3 and the newly developed SCAN-rVV10 functionals. Nevertheless, as far as the vibrational features are concerned and when the mol. possesses a highly conjugated system, the SCAN-rVV10 functional is required to describe the vibrational modes properly. The computed IR/Raman spectra can thus be used as essential information to determine the first solvation shell of metal ions in glyme-based solutions In tetraglyme solution, the alkali and alk. earth metal ions exhibit a diverse solvation structure. Small ions like Li+ and Mg2+ tend to adopt a coordination number of five or six, while larger ions, Na+, K+, and Ca2+, prefer an eight-coordinated environment, and the metal-ligand interaction increases in the order K+-O < Na+-O < Li+-O < Ca2+-O < Mg2+-O. The solvation spheres play a significant role in the stability and the reactivity of the solvated ions, and can thus be used as input models to construct the solvation structure in more sophisticated electrolytes, such as polyethylene oxide, or perform electrochem. calculations Physical Chemistry Chemical Physics published new progress about Alkali metal ions. 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

Wang, Jun-lin; Hu, Ling-ling; Cai, Zeng-xuan; Li, Jin; Ren, Yi-ping published the artcile< Comparison and assessment of aflatoxins determination by ultra-pressure liquid chromatography>, Synthetic Route of 112-63-0, the main research area is UPLC trifluoroacetic acid aflatoxin purification food analysis contamination.

Objective: To compare and evaluate several methods for determination of aflatoxins by ultra- pressure liquid chromatog. (UPLC) combined with fluorescence detection (FLD). Methods: Samples were extracted by homogeneity (vortex) and ultrasound-assisted liquid-liquid extraction, and purified by immunoaffinity column and multifunctional column. Then the analytes were analyzed by UPLC-FLD with trifluoroacetic acid (TFA) pre-column derivation, photochem. post column derivation, iodine and bromine post column derivation, large volume flow cell and photochem. post column derivation tandem large volume flow cell. Results: The results showed each method was satisfying, and each method could fulfill the inspection requirements of common samples. Conclusion: The method of UPLC combined with fluorescence detector and large volume flow cell had the highest sensitivity among these methods. This method could not only raise the work efficiency, but also reduce a lot of poisonous and harmful organic solvent. Meanwhile, the method successfully fulfilled the min. limiting level requests according to the GB 2761-2011. Both acetonitnle aqueous solution and methanol aqueous solution could extract the aflatoxins from samples successfully. And the cleanup effect of immunoaffinity column achieved better results than that of multifunctional column.

Shipin Anquan Zhiliang Jiance Xuebao published new progress about Corn. 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

Chen, Ruonan; Shen, Chenlin; Xu, Qingqing; Liu, Yaru; Li, Bo; Huang, Cheng; Ma, Taotao; Meng, Xiaoming; Wu, Maomao; Li, Jun published the artcile< The permeability characteristics and interaction of main components from Si-Ni-San in a MDCK epithelial cell monolayer model>, Category: esters-buliding-blocks, the main research area is SiNiSan permeability main component interaction MDCK monolayer epithelial cell; MDCK cell; MRP2; P-gp; Si-Ni-San; efflux; tight junctions.

Si-Ni-San (SNS) possesses extensive therapeutic effects, however, the extent to which main components are absorbed and the mechanisms involved are controversial. In this study, MDCK cell model was used to determine the permeability characteristics and interaction between the major components of Si-Ni-San, including saikosaponin a, paeoniflorin, naringin and glycyrrhizic acid. The transport of the major components was concentration-dependent in both directions. Moreover, the transport of paeoniflorin, naringin and glycyrrhizic acid was significantly reduced at 4°C or in the presence of NaN3. Addnl., the efflux of paeoniflorin and naringin were apparently reduced in the presence of P-gp inhibitor verapamil. The transport of glycyrrhizic acid was clearly inhibited by the inhibitors of MRP2, indicating that MRP2 may be involved in the transport of glycyrrhizic acid. However, the results indicated that saikosaponin a was absorbed mainly by passive diffusion. Furthermore, the combined incubation of four major components had a powerful sorbefacient effect than a single drug used alone which may be regulated by tight junctions. Taken together, our study provides useful information for pharmacol. applications of Si-Ni-San and offers new insights into this ancient decoction for further researches, especially in drug synergism.

Xenobiotica published new progress about Absorption. 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

Yoon, Chong-Bok; Shim, Hong-Ku published the artcile< New second-order nonlinear optical (NLO) epoxy polymer treated by sol-gel processing>, Electric Literature of 112-63-0, the main research area is nonlinear optical epoxy resin preparation.

The authors have demonstrated a novel approach to achieve a stable second-order NLO polymer by incorporating NLO moieties into a processable epoxy polymer and hardening with crosslinkable sol-gel technique. The crosslinked polymer showed high nonlinearity (d33 = 41 pm/V) and better thermal stability compared to the prepolymer, which maintained its nonlinearity up to 100° without significant loss of NLO activity.

Macromolecular Chemistry and Physics published new progress about Epoxy resins Role: PRP (Properties), SPN (Synthetic Preparation), TEM (Technical or Engineered Material Use), PREP (Preparation), USES (Uses). 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

Fattore, Luigi; Malpicci, Debora; Milite, Ciro; Castellano, Sabrina; Sbardella, Gianluca; Botti, Gerardo; Ascierto, Paolo A.; Mancini, Rita; Ciliberto, Gennaro published the artcile< Reverse transcriptase inhibition potentiates target therapy in BRAF-mutant melanomas: effects on cell proliferation, apoptosis, DNA-damage, ROS induction and mitochondrial membrane depolarization>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is melanoma BRAF reverse transcriptase target therapy apoptosis DNA damage; DSBs; Drug resistance; Melanoma; Mitochondrial membrane depolarization; Reverse transcriptase inhibitors; Target therapy.

Abstract: Target therapies based on BRAF and MEK inhibitors (MAPKi) have changed the therapeutic landscape for metastatic melanoma patients bearing mutations in the BRAF kinase. However, the emergence of drug resistance imposes the necessity to conceive novel therapeutic strategies capable to achieve a more durable disease control. Their activation can be efficiently controlled with reverse transcriptase inhibitors (RTIs) frequently used in the treatment of AIDS. These drugs have demonstrated anti-proliferative effects in several cancer models, including also metastatic melanoma. However, to our knowledge no previous study investigated the capability of RTIs to mitigate drug resistance to target therapy in BRAF-mutant melanomas. In this short report we show that the non-nucleoside RTI, SPV122 in combination with MAPKi strongly inhibits BRAF-mutant melanoma cell growth, induces apoptosis, and delays the emergence of resistance to target therapy in vitro. Mechanistically, this combination strongly induces DNA double-strand breaks, mitochondrial membrane depolarization and increased ROS levels. Our results shed further light on the mol. activity of RTI in melanoma and pave the way to their use as a novel therapeutic option to improve the efficacy of target therapy. [media not available: see fulltext] Graphical abstract: [graphic not available: see fulltext].

Cell Communication and Signaling published new progress about Apoptosis. 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

Kuwano, Ryoichi; Ikeda, Ryuhei; Hirasada, Kazuki published the artcile< Catalytic asymmetric hydrogenation of quinoline carbocycles: unusual chemoselectivity in the hydrogenation of quinolines>, Application of C19H34O2, the main research area is chiral ruthenium catalyst stereoselective hydrogenation quinoline; tetrahydroquinoline stereoselective preparation.

The reduction of quinolines selectively took place on their carbocyclic rings to give 5,6,7,8-tetrahydroquinolines, when the hydrogenation was conducted in the presence of a Ru(η3-methallyl)2(cod)-PhTRAP catalyst. The chiral ruthenium catalyst converted 8-substituted quinolines into chiral 5,6,7,8-tetrahydroquinolines with up to 91 : 9 er.

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

Karami, Afshin; Hossienpour, Maryam; Mohammadi Noori, Ehsan; Rahpyma, Mehdi; Najafi, Khadijeh; Kiani, Amir published the artcile< Synergistic Effect of Gefitinib and Temozolomide on U87MG Glioblastoma Angiogenesis>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is gefitinib temozolomide glioblastoma angiogenesis synergistic effect.

One of the most common and deadly brain tumors is Glioblastoma multiforme (GBM). Due to recent advances in angiogenesis and its related key factors, this process as a hallmark in glioblastoma has attracted more consideration from the research community. Temozolomide (TMZ) as the first-line treatment used to treat GBM but, resistance to TMZ limits its effectiveness and the need for better treatments is still felt. Therefore, we aimed to examine the Synergistic effects of Gefitinib (GFI) in combination with Temozolomide on VEGF and MMPs in glioma cell line (U87MG). Our results displayed that GFI could induce cytotoxic effects in U87MG with IC50 values of 11 μM. U87MG cells produced large amounts of VEGF without any stimuli, and the results showed that GFI in combination with TMZ caused a significant decrease in VEGF production in these cells. In this study, we demonstrated that after treating with TMZ and GFI, there was more decrease in the levels of MMP 2 and 9 secretions in cells than treatment with GFI and TMZ doses alone. This study indicates synergistic effects of GFI plus TMZ against glioma are mediated by the potentiated anti-angiogenesis. Therefore, it can be considered as a promising plan for future studies.

Nutrition and Cancer published new progress about Angiogenesis. 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

Huang, Huan-Ming; Bellotti, Peter; Erchinger, Johannes E.; Paulisch, Tiffany O.; Glorius, Frank published the artcile< Radical Carbonyl Umpolung Arylation via Dual Catalysis>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is aryl benzoate preparation; aldehyde aryl bromide carbonyl umpolung arylation nickel catalyst photoredox.

A series of aryl benzoates I [R = iPr, tBu, cyclohexyl, etc.; R1 = 4-NCC6H4, 2-NCC6H4, 2-pyridyl, etc.] via dual nickel and photoredox catalyzed radical carbonyl umpolung arylation of aldehydes and aryl bromides was reported. This redox-neutral approach provided a complementary method to construct Grignard-type products from (hetero)aryl bromides and aliphatic aldehydes, without the need for prefunctionalization. Sequential activation, hydrogen atom transfer and halogen atom transfer process could directly converted aldehydes to the corresponding ketyl radicals, which further react with aryl-nickel intermediates in an overall polarity-reversal process. This radical strategy tolerated-among others-acidic functional groups, heteroaryl motifs and sterically hindered substrates and was applied in the late-stage modification of drugs and natural products.

Journal of the American Chemical Society published new progress about Aldehydes Role: 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, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Bezerra, Rita de Cassia de Freitas; Rodrigues, Francisco Eduardo Arruda; Arruda, Tathilene Bezerra Mota Gomes; Moreira, Francisca Belkise de Freitas; Chaves, Pedro Oribio Bastos; Assuncao, Joao Carlos da Costa; Ricardo, Nagila Maria Pontes Silva published the artcile< Babassu-oil-based biolubricant: Chemical characterization and physicochemical behavior as additive to naphthenic lubricant NH-10>, SDS of cas: 112-63-0, the main research area is oil naphthenic lubricant additive physicochem behavior.

In the search of new bioproducts, which could substitute petroleum derivatives and with capability to attend industrial demand, the present research reports the synthesis of babassu-oil-based biolubricant (Orbignya speciosa M), its characterization, and the impact in mineral lubricant properties when the biolubricant was used as additive. The botanical species was submitted to chromatog. anal., and the oil content was predominantly saturated Spectroscopy anal. confirmed the success of the reaction, and the biolubricant consisted of a mixture of mono, di and tri esters of trimethylolpropane. The thermogravimetric behavior of the babassu biolubricant was also studied. The gaseous products evolved during the process were analyzed by IR spectroscopy and the volatilization and combustion process could be described. Blends between babassu biolubricant and mineral basic oil NH-10 were prepared in the proportions of 3, 5 and 10% volume/volume, and physicochem. properties as specific mass, kinematic viscosity at 40 and 100 °C, and flow point were evaluated. For the proportions used in the evaluation, babassu biolubricant could be pointed as a secure additive for mineral oil lubricant NH-10. The characterization of babassu biolubricant, the thermogravimetric behavior, and spectroscopy anal. of the gaseous products evolved, as well as the use as a possible additive and points to a possible use for biolubricants.

Industrial Crops and Products published new progress about Attalea speciosa. 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

Crispino, Gerard A.; Jeong, Kyu Sung; Kolb, Hartmuth C.; Wang, Zhi Min; Xu, Daqiang; Sharpless, K. Barry published the artcile< Improved enantioselectivity in asymmetric dihydroxylations of terminal olefins using pyrimidine ligands>, Synthetic Route of 112-63-0, the main research area is enantioselectivity dihydroxylation olefin pyrimidine ligand; asym dihydroxylation olefin pyrimidine ligand; diol asym synthesis.

A new class of cinchona alkaloid derivatives, 2,5-diphenyl-4,6-bis(9-O-dihydroquinidyl)pyrimidine and its pseudoenantiomer 2,5-diphenyl-4,6-bis(9-O-dihydroquinyl)pyrimidine, was found to give improved enantioselectivity in the osmium catalyzed asym. dihydroxylation of mono-substituted terminal olefins. Mol. modeling and ligand structural variation studies were carried out in an attempt to understand the high enantioselectivities observed

Journal of Organic Chemistry published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 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