Tag: M.W=250-300

Zhang, Bin-Jie; Wang, Yue-Ye; Jia, Cheng-Yan; Li, Su-Su; Wang, Xin-Wei; Xu, Yuan; Chen, A-Yuan; Xu, He-Peng; Wang, Chun; Yang, Zhao-Yi; Wei, Wei; Chang, Yan published the artcile< Paeoniflorin-6'-o-benzene sulfonate ameliorates the progression of adjuvant-induced arthritis by inhibiting the interaction between Ahr and GRK2 of fibroblast-like synoviocytes>, Synthetic Route of 112-63-0, the main research area is CP25 ameliorates adjuvant induced arthritis Ahr GRK2 fibroblast synoviocyte; Adjuvant-induced arthritis; Aryl hydrocarbon receptor; CP-25; Fibroblasts like synoviocyte; G protein-coupled receptor kinase 2; Rheumatoid arthritis.

Aryl hydrocarbon receptor (Ahr) is thought to be a crucial factor that regulates immune responses, which may be involved in the pathogenesis of autoimmune inflammation including rheumatoid arthritis (RA). The results of our group in recent years have shown that Paeoniflorin-6′-O-benzene sulfonate (code: CP-25), a novel ester derivative of paeoniflorin, has a good effect on improving RA animal models. However, whether the anti-arthritis effect of CP-25 is related to Ahr remains unclear. Here, we showed that CP-25 treatment ameliorated adjuvant-induced arthritis (AA), a rat model of RA, by inhibiting Ahr-related activities in fibroblasts like synoviocytes (FLS). AA rats were treated with CP-25 or paroxetine from days 17 to 33 after immunization. We showed that CP-25 alleviated arthritis symptoms and the pathol. changes. Treatment with CP-25 decreased the expression of Ahr in the synovium of AA rats. CP-25 inhibited the expression of Ahr and the G protein-coupled receptor kinase 2 (GRK2) as well as the co-expression of GRK2 with Ahr in FLS of AA rats. Furthermore, CP-25 down-regulated the production of Kyn in FLS of AA rats. These results suggested that CP-25 may inhibit the expression and activation of Ahr. Besides, treatment with CP-25 reduced the proliferation and migration of MH7A caused by Ahr activation. In addition, we also demonstrated that CP-25 down-regulated the total and nuclear expression of Ahr and the expression of GRK2 in Kyn-treated MH7A. Moreover, the co-expression and co-localization of Ahr and GRK2in Kyn-treated MH7A were also repressed by CP-25. The data presented here demonstrated that CP-25 suppressed FLS dysfunction in rats with AA, which were associated with reduced Ahr activation and the interaction between Ahr and GRK2.

International Immunopharmacology published new progress about Adjuvant arthritis. 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

Zhou, Xuan; Khetan, Abhishek; Er, Sueleyman published the artcile< Evaluation of Computational Chemistry Methods for Predicting Redox Potentials of Quinone-Based Cathodes for Li-Ion Batteries>, Related Products of 112-63-0, the main research area is quinone cathode lithium ion battery redox potential computational chem.

High-throughput computational screening (HTCS) is an effective tool to accelerate the discovery of active materials for Li-ion batteries. For the evaluation of organic cathode materials, the effectiveness of HTCS depends on the accuracy of the employed chem. descriptors and their computing cost. This work was focused on evaluating the performance of computational chem. methods, including semi-empirical quantum mechanics (SEQM), d.-functional tight-binding (DFTB), and d. functional theory (DFT), for the prediction of the redox potentials of quinone-based cathode materials for Li-ion batteries. In addition, we evaluated the accuracy of three energy-related descriptors: (1) the redox reaction energy, (2) the LUMO (LUMO) energy of reactant mols., and (3) the HOMO (HOMO) energy of lithiated product mols. Among them, the LUMO energy of the reactant compounds, regardless of the level of theory used for its calculation, showed the best performance as a descriptor for the prediction of exptl. redox potentials. This finding contrasts with our earlier results on the calculation of quinone redox potentials in aqueous media for redox flow batteries, for which the redox reaction energy was the best descriptor. Furthermore, the combination of geometry optimization using low-level methods (e.g., SEQM or DFTB) followed by energy calculation with DFT yielded accuracy as good as the full optimization of geometry using the DFT calculations Thus, the proposed calculation scheme is useful for both the optimum use of computational resources and the systematic generation of robust calculation data on quinone-based cathode compounds for the training of data-driven material discovery models.

Batteries (Basel, Switzerland) published new progress about Battery cathodes. 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

Guo, Haixin; Duereh, Alif; Su, Yaqiong; Hensen, Emiel J. M.; Qi, Xinhua; Smith, Richard Lee Jr. published the artcile< Mechanistic role of protonated polar additives in ethanol for selective transformation of biomass-related compounds>, COA of Formula: C19H34O2, the main research area is mechanistic protonated polar ethanol transformation biomass.

We report on a combined exptl., spectroscopic and theor. study of acid catalyzed dehydration-etherification of fructose in ethanol for understanding the mechanistic role of polar solvent additives and product selectivity. Herein, we show that polar solvent additives (e.g. THF, acetone, acetonitrile, gamma-valerolactone, DMSO) protonated with a common solid acid catalyst in ethanol allow transformation of biomass-related compounds into desired dehydration or etherification products. Fructose in ethanol with DMSO additive is selectively transformed into 5-hydroxymethylfurfural with negligible formation of 5-ethoxymethylfurfural due to preferential DMSO protonation according to its polarity. Spectroscopic methods and d. functional theory show that additives having higher polarity than ethanol are readily protonated and act as the key catalytic protonation species and as the key stabilization species for reaction intermediates. Understanding the mechanism of protonated polar additives in reaction systems allows one to tailor selectivity in acid-catalyzed dehydration-etherification schemes and to develop sustainable chem. for biomass resources.

Applied Catalysis, B: Environmental published new progress about Alcoholysis. 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

Zhang, Jun; Yang, Min; Liu, Jin-Biao; He, Fu-Sheng; Wu, Jie published the artcile< A copper-catalyzed insertion of sulfur dioxide via radical coupling>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is beta sulfonyl enamine preparation stereoselective regioselective; ortho acyl oxime azirine DABCO sulfur dioxide insertion copper.

A copper-catalyzed three-component reaction of O-acyl oximes, DABCO.(SO2)2, and 2H-azirines under mild conditions has been achieved. This protocol provides an efficient route for the construction of various tetrasubstituted β-sulfonyl N-unprotected enamines in moderate to good yields with excellent stereoselectivity and regioselectivity. Notably, this method represents a rare example of 2H-azirines as useful synthons for β-functionalized N-unprotected enamines. Preliminary mechanistic studies indicate that the reaction proceeds through coupling of a sulfonyl radical and α-carbon radical via copper-catalyzed ring-opening C-C bond cleavage of O-acyl oxime and C-N bond cleavage of 2H-azirine with the insertion of sulfur dioxide.

Chemical Communications (Cambridge, United Kingdom) published new progress about Azirines 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, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Liu, Junnan; Zhao, Min; Zhang, Shuang; Liu, Jiaonan; Zhao, Chunjie; Wang, Miao published the artcile< Rapid characterization of the chemical constituents of Wangbi Capsule by UPLC coupled with Fourier transform ion cyclotron resonance mass spectrometry>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is capsule UPLC ion cyclotron resonance mass spectrometry.

Wangbi Capsule is a compound preparation composed of 17 traditional Chinese medicines, which is widely used in the treatment of rheumatoid arthritis. In our study, a rapid and straightforward anal. method was successfully established by using Ultra performance liquid chromatog. coupled with Fourier transform ion cyclotron resonance mass spectrometry technol. to quickly sep. and identify the chem. constituents of Wangbi Capsule. The chromatog. was performed on a Universal XB-C18 column (2.1 mm x 150 mm, 3μm) by the mobile phase containing acetonitrile (A)-0.1% formic acid and water (B) at the flow rate of 0.2 mL/min. The pos. and neg. ions of the samples were analyzed by extraction ion chromatog. Based on accurate mass spectrometry informations such as excimer ions and fragment ions, combined with the reference materials and the reference literature, 140 compounds in the Wangbi Capsule were identified or preliminarily characterized. The results of the study show that Wangbi Capsules mainly contain 3 types of nucleosides, 31 types of alkaloids, 12 types of organic acids, 29 types of flavonoids, 12 types of monoterpene glycosides, 30 types of coumarins, 10 types of chromones, 3 types of saponins, 6 kinds of phenylethanoid glycosides and other chem. components. The method established in this study can quickly and efficiently identify the chem. constituents in Wangbi Capsules. It is hoped that it will have a certain significance for the characterization of other Chinese medicine components and lay the foundation for pharmacol. research and subsequent in vivo studies of Wangbi Capsules.

Microchemical Journal published new progress about Capsules. 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

Aguilar-Morante, Diana; Gomez-Cabello, Daniel; Quek, Hazel; Liu, Tianqing; Hamerlik, Petra; Lim, Yi Chieh published the artcile< Therapeutic Opportunities of Disrupting Genome Integrity in Adult Diffuse Glioma>, Product Details of C19H34O2, the main research area is review glioma glioblastoma genome central nervous system therapeutics; CNS tumors; DNA damage response; DNA repair; glioma; molecular markers; pharmacotherapeutics; precision medicine; synthetic lethality; targeted therapy.

A review. Adult diffuse glioma, particularly glioblastoma (GBM), is a devastating tumor of the central nervous system. The existential threat of this disease requires on-going treatment to counteract tumor progression. The present outcome is discouraging as most patients will succumb to this disease. The low cure rate is consistent with the failure of first-line therapy, radiation and temozolomide (TMZ). Even with their therapeutic mechanism of action to incur lethal DNA lesions, tumor growth remains undeterred. Delivering addnl. treatments only delays the inescapable development of therapeutic tolerance and disease recurrence. The urgency of establishing lifelong tumor control needs to be re-examined with a greater focus on eliminating resistance. Early genomic and transcriptome studies suggest each tumor subtype possesses a unique mol. network to safeguard genome integrity. Subsequent seminal work on post-therapy tumor progression sheds light on the involvement of DNA repair as the causative contributor for hypermutation and therapeutic failure. In this review, we will provide an overview of known mol. factors that influence the engagement of different DNA repair pathways, including targetable vulnerabilities, which can be exploited for clin. benefit with the use of specific inhibitors.

Biomedicines published new progress about Central nervous system. 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

Carboni, D.; Jiang, Y.; Malfatti, L.; Innocenzi, P. published the artcile< Selective detection of organophosphate through molecularly imprinted GERS-active hybrid organic-inorganic materials>, Electric Literature of 112-63-0, the main research area is organophosphate graphene mol imprinting hybrid organic inorganic material; graphene enhanced Raman scattering hybrid organic inorganic material.

A selective sensing platform for the organophosphate paraoxon, a highly toxic organic pollutant, has been designed and tested on water samples. A porous hybrid organic-inorganic film, synthesized using tetraethoxysilane, 1,8-bis(triethoxysilyl)octane and cetyltrimethylammonium bromide, has been molecularly imprinted with a structural analog of paraoxon, the diethyl(4-nitrobenzyl)phosphonate, to induce selective recognition. Exfoliated graphene has been incorporated into the porous matrix to provide enhancement of the Raman scattering signal. The Raman sensor has been tested on different concentrations of paraoxon in both ethanol and water/ethanol mixture The mol. selectivity has been assessed by comparing the Raman signal enhancement of paraoxon with a similar organophosphate, the bis-(4-nitrophenyl) phosphate. The molecularly imprinted film has shown a fourfold increase of the paraoxon signal, when compared with the corresponding not-imprinted. The evaluation of the d. of mol. cavities into the molecularly imprinted samples (4.50 * 10-10 μmol μm-3) has allowed assuming that each mol. cavity is capable of providing a remarkable signal enhancement of 1.47 * 1012 count * μmol-1 only when recognising paraoxon. The material design has allowed coupling the sensitivity of the graphene-mediated enhancement of Raman scattering with the selectivity of mol. imprinting into a single and potentially portable, anal. system. Copyright © 2017 John Wiley & Sons, Ltd.

Journal of Raman Spectroscopy published new progress about Density. 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

Perkin, W. H.; Smith, Alice E. published the artcile< The synthesis of ααγ-trimethylglutaric acid, of the cis- and trans-modifications of β-hydroxy-ααγ-trimethylglutaric acid, and of ααγ-trimethylglutaconic acid>, HPLC of Formula: 112-63-0, the main research area is .

A study on the synthesis of ααγ-trimethylglutaric acid, of the cis- and trans-modifications of β-hydroxy-ααγ-trimethylglutaric acid, and of ααγ-trimethylglutaconic acid was carried out. A mixture of ethyl dimethylmalonate and ethyl acetate was readily acted on by sodium, yielding the sodium compound of ethyl αα-dimethylacetonedicarboxylate. If this was treated with methyl iodide, a methyl group is introduced in the place of the metal and ethyl ααγ-trimethylacetonedicarboxylate is formed. When ethyl ααγ-trimethylacetonedicarboxylate was reduced with sodium amalgam, it yielded a mixture of two isomeric acids that melt at 115° and 155°, and were stereoisomeric modifications of β-hydroxy-ααγ-trimethylglutaric acid.

Journal of the Chemical Society, Transactions published new progress about Charcoal (animal). 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

Alsowayigh, Marwah M.; Timco, Grigore A.; Borilovic, Ivana; Alanazi, Abdulaziz; Vitorica-yrezabal, Inigo J.; Whitehead, George F. S.; McNaughter, Paul D.; Tuna, Floriana; O’Brien, Paul; Winpenny, Richard E. P.; Lewis, David J.; Collison, David published the artcile< Heterometallic 3d-4f Complexes as Air-Stable Molecular Precursors in Low Temperature Syntheses of Stoichiometric Rare-Earth Orthoferrite Powders>, Application In Synthesis of 112-63-0, the main research area is heterometallic lanthanum gadolinium orthoferrite preparation crystal mol structure thermolysis.

Four 3d-4f heteropolymetallic complexes [Fe2Ln2((OCH2)3CR)2(O2CtBu)6(H2O)4] (where Ln = La (1 and 2) and Gd (3 and 4); and R = Me (1 and 3) and Et (2 and 4)) are synthesized and analyzed using elemental anal., Fourier transform IR spectroscopy (FT-IR), thermogravimetric anal. (TGA) and SQUID magnetometry. Crystal structures are obtained for both Me derivatives and show that the complexes are isostructural and adopt a defective dicubane topol. The four heavy metals are connected with two alkoxide bridges. These four precursors are used as single-source precursors to prepare rare-earth orthoferrite pervoskites of the form LnFeO3. Thermal decomposition in a ceramic boat in a tube furnace gives orthorhombic LnFeO3 powders using optimized temperatures and decomposition times: LaFeO3 formed at 650° over 30 min, whereas GdFeO3 formed at 750° over 18 h. These materials are structurally characterized using powder x-ray diffraction, Raman spectroscopy, SEM, energy-dispersive x-ray map spectroscopy, and SQUID magnetometry. EDX spectroscopy mapping reveals a homogeneous spatial distribution of elements for all four materials consistent with LnFeO3. Magnetic measurements on complexes 1-4 confirms the presence of weak antiferromagnetic coupling between the central Fe(III) ions of the clusters and negligible ferromagnetic interaction with peripheral Gd(III) ions in 3 and 4. Zero field cooled (ZFC) and field-cooled (FC) measurements of magnetization of LaFeO3 and GdFeO3 in the solid state suggests that both materials are ferromagnetic, and both materials show open magnetic hysteresis loops at 5 and 300 K, with Msat higher than previously reported for these as nanomaterials. We conclude that this is a new and facile low temperature route to these important magnetic materials that is potentially universal limited only by what metals can be programmed into the precursor complexes. Novel heterometallic 3d-4f complexes are reported, and their use as air stable mol. precursors for the synthesis of solid state rare earth orthoferrites (LnFeO3) is explored.

Inorganic Chemistry published new progress about Antiferromagnetic exchange. 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

Brunel, Jeremie; Ledoux, Isabelle; Zyss, Joseph; Blanchard-Desce, Mireille published the artcile< Propeller-shaped molecules with giant off-resonance optical nonlinearities>, Category: esters-buliding-blocks, the main research area is nonlinear optical triphenylbenzene crux preparation.

Propeller-shaped mols. based on a triphenylbenzene crux bearing three oligomeric phenylenevinylene branches were designed. Very large first-order hyperpolarizabilities (up to ‖β‖ = 800 10-30 esu) were obtained while maintaining wide transparency in the visible region by taking advantage and boosting of intramol. charge transfer between the center and the periphery.

Chemical Communications (Cambridge, United Kingdom) published new progress about Nonlinear optical materials. 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