Month: October 2022

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

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

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

Kato, Taka-aki; Saeki, Ken-ichi; Kawazoe, Yutaka; Hakura, Atsushi published the artcile< Effects of oligofluorine substitution on the mutagenicity of quinoline: a study with twelve fluoroquinoline derivatives>, SDS of cas: 112-63-0, the main research area is fluoroquinoline mutagenicity oligofluorine substitution.

A total of 12 variously fluorinated derivatives of quinoline (Q) were tested for their mutagenicity in Salmonella typhimurium TA100 in the presence of S9 mix to investigate the structure-mutagenicity relation in oligofluorinated quinolines. Nine of them, 3,7-di-, 5,6-di-, 6,7-di-, 6,8-di-, 7,8-di-, 3,5,7-tri-, 5,6,8-tri-, 6,7,8-tri-, and 5,6,7,8-tetrafluoroquinolines (FQs), were newly synthesized for this purpose. Those fluorinated at position 3 were all non-mutagenic. Mutagenicity was enhanced by fluorine-substitution at position 5 or 7, but not in 3-FQs (i.e., 3,5-di-, 3,7-di-, and 3,5,7-triFQs). Some of the 6-fluorinated derivatives showed less maximum induced-revertants with more mutagenic potencies in terms of induced-revertants per dose than quinoline. No marked change occurred by fluorine-substitution at position 8. These results show that the effect of di- and trifluoro-substitution on mutagenicity is generally additive, while that of tetrafluorination approaches the deactivating effect of perfluorination. The authors study suggests that 3-fluorine-substitution in the pyridine moiety may be a useful means of antimutagenic structural modification in pyridine-fused aromatic chems. for medicinal and agricultural use.

Mutation Research, Genetic Toxicology and Environmental Mutagenesis published new progress about Mutagens. 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

Yue, Rong; Lu, Qing; Zhou, Yikai published the artcile< A novel nitrite biosensor based on single-layer graphene nanoplatelet-protein composite film>, Category: esters-buliding-blocks, the main research area is nitrite biosensor single layer graphene nanoplatelet protein composite film.

A novel nitrite biosensor was developed through a sensing platform consisted of single-layer graphene nanoplatelet (SLGnP)-protein composite film. SLGnP with the virtues of excellent biocompatibility, conductivity and high sensitivity to the local perturbations can provide a biocompatible microenvironment for protein immobilization and a suitable electron transfer distance between electroactive centers of heme protein and electrode surface. A pair of well-defined and quasi-reversible cyclic voltammetric peaks that reflected the direct electrochem. for ferric/ferrous couple of myoglobin (Mb) was achieved at the composite film modified electrode. Field emission SEM (FESEM) and UV visible spectra (UV-vis) were utilized to characterize the composite film. The results demonstrated that the morphol. of the composite film was unique and the protein in the composite film retained its secondary structure similar to the native state. The composite film also displayed excellent electrocatalytic ability for the reduction of nitric oxide, which was applied to determine nitrite indirectly. It exhibited good electrochem. response to nitrite with a linear range from 0.05 to 2.5 mM and a detection limit of 0.01 mM.

Biosensors & Bioelectronics published new progress about Chemically modified electrodes. 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

Wei, Shu-jun; Zhang, Qing; Xiang, Yong-jing; Peng, Lan-yu; Peng, Wei; Ren, Qiang; Gao, Yong-xiang published the artcile< Guizhi-Shaoyao-Zhimu decoction attenuates bone erosion in rats that have collagen-induced arthritis via modulating NF-κB signalling to suppress osteoclastogenesis>, Reference of 112-63-0, the main research area is GuiZhi ShaoYao ZhiMu decoction antiarthritic agent collagen induced arthritis; RANKL; Rheumatoid arthritis; osteoclast; osteoprotegerin.

Guizhi-Shaoyao-Zhimu decoction (GSZD) is commonly used to treat rheumatoid arthritis (RA), but its mechanism is unclear. To investigate the effect of GSZD on bone erosion in type II collagen (CII)-induced arthritis (CIA) in rats and to identify the underlying mechanism. The CIA model was prepared in male Wistar rats by two s.c. injections of CII, 1 mg/mL. Fifty CIA rats were randomized equally into the control group given saline daily, the pos. group given saline daily and methotrexate 0.75 mg/kg once a week, and three GSZD-treated groups gavaged daily with 800, 1600 and 3200 mg/kg of GSZD for 21 days. GSZD effects were assessed by paw volume, arthritic severity index and histopathol. Cytokine levels were determined by ELISA. The effects of GSZD on RAW264.7 cells were evaluated by receptor activator of NF-κB ligand (RANKL)-induced osteoclastogenesis and bone resorption assay. Expression of IκB-α and p65 was measured by Western blotting. Major components of GSZD were identified by HPLC. Arthritis index score, paw volume and bone destruction score showed that GSZD improved inflammatory symptoms and reduced joint tissue erosion (p < 0.01). GSZD decreased RANKL, and the number of osteoclasts (OCs) in joint tissues (p < 0.01) and increased osteoprotegerin levels (p < 0.01). GSZD inhibited RANKL-induced RAW264.7 differentiation and reduced bone resorption by OCs. GSZD upregulated IκB (p < 0.01) and p65 (p < 0.01) in the cytoplasm and downregulated p65 (p < 0.01) in the cell nucleus. Guizhi-Shaoyao-Zhimu decoction has an anti-RA effect, suggesting its possible use as a supplement and alternative drug therapy for RA. Pharmaceutical Biology (Abingdon, United Kingdom) published new progress about Ankle. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

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

Nurhayati; Saputra, L.; Awaluddin, A.; Kurniawan, E. published the artcile< Converting waste cooking oil to biodiesel catalyzed by NaOH-impregnated CaO derived from cockle shell (Anadara granosa)>, Quality Control of 112-63-0, the main research area is sodium hydroxide calcium oxide biodeisel waste cooking oil transesterification.

Herein, we developed an efficient and easily separable Na/CaO catalyst derived from cockle shell (Anadara granosa) for biodiesel production from waste cooking oil. Impregnation with 3 wt % of NaOH could enhance the sp. surface area and catalytic performance (>89% biodiesel yield). The effects of calcination temperature, reaction time, and stirring speed were also carefully studied. The quality of biodiesel obtained using this method mainly fulfills the requirements for biodiesel standard (ASTM D 6751).

Kinetics and Catalysis published new progress about Adsorption. 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

Huertas, Raul; William Allwood, J.; Hancock, Robert D.; Stewart, Derek published the artcile< Iron and zinc bioavailability in common bean (Phaseolus vulgaris) is dependent on chemical composition and cooking method>, Application of C19H34O2, the main research area is Phaseolus genotyoe iron zinc bioavailability cooking biofortification; Bioavailability; Common bean; Domestic processing; In vitro digestion; Iron; Phaseolus vulgaris; Zinc.

The influence of genotype and domestic processing on iron and zinc bioavailability in common bean germplasm was investigated using an in vitro digestion model. Raw beans exhibited diversity in iron content (50 to >90 mg kg-1) although zinc content was similar (30-40 mg kg-1). Following preparation by different household cooking methods < 5% of the iron in raw beans was recovered in the bioavailable fraction following in vitro digestion. However, up to 20% of zinc present in dry seeds was bioavailable. A high proportion of iron and zinc in raw beans (up to 40%) was lost by leaching into cooking water when beans were prepared by boiling. Although untargeted LC/MS revealed genotype-dependent differences in grain chem., correlations between mineral bioavailability and antinutritional phytates and polyphenols were mostly insignificant. Our data highlight the need to consider losses during domestic processing and the related physicochem. traits in biofortification programs. Food Chemistry published new progress about Aldaric acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Ge, Yang; Yang, Haijun; Wang, Changyuan; Meng, Qiang; Li, Lei; Sun, Huijun; Zhen, Yuhong; Liu, Kexin; Li, Yanxia; Ma, Xiaodong published the artcile< Design and synthesis of phosphoryl-substituted diphenylpyrimidines (Pho-DPPYs) as potent Bruton's tyrosine kinase (BTK) inhibitors: Targeted treatment of B lymphoblastic leukemia cell lines>, Quality Control of 112-63-0, the main research area is preparation phosphoryl derivative diphenylpyrimidine Bruton’s kinase inhibitor leukemia; BTK; DPPY; Inhibitor; Leukemia; Phosphoryl.

A family of phosphoryl-substituted diphenylpyrimidine derivatives (Pho-DPPYs) were synthesized and biol. evaluated as potent BTK inhibitors in this study. Compound 7b was found to markedly inhibit BTK activity at concentrations of 0.82 nmol/L, as well as to suppress the proliferations of B-cell leukemia cell lines (Ramos and Raji) expressing high levels of BTK at concentrations of 3.17 μM and 6.69 μM. Moreover, flow cytometry anal. results further indicated that 7b promoted cell apoptosis to a substantial degree. In a word, compound 7b is a promising BTK inhibitor for the treatment of B-cell lymphoblastic leukemia.

Bioorganic & Medicinal Chemistry published new progress about Antitumor agents. 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

Valeev, R. F.; Davletbaev, A. M.; Talipov, R. F.; Miftakhov, M. S. published the artcile< Synthesis of a chiral building block for the C6-C9fragment of epothilones>, HPLC of Formula: 617-55-0, the main research area is dimethyl trimethylsilyl butynyl dioxolane diastereoselective epothilone preparation.

A procedure for the synthesis of 1,3-dioxolane I was developed via multistep reaction sequence starting from L-malic acid. Compound I could be employed as a chiral building block in the construction of C6-C9 fragment of epothilone analogs. Diastereoselective preparation of dimethyl[(trimethylsilyl)butynyl]dioxolane as chiral building block for epothilone analogs.

Russian Journal of Organic Chemistry published new progress about Acetalization. 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, HPLC of Formula: 617-55-0.

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