Tag: M.W=150-200

Liu, Yaran published the artcileA high-resolution Orbitrap Mass spectral library for trace volatile compounds in fruit wines, Category: esters-buliding-blocks, the main research area is fruit wine blueberry gojiberry volatile compound odor HRMS library.

The overall aroma is an important factor of the sensory quality of fruit wines, which attributed to hundreds of volatile compounds However, the qual. determination of trace volatile compounds is considered to be very challenging work. GC-Orbitrap-MS with high resolution and high sensitivity provided more possibilities for the determination of volatile compounds, but without the high-resolution mass spectral library. For accuracy of qual. determination in fruit wines by GC-Orbitrap-MS, a high-resolution mass spectral library, including 76 volatile compounds, was developed in this study. Not only the HRMS spectrum but also the exact ion fragment, relative abundance, retention indexes (RI), CAS number, chem. structure diagram, aroma description and aroma threshold (ortho-nasally) were provided and were shown in a database website (Food Flavor Laboratory, http://foodflavorlab.cn/). HRMS library was used to successfully identify the volatile compounds mentioned above in 16 fruit wines (5 blueberry wines, 6 goji berry wines and 5 hawthorn wines). The library was developed as an important basis for further understanding of trace volatile compounds in fruit wines.

Scientific Data published new progress about Blueberry. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Category: esters-buliding-blocks.

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

Liu, Yaran published the artcileA high-resolution Orbitrap Mass spectral library for trace volatile compounds in fruit wines, SDS of cas: 123-29-5, the main research area is fruit wine blueberry gojiberry volatile compound odor HRMS library.

The overall aroma is an important factor of the sensory quality of fruit wines, which attributed to hundreds of volatile compounds However, the qual. determination of trace volatile compounds is considered to be very challenging work. GC-Orbitrap-MS with high resolution and high sensitivity provided more possibilities for the determination of volatile compounds, but without the high-resolution mass spectral library. For accuracy of qual. determination in fruit wines by GC-Orbitrap-MS, a high-resolution mass spectral library, including 76 volatile compounds, was developed in this study. Not only the HRMS spectrum but also the exact ion fragment, relative abundance, retention indexes (RI), CAS number, chem. structure diagram, aroma description and aroma threshold (ortho-nasally) were provided and were shown in a database website (Food Flavor Laboratory, http://foodflavorlab.cn/). HRMS library was used to successfully identify the volatile compounds mentioned above in 16 fruit wines (5 blueberry wines, 6 goji berry wines and 5 hawthorn wines). The library was developed as an important basis for further understanding of trace volatile compounds in fruit wines.

Scientific Data published new progress about Blueberry. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, SDS of cas: 123-29-5.

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

Levi, Samuel M. published the artcileCatalytic activation of glycosyl phosphates for stereoselective coupling reactions, Recommanded Product: Benzyl acetate, the main research area is stereoselective coupling catalytic glycoside preparation nucleophilic substitution thiourea; H bonding; glycosylation; organocatalysis; phosphate.

Glycosyl phosphates are shown to be activated to stereospecific nucleophilic substitution reactions by precisely tailored bis-thiourea catalysts. Enhanced reactivity and scope is observed with phosphate relative to chloride leaving groups. Stronger binding (Km) to the H-bond donor and enhanced reactivity of the complex (kcat) enables efficient catalysis with broad functional group compatibility under mild, neutral conditions.

Proceedings of the National Academy of Sciences of the United States of America published new progress about Catalysis. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Recommanded Product: Benzyl acetate.

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

Saha, M. N. published the artcileSmall molecule MIRA-1 induces in vitro and in vivo anti-myeloma activity and synergizes with current anti-myeloma agents, Quality Control of 72835-26-8, the main research area is small mol MIRA1 antimyeloma doxorubicin dexamethasone Velcade synergism; multiple myeloma.

Background: Small mol. MIRA-1 induced mutant p53-dependent apoptosis in several types of solid tumors. However, anti-tumor activity of MIRA-1 in haematol. malignancies including multiple myeloma (MM) is unknown. In this study, we evaluated the effect of MIRA-1 in MM. Methods: We examined the anti-tumor activity of MIRA-1 alone or in combination with current anti-myeloma agents in a panel of MM cell lines, primary MM samples, and in a mouse xenograft model of MM. Results: MIRA-1 treatment resulted in the inhibition of viability, colony formation, and migration and increase in apoptosis of MM cells irresp. of p53 status accompanied by upregulation of Puma and Bax and downregulation of Mcl-1 and c-Myc. Genetic knockdown of p53 did not abrogate apoptotic response of MIRA-1. MIRA-1 triggered activation of PERK and IRE-α leading to splicing of XBP1 indicating an association of endoplasmic reticulum stress response. Furthermore, combined treatment of MIRA-1 with dexamethasone, doxorubicin or velcade displayed synergistic response in MM cells. Importantly, MIRA-1 alone or in combination with dexamethasone retarded tumor growth and prolonged survival without showing any untoward toxicity in the mice bearing MM tumor. Conclusions: Our data provide the preclin. framework for clin. evaluation of MIRA-1 as a novel therapeutic agent to improve patient outcome in MM.

British Journal of Cancer published new progress about Apoptosis. 72835-26-8 belongs to class esters-buliding-blocks, name is (2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate, and the molecular formula is C8H9NO4, Quality Control of 72835-26-8.

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

Abdalla, Ashraf N. published the artcileProapoptotic activity of Achillea membranacea essential oil and its major constituent 1,8-cineole against A2780 ovarian cancer cells, Synthetic Route of 110-42-9, the main research area is Achillea essential oil cineole heptanal anticancer agent ovarian cancer; 1,8-cineole; Asteraceae; GC-EI-MS; apoptosis; cell cycle; cytotoxicity; essential oil.

Among the hundreds of reported Achillea species, A. membranacea (Labill.) DC. is one of the six that grow in Jordan. Many species of this genus are used in folk medicine to treat a variety of ailments and several biol. and pharmacol. activities have been ascribed to their essential oil (EO). For this study, the EO obtained from a specimen of A. membranacea grown in Jordan was analyzed by GC-MS. Ninety-six compounds were detected, of which oxygenated monoterpenes was the predominant class (47.9%), followed by non-terpene derivatives (27.9%), while sesquiterpenes represented 14.2% of the total composition The most abundant compound in the EO was 1,8-cineole (21.7%). The cytotoxic activity of the EO was evaluated against three cancer cell lines (MCF7, A2780 and HT29), and one normal fibroblast cell line (MRC5) by MTT assay. The EO induced apoptosis and increased the preG1 events in A2780 cells. 1,8-Cineole, the major constituent of the EO, exhibited submicromolar cytotoxicity against A2780 cells, and was 42 times more selective against MRC5 cells. Its cytotoxicity against A2780 cells was comparable with that of doxorubicin, but 1,8-cineole was more selective for MRC5 normal cells. Interestingly, 1,8-cineole enhanced apoptosis in A2780, and caused a remarkable dose-dependent increase in preG1 events. Thus, 1,8-cineole has demonstrated promising cytotoxic and proapoptotic properties.

Molecules published new progress about Apoptosis. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Synthetic Route of 110-42-9.

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

Mohamed, Marwa Abd El Hameed published the artcileProtective effects of Saraca indica L. leaves extract (family Fabaceae) against gamma irradiation induced injury in the kidney of female albino rats, COA of Formula: C11H22O2, the main research area is Saraca indica Fabaceae leaf extract kidney gamma irradiation; GC-MS; Saraca indica L.; flavonoids; inflammation; irradiation.

This work was designed to estimate the protective effect of Saraca indica L. leaves ethanolic exract against γ-irradiation induced renal damage in rats. Phytochem. examinations of S. indica L. leaves extract resulted in the separation of three flavanone glycosides: Astilibin (1), Neoastilbin (2), and Eriodictyol-7-O-α-L-rhamnopyranoside (3); two flavonols: Quercetin (4) and Quercetin-3-O-α-L-arabinopyranosyl-(1′′′-6′′)-O-β-D-galactopyranoside (5) in addition of Gallic acid (6) and Me gallate (7). Their structures elucidated by chem. evidences and spectroscopic anal. (1 and 2D-NMR, -ESI-MS, UV). Female rats were used and classified into: control, Ext (200 mg/kg body wt/day orally for 7 days), IRR (8Gy), Ext + IRR, and Sily+IRR groups (received silymarin 50 mg/kg b.wt orally as reference drug). Results showed that S. indica L. leaves extract ameliorated the kidney function tests, hs-CRP, IL-1β, ACE, TNF-α, GSH, and MDA as well as, decreased the histopathol. changes of kidney. In conclusion, S. indica L. leaves extract had a renoprotective activity against irradiation induced renal injury due to its flavononid contents.

Environmental Toxicology published new progress about Apoptosis. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, COA of Formula: C11H22O2.

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

Chen, Shuang published the artcileSynthesis of T-Type low-viscosity hydrocarbon bio-lubricant from fatty acid methyl esters and coconut oil, Recommanded Product: Methyl decanoate, the main research area is fatty acid methyl ester coconut oil viscosity hydrocarbon biolubricant.

Biomass-derived long-chain alkanes with highly sym. branches, which show comparable properties to traditional petrochem.-based poly-α-olefin (PAO), have great potential economic value for industrial application. In this work, we developed a new strategy to prepare T-type low-viscosity bio-lubricant base oil using inexpensive lipid-derived fatty acid Me esters (FAMEs) as raw materials with a total carbon yield of around 67.3%. The fatty acid Me ester compounds (R1-COOCH3) were converted to fatty alcs. using methanol as the solvent and hydrogen donor over the Cu/SiO2 catalyst. Subsequently, fatty alc. was further brominated to the Bromo-Grignard reagents (R1-CH2-MgBr). In the next step, a T-type synthetic bio-lubricant base oil (R1-C(R2)-R1) was formed by the hydrodeoxygenation of sym. tertiary alc. precursors over Pd/C, where sym. tertiary alc. precursors were obtained via the nucleophilic addition of Bromo-Grignard reagents with fatty acid Me ester (R2-COOCH3). The specific properties of the branched representative bio-lubricant C32 (12’10’10’) are comparable to those of the com. lubricant PAO 3.6. This strategy offered a new promising route for synthesizing high-quality bio-lubricant base oil.

Renewable Energy published new progress about Base oils. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Recommanded Product: Methyl decanoate.

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

Chelladorai, Prabhu published the artcileThe potential impact of unsaturation degree of the biodiesels obtained from beverage and food processing biomass streams on the performance, combustion and emission characteristics in a single-cylinder CI engine, Quality Control of 110-42-9, the main research area is biodiesel beverage food processing biomass combustion emission CI engine; Combustion and kinetics; Compression ignition engine; Grapeseed biodiesel; Unsaturation; Wheat germ biodiesel; Wheat milling by-product; Winery waste.

The purpose of this study is to exptl. investigate the effect of unsaturation of the biodiesels obtained from grapeseed oil, wheat germ oil and coconut oil (reference fuel) for compression ignition (CI) engine application. Fatty acid profile anal. and physio-chem. properties were determined by standard test procedures. Engine testing was carried out in a 5.2-kW single-cylinder CI engine and the combustion, performance and emission characteristics were analyzed. The effect of fuel property variation and the combustion reaction kinetics due to unsaturation difference have been discussed. The maximum brake thermal efficiency at full load for diesel was found to be 32.3% followed by 31.3%, 30.2% and 27.4%, resp., for coconut biodiesel (CBD), grapeseed biodiesel (GSBD) and wheat germ biodiesel (WGBD). Maximum heat release rate as observed for diesel, CBD, GSBD and WGBD are 63.2 J/°CA 60.7 J/°CA and 59 J/°CA and 43.4 J/°CA resp. The brake-specific NO emission at full load is higher for CBD followed by GSBD, WGBD and diesel having values of 9.23 g/kWh, 8.91 g/kWh, 8.21 g/kWh and 7.6 g/kWh resp. Conversely, the smoke emission is lower for CBD compared to the other tested fuels.

Environmental Science and Pollution Research published new progress about Beverages. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Quality Control of 110-42-9.

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

Chelladorai, Prabhu published the artcileThe potential impact of unsaturation degree of the biodiesels obtained from beverage and food processing biomass streams on the performance, combustion and emission characteristics in a single-cylinder CI engine, Application of Methyl octanoate, the main research area is biodiesel beverage food processing biomass combustion emission CI engine; Combustion and kinetics; Compression ignition engine; Grapeseed biodiesel; Unsaturation; Wheat germ biodiesel; Wheat milling by-product; Winery waste.

The purpose of this study is to exptl. investigate the effect of unsaturation of the biodiesels obtained from grapeseed oil, wheat germ oil and coconut oil (reference fuel) for compression ignition (CI) engine application. Fatty acid profile anal. and physio-chem. properties were determined by standard test procedures. Engine testing was carried out in a 5.2-kW single-cylinder CI engine and the combustion, performance and emission characteristics were analyzed. The effect of fuel property variation and the combustion reaction kinetics due to unsaturation difference have been discussed. The maximum brake thermal efficiency at full load for diesel was found to be 32.3% followed by 31.3%, 30.2% and 27.4%, resp., for coconut biodiesel (CBD), grapeseed biodiesel (GSBD) and wheat germ biodiesel (WGBD). Maximum heat release rate as observed for diesel, CBD, GSBD and WGBD are 63.2 J/°CA 60.7 J/°CA and 59 J/°CA and 43.4 J/°CA resp. The brake-specific NO emission at full load is higher for CBD followed by GSBD, WGBD and diesel having values of 9.23 g/kWh, 8.91 g/kWh, 8.21 g/kWh and 7.6 g/kWh resp. Conversely, the smoke emission is lower for CBD compared to the other tested fuels.

Environmental Science and Pollution Research published new progress about Beverages. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Application of Methyl octanoate.

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

Bradford, Shanshan Y. C. published the artcileTemperature artifacts in protein structures bias ligand-binding predictions, Recommanded Product: Benzyl acetate, the main research area is temperature artifacts ligand binding prediction protein structure.

X-ray crystallog. is the gold standard to resolve conformational ensembles that are significant for protein function, ligand discovery, and computational methods development. However, relevant conformational states may be missed at common cryogenic (cryo) data-collection temperatures but can be populated at room temperature To assess the impact of temperature on making structural and computational discoveries, we systematically investigated protein conformational changes in response to temperature and ligand binding in a structural and computational workhorse, the T4 lysozyme L99A cavity. Despite decades of work on this protein, shifting to RT reveals new global and local structural changes. These include uncovering an apo helix conformation that is hidden at cryo but relevant for ligand binding, and altered side chain and ligand conformations. To evaluate the impact of temperature-induced protein and ligand changes on the utility of structural information in computation, we evaluated how temperature can mislead computational methods that employ cryo structures for validation. We find that when comparing simulated structures just to exptl. cryo structures, hidden successes and failures often go unnoticed. When using structural information in ligand binding predictions, both coarse docking and rigorous binding free energy calculations are influenced by temperature effects. The trend that cryo artifacts limit the utility of structures for computation holds across five distinct protein classes. Our results suggest caution when consulting cryogenic structural data alone, as temperature artifacts can conceal errors and prevent successful computational predictions, which can mislead the development and application of computational methods in discovering bioactive mols.

Chemical Science published new progress about Algorithm. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Recommanded Product: Benzyl acetate.

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