Month: December 2022

Siricilla, Shajila published the artcileComparative analysis of myometrial and vascular smooth muscle cells to determine optimal cells for use in drug discovery, Synthetic Route of 55981-09-4, the main research area is myometrial vascular smooth muscle cell drug discovery; Druggable transcriptome; High throughput; Intracellular calcium; Myometrium; Oxytocin; PHM1; Pregnancy; Preterm labor; RNA-sequencing; Tocolytic; Uterotonic; Vascular smooth muscle cells; hTERT-HM.

Novel therapeutic regulators of uterine contractility are needed to manage preterm labor, induce labor and control postpartum hemorrhage. Therefore, we previously developed a high-throughput assay for large-scale screening of small mol. compounds to regulate calcium-mobilization in primary mouse uterine myometrial cells. The goal of this study was to select the optimal myometrial cells for our high-throughput drug discovery assay, as well as determine the similarity or differences of myometrial cells to vascular smooth muscle cells (VSMCs)-the most common off-target of current myometrial therapeutics. Mol. and pharmacol. assays were used to compare myometrial cells from four sources: primary cells isolated from term pregnant human and murine myometrium, immortalized pregnant human myometrial (PHM-1) cells and immortalized non-pregnant human myometrial (hTERT-HM) cells. In addition, myometrial cells were compared to vascular SMCs. We found that the transcriptome profiles of hTERT-HM and PHM1 cells were most similar (r = 0.93 and 0.90, resp.) to human primary myometrial cells. Comparative transcriptome profiling of primary human myometrial transcriptome and VSMCs revealed 498 upregulated (p ≤ 0.01, log2FC≥1) genes, of which 142 can serve as uterine-selective druggable targets. In the high-throughput Ca2+-assay, PHM1 cells had the most similar response to primary human myometrial cells in OT-induced Ca2+-release (Emax = 195% and 143%, EC50 = 30 nM and 120 nM, resp.), while all sources of myometrial cells showed excellent and similar robustness and reproducibility (Z = 0.52 to 0.77). After testing a panel of 61 compounds, we found that the stimulatory and inhibitory responses of hTERT-HM cells were highly-correlated (r = 0.94 and 0.95, resp.) to human primary cells. Moreover, ten compounds were identified that displayed uterine-selectivity (≥5-fold Emax or EC50 compared to VSMCs). Collectively, this study found that hTERT-HM cells exhibited the most similarity to primary human myometrial cells and, therefore, is an optimal substitute for large-scale screening to identify novel therapeutic regulators of myometrial contractility. Moreover, VSMCs can serve as an important counter-screening tool to assess uterine-selectivity of targets and drugs given the similarity observed in the transcriptome and response to compounds

Pharmacological Research published new progress about Animal gene Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (CALD1). 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Synthetic Route of 55981-09-4.

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

Li, Chao published the artcileQuantitative structure-activity relationship models for predicting reaction rate constants of organic contaminants with hydrated electrons and their mechanistic pathways, Product Details of C9H10O2, the main research area is organic contaminant hydrated electron pathway reaction rate constant QSAR; Hydrated electron (e(aq)(−)); QSAR models; Quantum chemical calculation; Second order rate constants; Single electron transfer.

The hydrated electron (e-aq)-based reduction processes are promising for removing organic pollutants in water engineering systems. The reductive kinetics, especially the second order rate constants (keaq-) of e-aq with organic compounds, is important for evaluating and modeling the advanced reduction processes. In this study, the keaq-values for aliphatic compounds and phenyl-based compounds are, for the first time, modeled by the quant. structure-activity relationship (QSAR) method. The structural features governing the reactivity of two classes of organic compounds toward e-aq were revealed, and the energy of the LUMO (ELUMO), one-electron reduction potential (ERED) and polarizability (a) were found to be the important mol. parameters in both two models. The built QSAR models provide robust predictive tools for estimating the removal of emerging pollutants using e-aq during wastewater treatment processes. Addnl., quantum chem. calculations were employed to probe into the mechanism and feasibility of the single electron transfer (SET) pathway in the e-aq-based reduction process. The thermodn. investigation suggests that the compounds with electron-withdrawing groups tend to possess higher keaq- and lower Gibbs free energy (ΔGSET) and Gibbs free energies of activation (Δ‡GoSET) than the ones with electron-donating groups, indicating the SET process occurs more readily. It is also found that the refractory halogenated compounds can achieve dehalogenation via the SET pathway.

Water Research published new progress about Benzenoid aromatic compounds Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Product Details of C9H10O2.

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

Blackford, C. L. published the artcileExploring the influence of grape tissues on the concentration of wine volatile compounds, Name: Benzyl acetate, the main research area is volatile compound grape tissue skin seed wine flavor.

Knowledge of varietal wine flavor and aroma compounds has improved, but gaps exist concerning how grape composition impacts wine style. This work aimed to explore the influence that different grape tissues can have on the volatile profiles of wines. Riesling and Cabernet Sauvignon berries were separated into skin, flesh and seeds. Two sets of fermentations were performed using separated tissues: one using an equal mass of each tissue and another where the amount of each tissue in 25 g of berries was fermented. When an equal mass of tissue was used, the seed-derived wines had a higher concentration of esters than that produced from other grape tissues. Those produced using skins had the highest concentration of lipoxygenase pathway-derived compounds, and, for Riesling, a higher concentration of monoterpenes. When the proportional amounts of each tissue found per berry were used, the flesh-derived wines generally had a higher concentration of many wine volatiles compared to the other tissues. This reflects the greater proportion of flesh tissue in the berry compared to skin and seeds. Seed-derived compounds can enhance ester biosynthesis during fermentation and skins appear to have high lipoxygenase pathway activity. Nevertheless, the flesh makes up such a large proportion of the whole berry that it has the major influence on volatile profiles of whole berry fermentations Different berry tissues can alter wine composition in unique ways, and this can inform strategies to alter wine composition through vineyard management or the selection of new germplasm.

Australian Journal of Grape and Wine Research published new progress about Aromatic compounds Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Name: Benzyl acetate.

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

Blackford, C. L. published the artcileExploring the influence of grape tissues on the concentration of wine volatile compounds, Recommanded Product: Methyl decanoate, the main research area is volatile compound grape tissue skin seed wine flavor.

Knowledge of varietal wine flavor and aroma compounds has improved, but gaps exist concerning how grape composition impacts wine style. This work aimed to explore the influence that different grape tissues can have on the volatile profiles of wines. Riesling and Cabernet Sauvignon berries were separated into skin, flesh and seeds. Two sets of fermentations were performed using separated tissues: one using an equal mass of each tissue and another where the amount of each tissue in 25 g of berries was fermented. When an equal mass of tissue was used, the seed-derived wines had a higher concentration of esters than that produced from other grape tissues. Those produced using skins had the highest concentration of lipoxygenase pathway-derived compounds, and, for Riesling, a higher concentration of monoterpenes. When the proportional amounts of each tissue found per berry were used, the flesh-derived wines generally had a higher concentration of many wine volatiles compared to the other tissues. This reflects the greater proportion of flesh tissue in the berry compared to skin and seeds. Seed-derived compounds can enhance ester biosynthesis during fermentation and skins appear to have high lipoxygenase pathway activity. Nevertheless, the flesh makes up such a large proportion of the whole berry that it has the major influence on volatile profiles of whole berry fermentations Different berry tissues can alter wine composition in unique ways, and this can inform strategies to alter wine composition through vineyard management or the selection of new germplasm.

Australian Journal of Grape and Wine Research published new progress about Aromatic compounds Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Blackford, C. L. published the artcileExploring the influence of grape tissues on the concentration of wine volatile compounds, Recommanded Product: Ethyl octanoate, the main research area is volatile compound grape tissue skin seed wine flavor.

Knowledge of varietal wine flavor and aroma compounds has improved, but gaps exist concerning how grape composition impacts wine style. This work aimed to explore the influence that different grape tissues can have on the volatile profiles of wines. Riesling and Cabernet Sauvignon berries were separated into skin, flesh and seeds. Two sets of fermentations were performed using separated tissues: one using an equal mass of each tissue and another where the amount of each tissue in 25 g of berries was fermented. When an equal mass of tissue was used, the seed-derived wines had a higher concentration of esters than that produced from other grape tissues. Those produced using skins had the highest concentration of lipoxygenase pathway-derived compounds, and, for Riesling, a higher concentration of monoterpenes. When the proportional amounts of each tissue found per berry were used, the flesh-derived wines generally had a higher concentration of many wine volatiles compared to the other tissues. This reflects the greater proportion of flesh tissue in the berry compared to skin and seeds. Seed-derived compounds can enhance ester biosynthesis during fermentation and skins appear to have high lipoxygenase pathway activity. Nevertheless, the flesh makes up such a large proportion of the whole berry that it has the major influence on volatile profiles of whole berry fermentations Different berry tissues can alter wine composition in unique ways, and this can inform strategies to alter wine composition through vineyard management or the selection of new germplasm.

Australian Journal of Grape and Wine Research published new progress about Aromatic compounds Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 106-32-1 belongs to class esters-buliding-blocks, name is Ethyl octanoate, and the molecular formula is C10H20O2, Recommanded Product: Ethyl octanoate.

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

Blackford, C. L. published the artcileExploring the influence of grape tissues on the concentration of wine volatile compounds, Synthetic Route of 41114-00-5, the main research area is volatile compound grape tissue skin seed wine flavor.

Knowledge of varietal wine flavor and aroma compounds has improved, but gaps exist concerning how grape composition impacts wine style. This work aimed to explore the influence that different grape tissues can have on the volatile profiles of wines. Riesling and Cabernet Sauvignon berries were separated into skin, flesh and seeds. Two sets of fermentations were performed using separated tissues: one using an equal mass of each tissue and another where the amount of each tissue in 25 g of berries was fermented. When an equal mass of tissue was used, the seed-derived wines had a higher concentration of esters than that produced from other grape tissues. Those produced using skins had the highest concentration of lipoxygenase pathway-derived compounds, and, for Riesling, a higher concentration of monoterpenes. When the proportional amounts of each tissue found per berry were used, the flesh-derived wines generally had a higher concentration of many wine volatiles compared to the other tissues. This reflects the greater proportion of flesh tissue in the berry compared to skin and seeds. Seed-derived compounds can enhance ester biosynthesis during fermentation and skins appear to have high lipoxygenase pathway activity. Nevertheless, the flesh makes up such a large proportion of the whole berry that it has the major influence on volatile profiles of whole berry fermentations Different berry tissues can alter wine composition in unique ways, and this can inform strategies to alter wine composition through vineyard management or the selection of new germplasm.

Australian Journal of Grape and Wine Research published new progress about Aromatic compounds Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 41114-00-5 belongs to class esters-buliding-blocks, name is Ethyl pentadecanoate, and the molecular formula is C17H34O2, Synthetic Route of 41114-00-5.

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

Blackford, C. L. published the artcileExploring the influence of grape tissues on the concentration of wine volatile compounds, COA of Formula: C11H22O2, the main research area is volatile compound grape tissue skin seed wine flavor.

Knowledge of varietal wine flavor and aroma compounds has improved, but gaps exist concerning how grape composition impacts wine style. This work aimed to explore the influence that different grape tissues can have on the volatile profiles of wines. Riesling and Cabernet Sauvignon berries were separated into skin, flesh and seeds. Two sets of fermentations were performed using separated tissues: one using an equal mass of each tissue and another where the amount of each tissue in 25 g of berries was fermented. When an equal mass of tissue was used, the seed-derived wines had a higher concentration of esters than that produced from other grape tissues. Those produced using skins had the highest concentration of lipoxygenase pathway-derived compounds, and, for Riesling, a higher concentration of monoterpenes. When the proportional amounts of each tissue found per berry were used, the flesh-derived wines generally had a higher concentration of many wine volatiles compared to the other tissues. This reflects the greater proportion of flesh tissue in the berry compared to skin and seeds. Seed-derived compounds can enhance ester biosynthesis during fermentation and skins appear to have high lipoxygenase pathway activity. Nevertheless, the flesh makes up such a large proportion of the whole berry that it has the major influence on volatile profiles of whole berry fermentations Different berry tissues can alter wine composition in unique ways, and this can inform strategies to alter wine composition through vineyard management or the selection of new germplasm.

Australian Journal of Grape and Wine Research published new progress about Aromatic compounds Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, COA of Formula: C11H22O2.

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

Blackford, C. L. published the artcileExploring the influence of grape tissues on the concentration of wine volatile compounds, Product Details of C9H18O2, the main research area is volatile compound grape tissue skin seed wine flavor.

Knowledge of varietal wine flavor and aroma compounds has improved, but gaps exist concerning how grape composition impacts wine style. This work aimed to explore the influence that different grape tissues can have on the volatile profiles of wines. Riesling and Cabernet Sauvignon berries were separated into skin, flesh and seeds. Two sets of fermentations were performed using separated tissues: one using an equal mass of each tissue and another where the amount of each tissue in 25 g of berries was fermented. When an equal mass of tissue was used, the seed-derived wines had a higher concentration of esters than that produced from other grape tissues. Those produced using skins had the highest concentration of lipoxygenase pathway-derived compounds, and, for Riesling, a higher concentration of monoterpenes. When the proportional amounts of each tissue found per berry were used, the flesh-derived wines generally had a higher concentration of many wine volatiles compared to the other tissues. This reflects the greater proportion of flesh tissue in the berry compared to skin and seeds. Seed-derived compounds can enhance ester biosynthesis during fermentation and skins appear to have high lipoxygenase pathway activity. Nevertheless, the flesh makes up such a large proportion of the whole berry that it has the major influence on volatile profiles of whole berry fermentations Different berry tissues can alter wine composition in unique ways, and this can inform strategies to alter wine composition through vineyard management or the selection of new germplasm.

Australian Journal of Grape and Wine Research published new progress about Aromatic compounds Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Product Details of C9H18O2.

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

Zakrzewska, Malgorzata E. published the artcileHigh-pressure phase equilibrium studies of multicomponent (alcohol-water-ionic liquid-CO2) systems, Synthetic Route of 539-88-8, the main research area is alc water ionic liquid carbon dioxide phase equilibrium system.

Selective water (byproduct) separation from reaction mixtures stands as an important process intensification strategy for equilibrium-limited reactions. In this work, the possibility of using a high-pressure biphasic reaction media composed of a hydrophobic ionic liquid, 1-hexy-3-methylimidazolium tetracyanoborate, and carbon dioxide was explored for levulinic acid production from 1,4-butanediol. Vapor-liquid equilibrium measurements were performed for the binary (diol + CO2), ternary (diol + CO2+ IL), and quaternary systems (diol + CO2+ IL + water), at 313.2 K and pressures up to 18 MPa. The static anal. method was used in a high-pressure phase equilibrium apparatus equipped with a visual sapphire cell. The capability of the quaternary system to perform phys. water separation is discussed in this paper.

Cells published new progress about Ionic liquids. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Synthetic Route of 539-88-8.

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

Tang, Ke published the artcileChemical and Sensory Characterization of Vidal Icewines Fermented with Different Yeast Strains, Formula: C6H12O3, the main research area is icewine volatile compound aroma fermentation.

The aim of this study is to comprehensively investigate the aroma composition and sensory attributes of Vidal icewine fermented with four yeast strains (ST, K1, EC1118, and R2). A total of 485 kinds of volatile components were identified by comprehensive two-dimensional gas chromatog.-time of flight mass spectrometry, among which 347 kinds of volatile compounds were the same in four kinds of sample. The heat map was conducted with 156 volatile compounds, which have aroma contributions, and the anal. results identified the characteristics of the aroma composition of icewine fermented with different yeasts. Quant. descriptive anal. was performed with a trained panel to obtain the sensory profiles. The aroma attributes of honey and nut of the icewine fermented by R2 were much higher than others. Partial least squares discriminant anal. further provided 40 compounds that were mainly responsible for the differences of the aroma characteristics of the icewines fermented by four yeasts. This study provides more data on the current status of Vidal icewines by main com. yeasts.

Fermentation published new progress about Caramel (color). 5405-41-4 belongs to class esters-buliding-blocks, name is Ethyl 3-hydroxybutanoate, and the molecular formula is C6H12O3, Formula: C6H12O3.

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