Tag: M.W=150-200

Jin, Xinyu published the artcileDeveloping an authentication approach using SPME-GC-IRMS based on compound-specific δ13C analysis of six typical volatiles in wine, Name: Ethyl octanoate, the main research area is GC IRMS volatile wine extraction.

An anal. method using gas chromatog. isotope ratio mass spectrometry (GC-IRMS) combined with solid phase micro-extraction (SPME) was developed to measure the δ13C values of six typical volatiles commonly occurring in wine (isoamyl acetate, 2-octanone, limonene, 2-phenylethanol, Et octanoate and Et decanoate) for the first time. SPME selected with a divinylbenzene/carboxen/polydimethylsiloxane fiber was combined with the GC-IRMS for pretreatment optimization. The optimized SPME parameters of extraction time, extraction temperature and salt concentration were 40 min, 40 °C and 10%, resp. The δ13C values measured by SPME-GC-IRMS were in good agreement with those measured via elemental analyzer (EA)-IRMS and GC-IRMS. The differences range from 0.02 to 0.44‰ with EA-IRMS and from 0 to 0.28‰ with GC-IRMS, indicating the high accuracy of the method. This newly established method measured the precision within 0.30‰ and was successfully validated to discriminate imported real wine samples with identical label but amazing price differences from different importers.

Food Quality and Safety published new progress about Extraction. 106-32-1 belongs to class esters-buliding-blocks, name is Ethyl octanoate, and the molecular formula is C10H20O2, Name: Ethyl octanoate.

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

Zhang, Tengxun published the artcileGenome-wide identification, characterization, expression and enzyme activity analysis of coniferyl alcohol acetyltransferase genes involved in eugenol biosynthesis in Prunus mume, Application of Benzyl acetate, the main research area is Prunus mume CFAT1 gene petal stamen eugenol biosynthesis.

Prunus mume, a traditional Chinese flower, is the only species of Prunus known to produce a strong floral fragrance, of which eugenol is one of the principal components. To explore the mol. mechanism of eugenol biosynthesis in P. mume, patterns of dynamic, spatial and temporal variation in eugenol were analyzed using GC-MS. Coniferyl alc. acetyltransferase (CFAT), a member of the BAHD acyltransferase family, catalyzes the substrate of coniferyl alc. to coniferyl acetate, which is an important substrate for synthesizing eugenol. In a genome-wide anal., we found 90 PmBAHD genes that were phylogenetically clustered into five major groups with motif compositions relatively conserved in each cluster. The phylogenetic tree showed that the PmBAHD67-70 proteins were close to the functional CFATs identified in other species, indicating that these four proteins might function as CFATs. In this work, 2 PmCFAT genes, named PmCFAT1 and PmCFAT2, were cloned from P. mume ‘Sanlunyudie’, which has a strong fragrance. Multiple sequences indicated that PmCFAT1 contained two conserved domains, HxxxD and DFGWG, whereas DFGWG in PmCFAT2 was changed to DFGFG. The expression levels of PmCFAT1 and PmCFAT2 were examined in different flower organs and during the flowering stages of P. mume ‘Sanlunyudie’. The results showed that PmCFAT1 was highly expressed in petals and stamens, and this expression increased from the budding stage to the full bloom stage and decreased in the withering stage, consistent with the patterns of eugenol synthesis and emission. However, the peak of gene expression appeared earlier than those of eugenol synthesis and emission. In addition, the expression level of PmCFAT2 was higher in pistils and sepals than in other organs and decreased from the budding stage to the blooming stage and then increased in the withering stage, which was not consistent with eugenol synthesis. Subcellular localization anal. indicated that PmCFAT1 and PmCFAT2 were located in the cytoplasm and nucleus, while enzyme activity assays showed that PmCFAT1 is involved in eugenol biosynthesis in vitro. Overall, the results suggested that PmCFAT1, but not PmCFAT2, contributed to eugenol synthesis in P. mume.

PLoS One published new progress about Flower bud. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Application of Benzyl acetate.

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

Liu, Di published the artcileDiversity and dynamics of fungi during spontaneous fermentations and association with unique aroma profiles in wine, Formula: C11H22O2, the main research area is wine aroma spontaneous fermentation fungi diversity dynamics; Fungal microbiota; Microbial biogeography; Saccharomyces cerevisiae; Spontaneous fermentation; Wine.

Microbial ecol. is an integral part of an agricultural ecosystem and influences the quality of agricultural commodities. Microbial activity influences grapevine health and crop production, conversion of sugar to ethanol during fermentation, thus forming wine aroma and flavor. There are regionally differentiated microbial patterns in grapevines and must but how microbial patterns contribute to wine regional distinctiveness (terroir) at small scale (<100 km) is not well defined. Here we characterize fungal communities, yeast populations, and Saccharomyces cerevisiae populations during spontaneous fermentation using metagenomics and population genetics to investigate microbial distribution and fungal contributions to the resultant wine. We found differentiation of fungi, yeasts, and S. cerevisiae between geog. origins (estate/vineyard), with influences from the grape variety. Growth and dominance of S. cerevisiae during fermentation reshaped the fungal community and showed geog. structure at the strain level. Associations between fungal microbiota diversity and wine chems. suggest that S. cerevisiae plays a primary role in determining wine aroma profiles at a sub-regional scale. The geog. distribution at scales of less than 12 km supports that differential microbial communities, including the dominant fermentative yeast S. cerevisiae can be distinct in a local setting. These findings provide further evidence for microbial contributions to wine terroir, and perspectives for sustainable agricultural practices to maintain microbial diversity and optimize fermentation function to craft beverage quality. International Journal of Food Microbiology published new progress about Alternaria. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, Formula: C11H22O2.

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

Liu, Di published the artcileDiversity and dynamics of fungi during spontaneous fermentations and association with unique aroma profiles in wine, Computed Properties of 140-11-4, the main research area is wine aroma spontaneous fermentation fungi diversity dynamics; Fungal microbiota; Microbial biogeography; Saccharomyces cerevisiae; Spontaneous fermentation; Wine.

Microbial ecol. is an integral part of an agricultural ecosystem and influences the quality of agricultural commodities. Microbial activity influences grapevine health and crop production, conversion of sugar to ethanol during fermentation, thus forming wine aroma and flavor. There are regionally differentiated microbial patterns in grapevines and must but how microbial patterns contribute to wine regional distinctiveness (terroir) at small scale (<100 km) is not well defined. Here we characterize fungal communities, yeast populations, and Saccharomyces cerevisiae populations during spontaneous fermentation using metagenomics and population genetics to investigate microbial distribution and fungal contributions to the resultant wine. We found differentiation of fungi, yeasts, and S. cerevisiae between geog. origins (estate/vineyard), with influences from the grape variety. Growth and dominance of S. cerevisiae during fermentation reshaped the fungal community and showed geog. structure at the strain level. Associations between fungal microbiota diversity and wine chems. suggest that S. cerevisiae plays a primary role in determining wine aroma profiles at a sub-regional scale. The geog. distribution at scales of less than 12 km supports that differential microbial communities, including the dominant fermentative yeast S. cerevisiae can be distinct in a local setting. These findings provide further evidence for microbial contributions to wine terroir, and perspectives for sustainable agricultural practices to maintain microbial diversity and optimize fermentation function to craft beverage quality. International Journal of Food Microbiology published new progress about Alternaria. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Computed Properties of 140-11-4.

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

El Cadi, Hafssa published the artcilePhysico-chemical and phytochemical characterization of Moroccan wild jujube “”Zizyphus lotus (L.)”” fruit crude extract and fractions, COA of Formula: C9H18O2, the main research area is Zizyphus fruit physicochem property phytochem; Rhamnaceae; antioxidant activity; flavonoids; liquid chromatography; phenolic compounds; tannins.

Wild jujube “”Ziziphus lotus (L.) Desf.”” belongs to the Rhamnaceae family and is a traditionally herbaceous medicinal plant. It is very common in arid and semi-arid regions and is currently used for its antidiabetic, sedative, analgesic, anti-inflammatory and hypoglycemic activities. The aim of the present work was to characterize the physico-chem. properties and the phytochem. profile of wild jujube sample collected from the Guercif region, in order to determine the polyphenolic compounds and the antioxidant ability Analyses were carried out directly after the harvest for the determination of pH, refractive index, total soluble solid (°Brix), dry matter, sugar/acidity, total sugars, reducing sugars, as well as lipid and protein content. Results showed that the investigated fruit is acidic (pH 4.9 ± 0.23) and rich in sugars (80.2 g/100 g ± 3.81). The GC-MS anal. of the fruit revealed a number of volatile compounds, as many as 97, belonging to different chem. classes. The HPLC-DAD-ESI/MS anal. showed the presence of a total of 20 polyphenolic compounds in both EtOAc and MeOH-water extracts Among them, p-Hydroxybenzoic acid was the most abundant in the EtOAc extract (185.68μg/100 mg ± 0.5) whereas Quercetin 3-O-rhamnoside-7-O-glucoside was found in higher amounts in the MeOH-water extract (25.40μg/100 mg ± 0.5). These components have medical interest, notably for human nutrition, as well as health benefits and therapeutic effects. Therefore, Moroccan jujube “”Zizyphus lotus (L.)”” fruit may have potential industrial applications for food formulations.

Molecules published new progress about Analgesics. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, COA of Formula: C9H18O2.

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

El Cadi, Hafssa published the artcilePhysico-chemical and phytochemical characterization of Moroccan wild jujube “”Zizyphus lotus (L.)”” fruit crude extract and fractions, Product Details of C11H22O2, the main research area is Zizyphus fruit physicochem property phytochem; Rhamnaceae; antioxidant activity; flavonoids; liquid chromatography; phenolic compounds; tannins.

Wild jujube “”Ziziphus lotus (L.) Desf.”” belongs to the Rhamnaceae family and is a traditionally herbaceous medicinal plant. It is very common in arid and semi-arid regions and is currently used for its antidiabetic, sedative, analgesic, anti-inflammatory and hypoglycemic activities. The aim of the present work was to characterize the physico-chem. properties and the phytochem. profile of wild jujube sample collected from the Guercif region, in order to determine the polyphenolic compounds and the antioxidant ability Analyses were carried out directly after the harvest for the determination of pH, refractive index, total soluble solid (°Brix), dry matter, sugar/acidity, total sugars, reducing sugars, as well as lipid and protein content. Results showed that the investigated fruit is acidic (pH 4.9 ± 0.23) and rich in sugars (80.2 g/100 g ± 3.81). The GC-MS anal. of the fruit revealed a number of volatile compounds, as many as 97, belonging to different chem. classes. The HPLC-DAD-ESI/MS anal. showed the presence of a total of 20 polyphenolic compounds in both EtOAc and MeOH-water extracts Among them, p-Hydroxybenzoic acid was the most abundant in the EtOAc extract (185.68μg/100 mg ± 0.5) whereas Quercetin 3-O-rhamnoside-7-O-glucoside was found in higher amounts in the MeOH-water extract (25.40μg/100 mg ± 0.5). These components have medical interest, notably for human nutrition, as well as health benefits and therapeutic effects. Therefore, Moroccan jujube “”Zizyphus lotus (L.)”” fruit may have potential industrial applications for food formulations.

Molecules published new progress about Analgesics. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, Product Details of C11H22O2.

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

Park, Min-Sun published the artcileEvaluating Docking Methods for Prediction of Binding Affinities of Small Molecules to the G Protein βγ Subunits, Synthetic Route of 72835-26-8, the main research area is docking mol G protein betagamma subunit.

Several studies have suggested that disrupting interactions of the G protein βγ subunits with downstream binding partners might be a valuable study for pharmaceutical development. Recently, small mols. have been found which bind to Gβγ with high apparent affinity in an ELISA, have demonstrated selective inhibition of interactions of Gβγ with downstream signaling partners, and have been shown to increase antinociceptive effects of morphine and inhibit inflammation in vivo. In this paper we examine several docking and scoring protocols for estimating binding affinities for a set of 830 ligands from the NCI diversity set to the Gβ1γ2 subunit and compared these with IC50s measured in a competition ELISA with a high-affinity peptidic ligand. The best-performing docking protocol used a consensus score and ensemble docking and resulted in a 6-fold enrichment of high-affinity compounds in the top-ranked 5% of the ligand data set.

Journal of Chemical Information and Modeling published new progress about Analgesics. 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, Synthetic Route of 72835-26-8.

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

Franz, Roland published the artcileContamination levels in recollected PET bottles from non-food applications and their impact on the safety of recycled PET for food contact, Synthetic Route of 140-11-4, the main research area is contamination PET bottles food packaging genotoxicity toxicol; PET bottles; PET contaminants; exposure; food packaging; migration; non-food PET applications; non-intentionally added substances (NIAS); post-consumer polyethylene terephthalate (PET); recycling; safety.

PET beverage bottles have been recycled and safely reprocessed into new food contact packaging applications for over two decades. During recollection of post-consumer PET beverage bottles, PET containers from non-food products are inevitably co-collected and thereby enter the PET recycling feed stream. To explore the impact of this mixing on the safety-in-use of recycled PET (rPET) bottles, we determined the concentrations of post-consumer substances in PET containers used for a range of non-food product applications taken from the market. Based on the chem. nature and amounts of these post-consumer substances, we evaluated their potential carry-over into beverages filled in rPET bottles starting from different fractions of non-food PET in the recollection systems and taking worst-case cleaning efficiencies of super-clean recycling processes into account. On the basis of the Threshold of Toxicol. Concern (TTC) concept and Cramer classification tools, we present a risk assessment for potential exposure of the consumer to the identified contaminants as well as unidentified, potentially genotoxic substances in beverages. As a result, a fraction of 5% non-food PET in the recycling feed stream, which is very likely to occur in the usual recollection systems, does not pose any risk to the consumer. Our data show that fractions of up to 20%, which may sporadically be contained in certain, local recollection systems, would also not raise a safety concern.

Molecules published new progress about Antifreeze. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Synthetic Route of 140-11-4.

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

Hung, Pei-Hsuan published the artcileIn vitro and in silico genetic toxicity screening of flavor compounds and other ingredients in tobacco products with emphasis on ENDS, Computed Properties of 123-29-5, the main research area is genotoxicity flavor in silico analysis tobacco; DNA damage; QSAR; biomarkers; computational toxicology; electronic nicotine delivery systems; flavor; in vitro; in vitro genotoxicity; tobacco products.

Electronic nicotine delivery systems (ENDS) are regulated tobacco products and often contain flavor compounds Given the concern of increased use and the appeal of ENDS by young people, evaluating the potential of flavors to induce DNA damage is important for health hazard identification. In this study, alternative methods were used as prioritization tools to study the genotoxic mode of action (MoA) of 150 flavor compounds In particular, clastogen-sensitive (γH2AX and p53) and aneugen-sensitive (p-H3 and polyploidy) biomarkers of DNA damage in human TK6 cells were aggregated through a supervised three-pronged ensemble machine learning prediction model to prioritize chems. based on genotoxicity. In addition, in silico quant. structure-activity relationship (QSAR) models were used to predict genotoxicity and carcinogenic potential. The in vitro assay identified 25 flavors as pos. for genotoxicity: 15 clastogenic, eight aneugenic and two with a mixed MoA (clastogenic and aneugenic). Twenty-three of these 25 flavors predicted to induce DNA damage in vitro are documented in public literature to be in e-liquid or in the aerosols produced by ENDS products with youth-appealing flavors and names. QSAR models predicted 46 (31%) of 150 compounds having at least one pos. call for mutagenicity, clastogenicity or rodent carcinogenicity, 49 (33%) compounds were predicted neg. for all three endpoints, and remaining compounds had no prediction call.

Journal of Applied Toxicology published new progress about Biomarkers. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, Computed Properties of 123-29-5.

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

Hung, Pei-Hsuan published the artcileIn vitro and in silico genetic toxicity screening of flavor compounds and other ingredients in tobacco products with emphasis on ENDS, Related Products of esters-buliding-blocks, the main research area is genotoxicity flavor in silico analysis tobacco; DNA damage; QSAR; biomarkers; computational toxicology; electronic nicotine delivery systems; flavor; in vitro; in vitro genotoxicity; tobacco products.

Electronic nicotine delivery systems (ENDS) are regulated tobacco products and often contain flavor compounds Given the concern of increased use and the appeal of ENDS by young people, evaluating the potential of flavors to induce DNA damage is important for health hazard identification. In this study, alternative methods were used as prioritization tools to study the genotoxic mode of action (MoA) of 150 flavor compounds In particular, clastogen-sensitive (γH2AX and p53) and aneugen-sensitive (p-H3 and polyploidy) biomarkers of DNA damage in human TK6 cells were aggregated through a supervised three-pronged ensemble machine learning prediction model to prioritize chems. based on genotoxicity. In addition, in silico quant. structure-activity relationship (QSAR) models were used to predict genotoxicity and carcinogenic potential. The in vitro assay identified 25 flavors as pos. for genotoxicity: 15 clastogenic, eight aneugenic and two with a mixed MoA (clastogenic and aneugenic). Twenty-three of these 25 flavors predicted to induce DNA damage in vitro are documented in public literature to be in e-liquid or in the aerosols produced by ENDS products with youth-appealing flavors and names. QSAR models predicted 46 (31%) of 150 compounds having at least one pos. call for mutagenicity, clastogenicity or rodent carcinogenicity, 49 (33%) compounds were predicted neg. for all three endpoints, and remaining compounds had no prediction call.

Journal of Applied Toxicology published new progress about Biomarkers. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Related Products of esters-buliding-blocks.

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