Tag: M.W=150-200

Rajvanshi, Sandeep Kumar published the artcileIdentification of bioactive phytometabolites in essential oil of African marigold (Tagetes erecta L.) using FT-IR & DART-MS techniques, Category: esters-buliding-blocks, the main research area is Tagetes erecta essential oil bioactive phytometabolite FTIR DARTMS.

Tagetes erecta L. belongs to family Asteraceae, most widely used as ornamental plant, has cosmetic as well as medicines values. Since oil extracted from its plant parts for secondary metabolites present in the plant such as alkaloids, steroids, tannins and phenolic compounds, flavonoids, etc. Oil was extracted from flowers, as well as leaves marigold (Tagetes erecta L.) in fresh form and after processing by solvent extraction method using n-hexane as solvent. Samples were subjected to Fourier transform IR spectroscopy (FT-IR) where spectra of samples have shown the presence of major functional groups viz., alkanes, aromatic, phenols, aliphatic, nitro compounds and amines, etc at wavelength of 3400 to 3480 cm-1 (alc. & phenols), 2850 to 2990 cm-1 (alkanes), 1050 to 1200 cm-1 (aliphatic amines) and 720 to 890 cm-1 (aromatics). Presence of more number of peaks shows the presence of more number of bioactive compounds These samples were further validated by DART Mass Spectrometry where peak at m/z 136 correspond to terpenoids, 151 (ketone), 169 (phenols), 183 (alc.), etc. Presence of phenolic compound galic acid in the samples proves the antioxidant activity of the samples.

Annals of Plant Sciences published new progress about Aliphatic amines 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, Category: esters-buliding-blocks.

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

Rajabi, Mehdi published the artcileQSAR Models for Predicting Aquatic Toxicity of Esters Using Genetic Algorithm-Multiple Linear Regression Methods, Safety of Methyl decanoate, the main research area is Tetrahymena ester decyl acetate aquatic toxicity QSAR model; GA-MLR; Molecular descriptors; QSAR models; Tetrahymena pyriformis; toxicity of aliphatic esters; validation..

Esters are of great importance in industry, medicine, and space studies. Therefore, studying the toxicity of esters is very important. In this research, a Quant. Structure-Activity Relationship (QSAR) model was proposed for the prediction of aquatic toxicity (log 1/IGC50) of aliphatic esters towards Tetrahymena pyriformis using mol. descriptors. A data set of 48 aliphatic esters was separated into a training set of 34 compounds and a test set of 14 compounds A large number of mol. descriptors were calculated with Dragon software. The Genetic Algorithm (GA) and Multiple Linear Regression (MLR) methods were used to select the suitable descriptors and to generate the correlation models that relate the chem. structural features to the biol. activities. The predictive powers of the MLR models are discussed by using Leave-One-Out (LOO) cross-validation and external test set. The best QSAR model is obtained with R2 value of 0.899, Q2 LOO = 0.928, F = 137.73, RMSE = 0.263. The predictive ability of the GA-MLR model with two selected mol. descriptors is satisfactory and it can be used for designing similar group and predicting of toxicity (log 1/IGC50) of ester derivatives

Combinatorial Chemistry & High Throughput Screening published new progress about Aliphatic esters 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, Safety of Methyl decanoate.

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

Rajabi, Mehdi published the artcileQSAR Models for Predicting Aquatic Toxicity of Esters Using Genetic Algorithm-Multiple Linear Regression Methods, SDS of cas: 111-11-5, the main research area is Tetrahymena ester decyl acetate aquatic toxicity QSAR model; GA-MLR; Molecular descriptors; QSAR models; Tetrahymena pyriformis; toxicity of aliphatic esters; validation..

Esters are of great importance in industry, medicine, and space studies. Therefore, studying the toxicity of esters is very important. In this research, a Quant. Structure-Activity Relationship (QSAR) model was proposed for the prediction of aquatic toxicity (log 1/IGC50) of aliphatic esters towards Tetrahymena pyriformis using mol. descriptors. A data set of 48 aliphatic esters was separated into a training set of 34 compounds and a test set of 14 compounds A large number of mol. descriptors were calculated with Dragon software. The Genetic Algorithm (GA) and Multiple Linear Regression (MLR) methods were used to select the suitable descriptors and to generate the correlation models that relate the chem. structural features to the biol. activities. The predictive powers of the MLR models are discussed by using Leave-One-Out (LOO) cross-validation and external test set. The best QSAR model is obtained with R2 value of 0.899, Q2 LOO = 0.928, F = 137.73, RMSE = 0.263. The predictive ability of the GA-MLR model with two selected mol. descriptors is satisfactory and it can be used for designing similar group and predicting of toxicity (log 1/IGC50) of ester derivatives

Combinatorial Chemistry & High Throughput Screening published new progress about Aliphatic esters 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, SDS of cas: 111-11-5.

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

Kanter, Jean-Philippe published the artcileThe impact of hybrid yeasts on the aroma profile of cool climate Riesling wines, Product Details of C10H20O2, the main research area is Saccharomyces cerevisia aroma climate wine; Aroma; Citronellol (PubChem CID8842); Hotrienol (PubChem CID5366264); Hybrid yeasts; Isoamyl acetate (PubChem CID31276); Linalool (PubChem CID6549); Monoterpenes; Riesling; Saccharomyces cerevisiae var. bayanus; Saccharomyces kudriavzevii; Saccharomyces paradoxus; Sulphur dioxide (PubChem CID1119); Wine flavour; l-Malic acid (PubChem CID222656); α – Terpineol (PubChem CID, 17100).

The current study highlights the effects of intra- and interspecific hybrid yeasts of the genus Saccharomyces (S.) on the alc. fermentation and formation of aroma compounds in cool climate Riesling wines. Three different hybrid yeasts: S. cerevisiae x S. paradoxus (SC x SP), S. cerevisiae x S. kudriavzevii (SC x SK) and S. cerevisiae var. cerevisiae x S. cerevisiae var. bayanus (SC x SB) were investigated. The species S. cerevisiae var. bayanus (SB) was chosen as control variant. It has been demonstrated that the hybrid yeasts have the ability to preserve pos. properties while, suppressing undesired properties from the parental yeast species. The hybrid SC x SK showed an increase of desired acetate esters and monoterpenes. The concentrations of higher alcs. were higher in wines fermented by SC x SP, compared to the other variants. SC x SP fermentations resulted in decreased concentrations of L-malate and sulfites.

Food Chemistry: X published new progress about Esters Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (acetate). 106-32-1 belongs to class esters-buliding-blocks, name is Ethyl octanoate, and the molecular formula is C10H20O2, Product Details of C10H20O2.

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

Wang, Luyao published the artcileVolatile organic compounds of Hanseniaspora uvarum increase strawberry fruit flavor and defense during cold storage, HPLC of Formula: 111-11-5, the main research area is Hanseniaspora uvarum volatile organic compound flavor cold storage; GC‐MS; Hanseniaspora uvarum; defense‐related enzymes; strawberry; volatile organic compounds.

Volatile organic compounds (VOCs) of antagonistic yeasts are considered as environmental safe fumigants to promote the resistance and quality of strawberry (Fragaria ananassa). By GC-MS assays, VOCs of Hanseniaspora uvarum (H. uvarum) fumigated strawberry fruit showed increased contents of Me caproate (5.8%), Me octanoate (5.1%), and Me caprylate (10.9%) in postharvest cold storage. Possible mechanisms of H. uvarum VOCs involved in regulations of the defense-related enzymes and substances in strawberry were investigated during postharvest storage in low temperature and high humidity (2 ± 1°C, RH 90%-95%). Defense-related enzymes assays indicated H. uvarum VOCs stimulated the accumulation of CAT, SOD, POD, APX, PPO, and PAL and inhibited biosynthesis of MDA in strawberry fruit under storage condition. Moreover, the expression levels of related key enzyme genes, such as CAT, SOD, APX42, PPO, and PAL6, were consistently increased in strawberry fruit after H. uvarum VOCs fumigation.

Food Science & Nutrition (Hoboken, NJ, United States) published new progress about Alcohols, C6-10 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, HPLC of Formula: 111-11-5.

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

Tondini, Federico published the artcileLinking gene expression and oenological traits: Comparison between Torulaspora delbrueckii and Saccharomyces cerevisiae strains, Application of Ethyl octanoate, the main research area is Torulaspora Saccharomyces acetic acid alc fermentation esterase; BAP2; Indigenous yeast; Transcripts profile; Wine isolates.

Wine fermentations typically involve the yeast Saccharomyces cerevisiae. However, many other yeast species participate to the fermentation process, some with interesting oenol. traits. In this study the species Torulaspora delbrueckii, used occasionally in mixed or sequential fermentation with S. cerevisiae to improve wine sensory profile, was investigated to understand the physiol. differences between the two. Next generation sequencing was used to characterize the transcriptome of T. delbrueckii and highlight the different genomic response of these yeasts during growth under wine-like conditions. Of particular interest were the basic differences in the glucose fermentation pathway and the formation of aromatic and flavor compounds such as glycerol, esters and acetic acid. Paralog genes were missing in glycolysis and glycerol biosynthesis in T. delbrueckii. Results indicate the tendency of T. delbrueckii to produce less acetic acid relied on a higher expression of alc. fermentation related genes, whereas acetate esters were influenced by the absence of esterases, ATF1-2. Addnl., in the Δbap2 S. cerevisiae strain, the final concentration of short branched chain Et esters (SBCEEs) was related to branched chain amino acid (BCAA) uptake. In conclusion, different adaptation strategies are apparent for T. delbrueckii and S. cerevisiae yeasts, an understanding of which will allow winemakers to make better use of such microbial tools to achieve a desired wine sensory outcome.

International Journal of Food Microbiology 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, Application of Ethyl octanoate.

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

Javed, Hafiz Umer published the artcileDrying treatments change the composition of aromatic compounds from fresh to dried centennial seedless grapes, Recommanded Product: Ethyl nonanoate, the main research area is hexenal ethyl alc beta damascenone seedless grape drying; SPME-GS/MS (solid-phase microextraction condition-gas chromatography/mass spectrometry) 5; aromatic profile; centennial seedless; free-form volatile compounds; glycosidically bound-form volatile compound.

Raisin aroma is a vital sensory characteristic that determines consumers’ acceptance. Volatile organic compounds (VOCs) in fresh grapes, air-dried (AD), pre-treated air-dried (PAD), sun-dried (SD), and pre-treated sun-dried (PSD) raisins were analyzed, with 99 and 77 free- and bound-form compounds identified in centennial seedless grapes, resp. The hexenal, (E)-2- hexenal, 1-hexanol, Et alc., and Et acetate in free-form while benzyl alc., β-damascenone, gerenic acid in bound-form were the leading compounds Overall, the concentration of aldehydes, alcs., esters, acids, terpenoids, ketones, benzene, and phenols were abundant in fresh grapes but pyrazine and furan were identified in raisin. Out of 99 VOCs, 30 compounds had an odor active value above 1. The intensity of green, floral, and fruity aromas were quite higher in fresh grapes followed by AD-raisins, PAD-raisins, SD-raisins, and PSD-raisins. The intense roasted aroma was found in SD-raisins due to 2,6-diethylpyrazine and 3-ethyl-2,5-dimethylpyrazine. Among raisins, the concentration of unsaturated fatty acid oxidized and Maillard reaction volatiles were higher in SD-raisins and mainly contributed green, fruity and floral, and roasted aromas, resp.

Foods 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, Recommanded Product: Ethyl nonanoate.

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

Parish-Virtue, Katie published the artcileSynthesis and Use of Ethyl 6-Acetyloxyhexanoate as an Internal Standard: An Interdisciplinary Experiment for an Undergraduate Chemistry Laboratory, Quality Control of 106-32-1, the main research area is EAH synthesis aroma compound laboratory.

The combination of organic synthesis and anal. chem. into a related laboratory experiment is an excellent demonstration of the utility of making a compound to then be used further. Herein we describe an undergraduate laboratory experiment that involves the straightforward synthesis of an internal standard, Et 6-acetyloxyhexanoate, for the quantification of various aroma compounds in juice through GC-FID anal. In addition to the organic synthetic procedures of undertaking a reaction under reflux, separation, and extraction protocols followed by determining the purity of a synthesized compound, this experiment also facilitates the teaching of making standard solutions, using solid phase extraction, preparing samples, and performing and interpreting the results of GC-FID anal.

Journal of Chemical Education 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, Quality Control of 106-32-1.

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

Guerrera, Gina published the artcileThe potential interference of body products and substrates to the identification of ignitable liquid residues on worn clothing, Formula: C9H10O2, the main research area is forensic analysis worn clothing ignitable liquid residue GC MS.

The question of whether deposits on clothing as well as their chem. composition are being mistaken for ignitable fluids is a concern for forensic analysts. Body products and oil secretions can have similar chem. profiles to ignitable liquid residues (ILRs) as a result of comparable chem. compounds that may be found in both sources. This study investigated whether substrates of unworn and worn clothing, with endogenous body secretions and body products could interfere with ILR anal. Sample extraction was completed by passive headspace concentration with activated charcoal strips (ACS) and desorption with carbon disulfide followed by anal. with gas chromatog.-mass spectrometry (GC-MS). Results showed that some body products produce similar patterns to heavy petroleum distillates and most clothing contained components that are commonly found in ignitable liquids It was concluded that the clothing, body products and compounds released by the body all contribute to the GC-MS profile of worn clothing. These components can mimic or mask the presence of ILRs, however educated and experienced analysts would likely be able to differentiate these substrate patterns from ILRs.

Forensic Chemistry published new progress about Activated charcoal Role: ARU (Analytical Role, Unclassified), ANST (Analytical Study). 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Formula: C9H10O2.

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

Kim, Dongjoo published the artcileHealth-beneficial aroma and taste compounds in a newly developed kombucha using a Huanglongbing-tolerant mandarin hybrid, HPLC of Formula: 106-32-1, the main research area is health aroma taste kombucha Huanglongbing mandarin; HLB; Mandarin hybrid; aroma; healthy beverage; kombucha; taste.

Huanglongbing (HLB) is a destructive citrus greening disease; no com. applicable measures exist. ‘LB8-9’ Sugar Belle (SB), originally developed for the fresh market, is the most HLB-tolerant cultivar among com. available varieties. Due to the limited capacity of the fresh fruit market, there is a need to increase the demand for SB juice. Kombucha is a fermented tea beverage with black tea and sugar, and is considered a healthy drink with an increasing market. Therefore, we aim to study the potential of using SB juice in kombucha production Regular (black tea with no citrus juice added), Hamlin (black tea with Hamlin juice added), and SB kombucha (black tea with SB juice added) were prepared and analyzed to observe the composition of aroma and taste compounds in the kombuchas. Aroma and taste compounds in the kombuchas were analyzed using gas chromatog.-mass spectrometry/olfactometry and liquid chromatog.-triple quadrupole mass spectrometry, resp. For aroma compounds, SB kombucha was characterized by high concentrations of terpenes and their derivatives, which have mandarinlike aroma characteristics and health benefits such as antidiabetic and antioxidant effects. For taste compounds, SB kombucha contained higher amount of fructose and organic acids, which have the potential to increase the intensity of sweetness and sourness, and flavonoids. This would support the potential benefits of using SB to make kombucha. This study provides valuable information about the aroma and taste compounds in SB kombucha and its potential health benefits, compared with regular and Hamlin kombucha.

Journal of Food Science published new progress about Aliphatic alcohols Role: FFD (Food or Feed Use), BIOL (Biological Study), USES (Uses). 106-32-1 belongs to class esters-buliding-blocks, name is Ethyl octanoate, and the molecular formula is C10H20O2, HPLC of Formula: 106-32-1.

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