Esters-buliding-blocks

Tourneix, Fleur published the artcileAssessment of a defined approach based on a stacking prediction model to identify skin sensitization hazard, Product Details of C13H18O3, the main research area is defined approach stacking model skin sensitization sensitizer safety assessment; Defined approach; Hazard identification; In silico; In vitro; Risk assessment; Skin sensitization.

Skin sensitization is an important toxicol. endpoint in the safety assessment of chems. and cosmetic ingredients. Driven by ethical considerations and European Union (EU) legislation, its assessment has progressed from the reliance on traditional animal models to the use of non-animal test methods. It is generally accepted that the assessment of skin sensitization requires the integration of various non-animal test methods in defined approaches (DAs), to cover the mechanistic key events of the adverse outcomes pathway (AOP) (OECD, 2014). Several case studies for DAs predicting skin sensitization hazard or potency have been submitted to the OECD, including a stacking meta-model developed by L’Oreál Research & Innovation (OECD, 2017b; Del Bufalo et al., 2018; Nocairi et al., 2016). The present study evaluated the predictive performance of the defined approach integrating a stacking meta-model incorporating in silico, in chemico and in vitro assays, using the Cosmetics Europe (CE) skin sensitization database. Based on the optimized prediction cut-offs, the defined approach provided a hazard prediction for 97 chems. with a sensitivity of 91%, a specificity of 76% and accuracy of 86% (kappa of 0.67) against human skin sensitization hazard data and a sensitivity of 85%, specificity of 91% and accuracy of 87% (kappa of 0.67) against Local Lymph Node Assay (LLNA) hazard data. A comparison of the in vivo LLNA with human hazard data for the same 97 chems. showed a sensitivity of 92%, specificity of 51% and accuracy of 78% (kappa of 0.48). Thus, the defined approach showed a higher degree of concordance, as compared to the LLNA for predicting human skin sensitization hazard. Moreover, a comparison with the six DAs selected for evaluation of their predictivity in the study by Kleinstreuer et al. (2018) showed a similar high accuracy of 86% for 97 overlapping chems. The next step will be an independent evaluation of the DA for its integration in the performances based test guidelines for skin sensitization.

Toxicology In Vitro published new progress about Allergy. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Product Details of C13H18O3.

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

Bergal, Mathilde published the artcileIn vitro testing strategy for assessing the skin sensitizing potential of “”difficult to test”” cosmetic ingredients, Application of Hexyl 2-hydroxybenzoate, the main research area is skin sensitization cosmetic.

Before placing a new cosmetic ingredient on the market, manufacturers must establish its safety profile, in particular assessing the skin sensitization potential, which is a mandatory requirement for topical applications. Since the ban on animal testing in Europe, and its extension to many parts of the world, a battery of in vitro tests covering the key steps of the Adverse Outcome Pathway (AOP) for skin sensitization is recommended. To date, three in vitro methods are validated in the OECD guidelines (442C, 442D, 442E), and many others are under validation by OECD (2019) and ECVAM. However, there is still no official strategy. Some industrial manufacturers have proposed in vitro strategies with good predictivity, but their studies were mainly based on the testing of simple and “”easy to test”” substances. This work therefore focused on “”difficult to test”” ingredients with particular physicochem. properties (i.e. poorly water-soluble components) or with particular intrinsic properties placing them outside the applicability domains of most in vitro models (irritants or cytotoxic like surfactants, complex substances). Furthermore a particular focus was made on weak to moderate sensitizers. The objective was to develop a robust, quick and straightforward testing strategy enabling the evaluation of the skin sensitization potential of “”difficult to test”” ingredients. In this context, four in vitro test models were used: three validated methods and the Sens-Is assay, currently in the work plan of the OECD, chosen for its ability to overcome solubility issues and to discriminate irritants from sensitizers. 25 ingredients with particular physicochem. properties were evaluated, chosen among pos. or neg. sensitizers according to in vivo data (M&K and/or LLNA). Such ingredients, including cleansers, solubilizers, emulsifiers, emollients, active ingredients, preservatives, and antioxidants are indeed essential constituents of cosmetic and dermopharmaceutical formulations. The results anal. on each in vitro test demonstrated that the DPRA model was the less predictive on the chosen ingredients, resulting especially in many false neg. responses compared to animal studies, or being unsuited to the mode of action of the selected ingredients. On the contrary, the Sens-Is assay revealed a real capability to discriminate sensitizers from non-sensitizers. The two other models, KeratinoSensTM and h-CLAT, showed a lower ability to classify the materials correctly than in previously published studies, linked to the particular physicochem. and intrinsic properties of the chosen ingredients and the applicability domains of these in vitro tests. The KeratinoSensTM model tended to overestimate the sensitization potential of the tested ingredients, whereas the h-CLAT model tended to underestimate the sensitizers. Based on these results a new sequential testing strategy was set up combining 1 to 3 models to cover the main key events of the skin sensitization AOP. Sens-Is model, assessing the first two AOP Key Events with consideration of the ingredient dermal penetration, is chosen as a starting point. The approach is completed, depending on the first response, by the h-CLAT model, assessing Key Event 3, and then potentially KeratinoSensTM assessing Key Event 2, but with a more direct application mode. This new testing strategy increases the accuracy to 88% on the selected ingredients and minimizes the risk of a false neg. conclusion, which is crucial from the perspective of the ingredients′ users and cosmetic consumers.

Toxicology In Vitro published new progress about Allergy. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Application of Hexyl 2-hydroxybenzoate.

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

Balmaseda, Aitor published the artcileImpact of changes in wine composition produced by non-Saccharomyces on malolactic fermentation, Application of Ethyl octanoate, the main research area is Oenococcus Torulaspora Saccharomyces wine malolactic fermentation; Malolactic fermentation; Non-Saccharomyces; Oenococcus oeni; Wine.

Non-Saccharomyces yeasts have increasingly been used in vinification recently. This is particularly true of Torulaspora delbrueckii and Metschnikowia pulcherrima, which are inoculated before S. cerevisiae, to complete a sequential alc. fermentation This paper aims to study the effects of these two non-Saccharomyces yeasts on malolactic fermentation (MLF) carried out by two strains of Oenococcus oeni, under cellar conditions. Oenol. parameters, and volatile and phenolic compounds were analyzed in wines. The wines were tasted, and the microorganisms identified. In general, non-Saccharomyces created more MLF friendly conditions, largely because of lower concentrations of SO2 and medium chain fatty acids. The most favorable results were observed in wines inoculated with T. delbrueckii, that seemed to promote the development of O. oeni and improve MLF performance.

International Journal of Food Microbiology published new progress about Alleles. 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

ElMasry, Gamal published the artcileReal-time quality authentication of honey using atmospheric pressure chemical ionisation mass spectrometry (APCI-MS), Product Details of C9H18O2, the main research area is honey adulteration atm pressure chem ionization mass spectrometry.

The aim of this study was to use gas chromatog.-mass spectrometry (GC-MS) and APCI-MS techniques to detect adulteration in honey. The key volatile compounds in the headspace of the adulterated honey were marked by GC-MS and their representative fragment ions were utilized in scanning honey samples using the real-time APCI-MS system. The PLS models validated using independent data sets resulted in coefficient of the determination (Rp2) of 0.97 and 0.96 and root mean square error in prediction (RMSEP) of 2.62 and 2.45 for the GC-MS and APCI-MS data sets resp. The most efficient volatiles from GC-MS anal. and their corresponding fragment ions m/z from APCI-MS data anal. were then identified and used to develop new PLS models to predict the level of adulteration. The best PLS model gave Rp2 of 0.95 and RMEP of 2.60% in the independent validation set indicating that the model was very accurate in predicting the level of adulteration.

International Journal of Food Science and Technology published new progress about Alfalfa. 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

Kute, Vivek B. published the artcileConsequences of the first and second COVID -19 wave on kidney transplant recipients at a large Indian transplant centre, Application of 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, the main research area is coronavirus disease consequence neutrophil kidney transplant human India; COVID-19; first wave; kidney transplant recipients; second wave.

There is a scarcity of data comparing the consequences of first and second COVID-19 waves on kidney transplant recipients (KTRs) in India. We conducted a single-center retrospective study of 259 KTRs with COVID-19 to compare first wave (March 15-Dec. 31 2020, n = 157) and second wave (Apr. 1-May 31 2021, n = 102). KTRs during second wave were younger (43 vs. 40 years; p-value .04) and also included paediatric patients (0 vs. 5.9%; p-value .003). Symptoms were milder during the second wave (45 vs. 62.7%; p-value .007); COVID-19 pos. patients had less frequent cough (32 vs. 13.8%; p-value .001), fever was less frequent (58 vs. 37%; p-value .001), and we observed fewer co-morbidities (11 vs. 20.6%; p-value .04). The percentages of neutrophils (77 vs. 83%; p-value .001) and serum ferritin (439 vs. 688; p-value .0006) were higher during second wave, while lymphocyte counts were reduced (20 vs. 14%; p-value .0001). Hydroxychloroquine (11 vs. 0%; p-value .0001) and tocilizumab (7 vs. 0%; p-value .004) were more frequently prescribed during first wave, while utilization of dexamethasone (6 vs. 27%; p-value .0001) and remdesivir (47 vs. 65%; p-value .03) increased during the second wave. Mucormycosis (1.3 vs. 10%; p-value .01) and ICU admissions (20 vs. 37.2%; p-value .002) were more frequent during second wave. The 28-day mortality rate (9.6 vs. 10%; p-value 1) was not different. There has been a different clin. spectrum of COVID-19 amongst KTR with similar mortality between the two waves at a large Indian transplant center.

Nephrology published new progress about Ageusia. 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, Application of 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate.

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

Li, Wenke published the artcileHf-based metal organic frameworks as bifunctional catalysts for the one-pot conversion of furfural to γ-valerolactone, Computed Properties of 539-88-8, the main research area is hafnium metal organic framework bifunctional catalyst furfural valerolactone.

One-pot conversion of furfural to the target product γ-valerolactone (GVL) is a challenging and meaningful part of biomass exploitation. Development of heterogeneous catalysts with both Bronsted and Lewis acid properties has proved to be promising and useful because they offer an efficient way to tandem cascade reactions from furfural to GVL. Herein, we successfully synthesized sulfated DUT-67(Hf), a novel bifunctional catalyst, via a post-synthetic modification method. The prepared sulfated DUT-67(Hf) was characterized by XRD, SEM, TEM, N2 adsorption-desorption, Elemental (N, C, H, S) analyses, situ IR spectra of pyridine adsorptions, XPS, FT-IR, TG, and NH3-TPD. The acidity of the catalysts could be adjusted by submersion in different concentrations of aqueous sulfuric acid, giving 0.01 mol/L sulfuric acid for 0.42 mmol/g acidity to 0.1 mol/L sulfuric acid for 2.16 mmol/g acidity. Sulfated DUT-67(Hf) possessed by 0.06 mol/L aqueous sulfuric acid exhibited optimal catalytic activity and showed an 87.1% yield of GVL under the conditions of 180 °C after 24 h of reaction. Moreover, the mechanism of introducing Bronsted acid sites into DUT-67(Hf) and the better hydrogen donors was also investigated through contrasting experiments

Molecular Catalysis published new progress about Acidity. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Computed Properties of 539-88-8.

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

Dai, Jinhang published the artcileAdjusting the acidity of sulfonated organocatalyst for the one-pot production of 5-ethoxymethylfurfural from fructose, Recommanded Product: Ethyl 4-oxopentanoate, the main research area is sulfonated polymer organocatalyst fructose conversion ethoxymethylfurfural production.

We report a novel solid organocatalyst, a double-hydrogen-bonded sulfonated polymer catalyst (D-SPC), for the cascade conversion of fructose to 5-ethoxymethylfurfural (EMF) with a highest yield of 68.8 mol% and good catalyst recyclability. We demonstrate that the treatment of a sulfonated nitrogen-containing polymer catalyst (SPC) with dihydroxy acetone (DHA) mols. generates new double hydrogen-bonds (H-bonds) between the ring-attached sulfonic acid groups and DHA by deconstructing the existing H-bonds between the sulfonic acid groups and imine/amine nitrogens of the SPC, which is confirmed by FT-IR spectroscopy, elemental anal., 1H MAS and 13C cross-polarization MAS NMR, XPS, and quantum chem. calculations The 31P MAS NMR, pHsurface, and NH3-TPD of the catalysts reveal the weakening of acidity strength due to the stronger double H-bonding on the D-SPC. Notably, we figure out the inverse relationship between the acidity strength of the catalysts and the EMF yield in the one-pot fructose-to-EMF conversion, wherein the use of weaker acid catalysts accelerates the fructose dehydration while decelerating the side-reaction of furan ring opening, therefore avoiding the neg. influence of water on the tandem reactions. Moreover, the existence of stable double H-bonds contributes to the good catalyst recyclability due to the stabilization of sulfonic acid groups. The acidic property of the solid catalysts could be adjusted by varying the DHA dosage and the preparation conditions of the SPC (i.e., monomer ratio and oxidant dosage), resp. We show that the solid acid catalyst with weaker acidity strength and suitable acidity d. (ca. 2.5 mmol g-1) is favorable for the one-pot synthesis of EMF directly from fructose. This work highlights the application of novel sulfonated polymer catalysts with adjustable acidic property for the highly selective production of EMF, a liquid biofuel candidate, from biomass-derived carbohydrates.

Catalysis Science & Technology published new progress about Acidity. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Recommanded Product: Ethyl 4-oxopentanoate.

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

Scott, Gabrielle published the artcileExploring Plant Performance, Fruit Physicochemical Characteristics, Volatile Profiles, and Sensory Properties of Day-Neutral and Short-Day Strawberry Cultivars Grown in Texas, Application of Ethyl 3-hydroxybutanoate, the main research area is strawberry cultivar volatile profile sensory physicochem Texas; Fragaria × ananassa; Texas strawberry; descriptive sensory analysis; strawberry cultivation; strawberry flavor; strawberry volatiles.

To assist increasing annual acreage of Texas-grown (U.S.A.) strawberries, it is essential to select cultivars with excellent plant and fruit quality characteristics suitable to the diverse environments. This study assessed multiple traits of 10 strawberry cultivars grown under high tunnels. A significant difference (p ≤ 0.05) was observed for all traits, which possessed a wide variability of metabolites. Plant anal. (number of live plants, plant vigor, and harvest yield) indicated that the yield ranged from 226 to 431 g/plant, pos. correlated to plant vigor. Fruit physicochem. characteristic anal., including red color (absorbance at 500 nm) and taste-associated indicators [°Brix, titratable acidity (TA), and total soluble solids (TSS)/TA], showed that °Brix and TSS/TA ranged from 8.0 to 12.9 and from 9.1 to 15.3, resp. More than 300 volatiles were identified using solid-phase microextraction-gas chromatog.-mass spectrometry, and total volatiles varied 1.5 times with high variance of individual compounds between cultivars. Descriptive sensory anal. indicated that strawberry flavor was pos. associated with sensory attributes of sweetness, jammy, fruity, buttery, fresh, and creamy while neg. related to bitterness, astringency, and sourness. Partial least squares regression indicated that strawberry flavor was highly correlated with sweet taste and volatile composition No specific relationship between these traits and day-neutral or June-bearing varieties was identified. Ideal cultivars for Texas growing conditions with superior and balanced flavor qualities were Albion, Sweet Charlie, Camarosa, Camino Real, and Chandler.

Journal of Agricultural and Food Chemistry published new progress about Acidity. 5405-41-4 belongs to class esters-buliding-blocks, name is Ethyl 3-hydroxybutanoate, and the molecular formula is C6H12O3, Application of Ethyl 3-hydroxybutanoate.

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

Scott, Gabrielle published the artcileExploring Plant Performance, Fruit Physicochemical Characteristics, Volatile Profiles, and Sensory Properties of Day-Neutral and Short-Day Strawberry Cultivars Grown in Texas, Computed Properties of 140-11-4, the main research area is strawberry cultivar volatile profile sensory physicochem Texas; Fragaria × ananassa; Texas strawberry; descriptive sensory analysis; strawberry cultivation; strawberry flavor; strawberry volatiles.

To assist increasing annual acreage of Texas-grown (U.S.A.) strawberries, it is essential to select cultivars with excellent plant and fruit quality characteristics suitable to the diverse environments. This study assessed multiple traits of 10 strawberry cultivars grown under high tunnels. A significant difference (p ≤ 0.05) was observed for all traits, which possessed a wide variability of metabolites. Plant anal. (number of live plants, plant vigor, and harvest yield) indicated that the yield ranged from 226 to 431 g/plant, pos. correlated to plant vigor. Fruit physicochem. characteristic anal., including red color (absorbance at 500 nm) and taste-associated indicators [°Brix, titratable acidity (TA), and total soluble solids (TSS)/TA], showed that °Brix and TSS/TA ranged from 8.0 to 12.9 and from 9.1 to 15.3, resp. More than 300 volatiles were identified using solid-phase microextraction-gas chromatog.-mass spectrometry, and total volatiles varied 1.5 times with high variance of individual compounds between cultivars. Descriptive sensory anal. indicated that strawberry flavor was pos. associated with sensory attributes of sweetness, jammy, fruity, buttery, fresh, and creamy while neg. related to bitterness, astringency, and sourness. Partial least squares regression indicated that strawberry flavor was highly correlated with sweet taste and volatile composition No specific relationship between these traits and day-neutral or June-bearing varieties was identified. Ideal cultivars for Texas growing conditions with superior and balanced flavor qualities were Albion, Sweet Charlie, Camarosa, Camino Real, and Chandler.

Journal of Agricultural and Food Chemistry published new progress about Acidity. 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

Scott, Gabrielle published the artcileExploring Plant Performance, Fruit Physicochemical Characteristics, Volatile Profiles, and Sensory Properties of Day-Neutral and Short-Day Strawberry Cultivars Grown in Texas, Related Products of esters-buliding-blocks, the main research area is strawberry cultivar volatile profile sensory physicochem Texas; Fragaria × ananassa; Texas strawberry; descriptive sensory analysis; strawberry cultivation; strawberry flavor; strawberry volatiles.

To assist increasing annual acreage of Texas-grown (U.S.A.) strawberries, it is essential to select cultivars with excellent plant and fruit quality characteristics suitable to the diverse environments. This study assessed multiple traits of 10 strawberry cultivars grown under high tunnels. A significant difference (p ≤ 0.05) was observed for all traits, which possessed a wide variability of metabolites. Plant anal. (number of live plants, plant vigor, and harvest yield) indicated that the yield ranged from 226 to 431 g/plant, pos. correlated to plant vigor. Fruit physicochem. characteristic anal., including red color (absorbance at 500 nm) and taste-associated indicators [°Brix, titratable acidity (TA), and total soluble solids (TSS)/TA], showed that °Brix and TSS/TA ranged from 8.0 to 12.9 and from 9.1 to 15.3, resp. More than 300 volatiles were identified using solid-phase microextraction-gas chromatog.-mass spectrometry, and total volatiles varied 1.5 times with high variance of individual compounds between cultivars. Descriptive sensory anal. indicated that strawberry flavor was pos. associated with sensory attributes of sweetness, jammy, fruity, buttery, fresh, and creamy while neg. related to bitterness, astringency, and sourness. Partial least squares regression indicated that strawberry flavor was highly correlated with sweet taste and volatile composition No specific relationship between these traits and day-neutral or June-bearing varieties was identified. Ideal cultivars for Texas growing conditions with superior and balanced flavor qualities were Albion, Sweet Charlie, Camarosa, Camino Real, and Chandler.

Journal of Agricultural and Food Chemistry published new progress about Acidity. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Related Products of esters-buliding-blocks.

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