Month: December 2022

Pinto, Joana published the artcileCharacterization of chemical compounds susceptible to be extracted from cork by the wine using GC-MS and 1H NMR metabolomic approaches, Application In Synthesis of 124-76-5, the main research area is wine maturation cork extractable compound geog origin; 1-Terpinen-4-ol (PubChem CID: 11230); Camphene (PubChem CID: 6616); Castalagin (PubChem CID: 168165); Cork; Friedelin (PubChem CID: 91472); GC-MS; Geographical origin; Metabolomics; NMR spectroscopy; Polyphenols; Pyrogallol (PubChem CID: 1057); Quinic acid (PubChem CID: 6508); Sitost-4-en-3-one (PubChem CID: 5484202); Vescalagin (PubChem CID: 5458626); Volatile compounds; o-Cymene (PubChem CID: 10703); trans-3-Pinanone (PubChem CID: 11038); trans-Squalene (PubChem CID: 638072).

This work presents a metabolomic study of cork by GC-MS and 1H-NMR spectroscopy to characterize compounds susceptible to be extracted from cork by the wine in an attempt to find a relationship between the content of these compounds and the geog. origin of cork. Cork from eleven geog. regions was studied, five from Portugal and six from Spain. Unsupervised pattern recognition techniques unveiled three main clusters of regions according to their chem. similarity but not related with geog. proximity. Nineteen compounds were found to be responsible for the clusters, including terpenes (trans-squalene, friedelin, camphene, trans-3-pinanone, 1-terpinen-4-ol, two sesquiterpenes), polyphenols (vescalagin, castalagin), among others (pyrogallol, glucosan, sitost-4-en-3-one, o-cymene, quinic acid, five unknowns). These preliminary results unveiled the potential for a more efficient selection of cork planks for stoppers production based on the compounds susceptible to be extracted from cork by the wine.

Food Chemistry published new progress about Cluster analysis. 124-76-5 belongs to class alcohols-buliding-blocks, name is rel-(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, and the molecular formula is C10H18O, Application In Synthesis of 124-76-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Saavedra Moreno, Yesenia published the artcileClassification of flotation frothers – A statistical approach, Application of 3-Pentanol, the main research area is frother flotation classification statistical approach.

This paper presents a statistical study to classify non-ionic frothers based on seven frother characteristics, mol. weight (MW), hydrophile-lipophile balance, critical coalescence concentration, the min. sauter mean diameter, dynamic foam stability index, static foam stability index, and decay rate index. A principal component anal. (PCA) was conducted to transform the seven frother characteristics into uncorrelated variables called principal components. The first principal component already explained 64.4% of the variance, and the addition of the second and third principal components explained 92.1% of the variance. A hierarchical cluster anal. (HCA) was conducted using the first three principal components. The Euclidean distance, which is the square distance between the standardized coordinates of two frothers in a generalized parameter space, was calculated for all frothers. At a Euclidean distance of 4, frothers were grouped into four groups, in which group 1 consisted of the most powerful frothers that produced stable foams and group 4 was composed of weakest frothers.

Chemical Engineering Science published new progress about Cluster analysis. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Application of 3-Pentanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hosseini, Seyed Saeid published the artcileOptimization and characterization of pectin extracted from sour orange peel by ultrasound assisted method, HPLC of Formula: 59-23-4, the main research area is Citrus peel pectin ultrasound assisted method; Monosaccharide composition; Optimization; Pectin; Sour orange; Ultrasound.

In this work, a Box-Behnken design (BBD) with three variables (ultrasound power, irradiation time and pH) in three levels was applied for pectin extraction optimization. The optimization process showed that the maximum extraction yield was 28.07 ± 0.67% in ultrasound power of 150 W, irradiation time of 10 min and pH of 1.5 (as optimum conditions). In these conditions, ash, moisture and protein contents of SOPP were 1.89 ± 0.51, 8.81 ± 0.68 and 1.45 ± 0.23%, resp. HPLC anal. indicated that 65.3% of the extracted pectin was galacturonic acid and approx. 72% of total neutral sugars was galactose. The optimized pectin had a total phenolic content of 39.95 ± 3.13 mg gallic acid equivalent/g pectin, the surface tension of 46.56 ± 0.23 and 42.14 ± 0.61 mN/m in concentrations of 0.1 and 0.5%w/v, water holding capacity and oil holding capacity of 3.10 ± 0.12 and 1.32 ± 0.21 g water or oil/g pectin with a suitable emulsifying and antioxidant properties. In addition, SOPP with degree of esterification of 6.77 ± 0.43% was classified as low methoxyl pectin, which confirmed by FTIR and 1H NMR anal.

International Journal of Biological Macromolecules published new progress about Citrus aurantium. 59-23-4 belongs to class alcohols-buliding-blocks, name is (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal, and the molecular formula is C6H12O6, HPLC of Formula: 59-23-4.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhang, Wen-Juan published the artcileAntagonistic storage potential of Tagetes minuta, Eupatorium fortunei and Ocimum basilicum oils with volatile secondary metabolites against Tribolium castaneum and Lasioderma serricorne, Computed Properties of 124-76-5, the main research area is Tagetes Eupatorium Ocimum Tribolium Lasioderma volatile secondary metabolite.

Antagonistic storage potential of Tagetes minuta Linnaeus, Eupatorium fortunei Turcz. and Ocimum basilicum L. volatile oils hydrodistillated with main secondary metabolites against two storage pests, Tribolium castaneum and Lasioderma serricorne adults were evaluated. More than 95% volatile secondary metabolites obtained at different hydrodistillation time were identified by gas chromatog.-mass spectrometry (GC-MS), and analyzed with principal component anal. (PCA) and orthogonal partial least squares discriminant anal. (OPLS-DA). Further insecticidal assay exhibited interesting results that T. minuta oil showed the strongest fumigant toxicity against both T. castaneum (LC50 = 6.68 mg/L air) and L. serricorne (LC50 = 3.13 mg/L air) among the three essential oils. As one of the main volatile secondary metabolites, methylthymol was found to possess more powerful fumigant (LC50 = 2.42 mg/L air) and contact toxicity (LD50 = 5.43 μg/adult) against T. castaneum. While, precocene I exhibited the strongest insecticidal toxicity on L. serricorne with the LC50 value of 0.88 mg/L air and LD50 of 3.46 μg/adult, resp. During the repellent assay, T. minuta oil showed the same repellent rate against both T. castaneum and L. serricorne at the highest concentration of 78.63 nL/cm2. The results proved that the essential oils as well as the main volatile secondary metabolites have potential to be developed into novel natural botanical resources on antagonistic storage with traditional Chinese medicine (TCM).

Industrial Crops and Products published new progress about Chinese medicine. 124-76-5 belongs to class alcohols-buliding-blocks, name is rel-(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, and the molecular formula is C10H18O, Computed Properties of 124-76-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Feng, Li published the artcileA novel strategy based on targeted cellular metabolomics for quantitatively evaluating anti-aging effect and screening effective extracts of Erzhi Wan, Category: alcohols-buliding-blocks, the main research area is Erzhi wan antiaging targeted cellular metabolomics quant efficacy evaluation; Analytic hierarchy process; Quantitative effect evaluation; Receiver operating characteristic curve; Targeted cellular metabolomics; Traditional Chinese medicine.

The complexity of ingredients in traditional Chinese medicine (TCM) makes it challenging to clarify its efficacy in an acceptable and scientific approach. The present study was aimed to use quantification results from targeted cellular metabolomics to evaluate anti-aging efficacy of a famous Chinese medicine formula, Erzhi Wan (EZW), and screen possible effective extracts, depending on the developed strategy integrating multivariate receiver operating characteristic (ROC) curve and analytic hierarchy process (AHP). In this study, senescent NRK cells induced by D-galactose were treated with drug-containing serum of EZW and four kinds of extracts (petroleum ether, Et acetate, butanol and water). Intermediates of two major metabolic pathways for energy synthesis, tricarboxylic acid (TCA) cycle and glycolysis, were accurately quantified by GC-MS/MS to identify discriminate metabolites for clarifying therapeutic mechanism of EZW based on multivariate statistical anal. Senescent and non-senescent cells were successfully distinguished using these metabolites by ROC curve anal. Next, these metabolites were used as evaluation indexes to quant. reflect different effect of EZW and its extracts, according to the role of them in distinguishing groups and in conjunction with AHP. In vitro detection of senescence-associated β-galactosidase (SA-β-gal) activity was used to verify the reliability of evaluation results. The reversal after treatment of drug-containing serum of EZW and extracts was observed, and the petroleum ether extract might be the potential active extract responsible for the major anti-aging effect of EZW, which was in agreement with in vitro experiments Altogether, metabolomics was a powerful approach for evaluation efficacy and elucidation action mechanisms of TCM. The integrated evaluation strategy in this paper with properties of high practicality, feasibility and effectivity was expected to provide a new insight into comprehensive and quant. efficacy evaluation.

Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences published new progress about Chinese medicine. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhou, Ting published the artcileCharacterization of polysaccharide structure in Citrus reticulate ′Chach′ peel during storage and their bioactivity, Recommanded Product: (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal, the main research area is Citrus polysaccharide arabinogalacturonan pectin storage; Glycosidic linkage; Immunomodulatory activity; Molecular weight; NMR; Pectin.

The peel of Citrus reticulate ′Chachiennsis′ (Chachi) is widely accepted as a functional food. It is generally recognized that its health benefits are dependent on storage time. However, the chems. responsible for this phenomonon remain unclear. As bioactive polysaccharides are dominant in Chachi, Chachi polysaccharides with various storage times (5-20 years) were prepared The monosaccharide composition was analyzed by GC-MS. NMR data revealed that Chachi polysaccharides were mainly consisted of arabinogalacturonan and another pectin with side chain of →4)-β-D-Galp-(1 → . α-L-Araf-(1→, →5)-α-L-Araf-(1→, →4)-α-D-GalpA-(1→, →4)-α-D-GalpAMe-(1→, →4)-β-D-Galp-(1→ and →4)-β-D-Glcp-(1→ were detected. The mol. weight of Chachi polysaccharides decreased along with the extension of storage time. However, the basic structure characteristics remained stable. The immumomodulatory activities of Chachi polysaccharides were improved as the storage time extended. The change of mol. weight was responsible for the improved immunomodulatory activity. The results explained how polysaccharides contributed to the enhanced health benefits of Chachi during storage.

Carbohydrate Research published new progress about Chinese medicine. 59-23-4 belongs to class alcohols-buliding-blocks, name is (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal, and the molecular formula is C6H12O6, Recommanded Product: (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yang, Chihae published the artcileDo Similar Structures Have Similar No Observed Adverse Effect Level (NOAEL) Values? Exploring Chemoinformatics Approaches for Estimating NOAEL Bounds and Uncertainties, Related Products of alcohols-buliding-blocks, the main research area is adverse NOAEL chemoinformatic uncertainty.

Determination of the no observed adverse effect level (NOAEL) of a substance is an important step in safety and regulatory assessments. Application of conventional in silico strategies, for example, quant. structure-activity relationship (QSAR) models, to predict NOAEL values is inherently problematic. Whereas QSAR models for well-defined toxicity endpoints such as Ames mutagenicity or skin sensitization can be developed from mechanistic knowledge of mol. initiating events and adverse outcome pathways, QSAR is not appropriate for predicting a NOAEL value, a concentration at which “”no effect”” is observed This paper presents a chemoinformatics approach and explores how it can be further refined through the incorporation of toxicity endpoint-specific information to estimate confidence bounds for the NOAEL of a target substance, given exptl. determined NOAEL values for one or more suitable analogs. With a sufficiently large NOAEL database, we analyze how a difference in NOAEL values for pairs of structures depends on their pairwise similarity, where similarity takes both structural features and physicochem. properties into account. The width of the estimate NOAEL confidence interval is proportional to the uncertainty. Using the new threshold of toxicol. concern (TTC) database enriched with antimicrobials, examples are presented to illustrate how uncertainty decreases with increasing analog quality and also how NOAEL bounds estimation can be significantly improved by filtering the full database to include only substances that are in structure categories relevant to the target and analog.

Chemical Research in Toxicology published new progress about Chemoinformatics. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Deed, Rebecca C. published the artcileThe role of yeast ARO8, ARO9 and ARO10 genes in the biosynthesis of 3-(methylthio)-1-propanol from L-methionine during fermentation in synthetic grape medium, Product Details of C4H10OS, the main research area is Saccharomyces fermentation synthetic grape medium methionol L methionine.

3-(Methylthio)-1-propanol (methionol), produced by yeast as an end-product of L-methionine (L-Met) catabolism, imparts off-odours reminiscent of cauliflower and potato to wine. Saccharomyces cerevisiae ARO genes, including transaminases Aro8p and Aro9p, and decarboxylase Aro10p, catalyze two key steps forming methionol via the Ehrlich pathway. We compared methionol concentrations in wines fermented by single Δaro8, Δaro9 and Δaro10 deletants in lab strain BY4743 vs. wine strain Zymaflore F15, and F15 double- and triple-aro deletants vs. single-aro deletants, using headspace-solid phase microextraction coupled with gas chromatog.-mass spectrometry. Deletion of two or more aro genes increased growth lag phase, with the greatest delay exhibited by F15 Δaro8 Δaro9. The single Δaro8 deletion decreased methionol by 44% in BY4743 and 92% in F15, while the Δaro9 deletion increased methionol by 46% in F15 but not BY4743. Single deletion of Δaro10 had no effect on methionol. Unexpectedly, F15 Δaro8 Δaro9 and F15 Δaro8 Δaro9 Δaro10 produced more methionol than F15 Δaro8. In the absence of Aro8p and Aro9p, other transaminases may compensate or an alternative pathway may convert methanethiol to methionol. Our results confirm that Ehrlich pathway genes differ greatly between lab and wine yeast strains, impacting downstream products such as methionol.

FEMS Yeast Research published new progress about Cell enlargement. 505-10-2 belongs to class alcohols-buliding-blocks, name is 3-(Methylthio)propan-1-ol, and the molecular formula is C4H10OS, Product Details of C4H10OS.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Tang, Longhao published the artcileEffects of modified carbon nanotubes with different sizes on properties of epoxy shape memory polymers, SDS of cas: 7575-23-7, the main research area is carbon nanotube epoxy shape memory polymer property.

Shape memory polymers (SMPs) have occupied an important role in material application, in which the contribution of various fillers on the enhancement of their low mech. and thermal properties is indispensable. Lots of excellent researches on carbon nanotubes improving comprehensive performance have been accomplished, while few comparative studies about carbon nanotubes with different sizes. In the present study, epoxy shape memory composites of multi-walled carbon nanotubes/epoxy matrix (MWCNTs/epoxy) were prepared, in which MWCNTs with different sizes modified through epoxidation act as enhancement filler. The results indicated that MWCNTs with smaller size possess an efficient effect on improving mech. properties, and MWCNTs with larger size achieve higher enhancement on increasing heat resistance as the filler content is low (0.1%, 0.2%). Furthermore, the effect of MWCNTs on shape recovery ratio and shape recovery speed of composites has also been systematically investigated.

Polymer Composites published new progress about Carbon nanotubes. 7575-23-7 belongs to class alcohols-buliding-blocks, name is Pentaerythritol tetra(3-mercaptopropionate), and the molecular formula is C17H28O8S4, SDS of cas: 7575-23-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Tonga, Murat published the artcileA facile strategy for the development of n-type carbon nanotube composites with tunable thermoelectric properties via thiol-ene chemistry, HPLC of Formula: 7575-23-7, the main research area is thiolene n type carbon nanotube composite thermoelec property.

This work exploits thiol-ene chem. for the development of carbon nanotubes (CNTs) -based, solution-processed, and flexible thermoelec. (TE) composites. A systematic study was implemented by optimizing many aspects: (i) use of π-conjugated vs non-conjugated linkers, (ii) amount and type of CNTs (SWNT vs MWNT) in the composite, and (iii) doping. The resulting samples revealed that the materials exhibited n-type semiconducting behavior without requiring a doping process and attained power factors (PF) up to 1.1 μW m-1 K-2. It was also found that the composites made with non-conjugated linkers showed better TE performance than that of π-conjugated linkers. Besides n-type materials, this methodol. is also capable of producing p-type materials, and n-type materials can also convert to p-type upon doping exposure. A variety of distinct surface morphologies with segregated structures were observed on SEM (SEM). The methodol. which has been benefited here relies on the factors beyond just the blend composition or type of CNTs used, including the specific structure of the linkers, doping process, and the morphol. resulting from the crosslinking composites.

Polymer published new progress about Carbon nanotubes. 7575-23-7 belongs to class alcohols-buliding-blocks, name is Pentaerythritol tetra(3-mercaptopropionate), and the molecular formula is C17H28O8S4, HPLC of Formula: 7575-23-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts