Month: December 2022

Disdier, Zoe published the artcileEffect of solutes structure and pH on the n-octanol/water partition coefficient of ionizable organic compounds, Name: n-Octanol, the main research area is review solute pH noctanol water ionizable organic compound; Carboxylic acids; Emerging organic contaminant; Ionizable compounds; Partition coefficient; Zwitterion; n-octanol.

Liquid-liquid partition coefficient is a useful tool to predict biol. and environmental fate of organic compounds, for example bioaccumulation or toxicity of lipophilic contaminants. Conversely, the partitioning of ionizable compounds is poorly studied in contrast to that of neutral compounds Yet, such topic deserves attention, since numerous organic contaminants are ionizable as well as their degradation products. Hence, the contribution of charged species has to be considered in order to model accurately the mass balance or partition of ionizable compounds In this context, we investigated the liquid-liquid partition of 13 ionizable compounds (oxalic acid, histidine, benzimidazole, etc.), covering various classes of compounds (carboxylic acids, amino-acids, etc.). The n-octanol/water partition coefficient was measured from pH 1 up to 13, in order to fully gather the distribution of both neutral and charged species. Empirical models describing these results are reviewed and partition parameters adjusted for charged species. The study of benzoic acid derivatives (benzoic, salicylic, ortho- and iso-phthalic acids) provides insights on the influence of chem. groups on the partitioning. In the case of tryptophan, the use of acid/base microconstants allowed to estimate the partition of both the zwitterion and its neutral tautomer. Despite a major zwitterionic form (log PZ(tryptophan) = -1.58 ± 0.30), the minor but neutral tautomer (log PN(tryptophan) = +0.03 ± 0.30) drives the partition equilibrium Overall, the provided data may be useful to assess the retention of contaminants, its dependency on pH and salinity variations, and thus understanding their environmental fate. Such data may also be useful as well for mol. simulation involving solvation of organic ions in aqueous and non-aqueous solvents.

Chemosphere published new progress about Amino acids Role: TEM (Technical or Engineered Material Use), USES (Uses). 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Name: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Okahashi, Nobuyuki published the artcileSugar phosphate analysis with baseline separation and soft ionization by gas chromatography-negative chemical ionization-mass spectrometry improves flux estimation of bidirectional reactions in cancer cells, HPLC of Formula: 97-67-6, the main research area is breast cancer sugar phosphate GC NCI MS; (13)C-metabolic flux analysis; GC-MS; Negative chemical ionization; Sugar phosphate; o-(2,3,4,5,6-pentafluorobenzyl) oxime.

Precise measurement of sugar phosphates in glycolysis and the pentose phosphate (PP) pathway for 13C-metabolic flux anal. (13C-MFA) is needed to understand cancer-specific metabolism Although various anal. methods have been proposed, anal. of sugar phosphates is challenging because of the structural similarity of various isomers and low intracellular abundance. In this study, gas chromatog.-neg. chem. ionization-mass spectrometry (GC-NCI-MS) is applied to sugar phosphate anal. with o-(2,3,4,5,6-pentafluorobenzyl) oxime (PFBO) and trimethylsilyl (TMS) derivatization. Optimization of the GC temperature gradient achieved baseline separation of sugar phosphates in 31 min. Mass spectra showed the predominant generation of fragment ions containing all carbon atoms in the sugar phosphate backbone. The limit of detection of pentose 5-phosphates and hexose 6-phosphates was 10 nM. The method was applied to 13C-labeling measurement of sugar phosphates for 13C-MFA of the MCF-7 human breast cancer cell line. 13C-labeling of sugar phosphates for 13C-MFA improved the estimation of the net flux and reversible flux of bidirectional reactions in glycolysis and the PP pathway.

Metabolic Engineering published new progress about Amino acids Role: ANT (Analyte), ANST (Analytical Study) (branched chain). 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, HPLC of Formula: 97-67-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Tang, Ke published the artcileChemical and sensory characterization of cabernet sauvignon wines from the Chinese loess plateau region, Recommanded Product: 3-(Methylthio)propan-1-ol, the main research area is cabernet sauvignon wine chem sensory profile China; Cabernet Sauvignon; GC–O; Loess Plateau; aroma; sensory profile.

In this study, the aroma profiles of Cabernet Sauvignon wines from a new grape growing region, Loess Plateau, China, were established by gas chromatog.-olfactometry, gas chromatog.-mass spectrometry and sensory anal. The sensory profiles of wines form five different young vineyards in the Loess Plateau region were obtained by descriptive anal. Blackcurrant (p < 0.01), pear and dried plum (p < 0.05), mushroom, smoked and green pepper (p < 0.1) had significant differences on the five vineyards. A total of 76 odor-active aroma compounds were identified in the wines, and 45 volatile compounds were selected as those having the greatest impact on the aroma components and these were quantitated by five different methods. In addition, the correlation model of the Loess Plateau region's sensory characteristics and aroma compounds was established by partial least squares regression (PLSR) to determine the influence of various aroma active substances on aroma attributes. Molecules published new progress about Acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 505-10-2 belongs to class alcohols-buliding-blocks, name is 3-(Methylthio)propan-1-ol, and the molecular formula is C4H10OS, Recommanded Product: 3-(Methylthio)propan-1-ol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Simonato, Barbara published the artcileEffects of post-harvest fungal infection of apples on chemical characteristics of cider, Recommanded Product: 3-(Methylthio)propan-1-ol, the main research area is fungal infection apple cider.

The impact of fungal post-harvest infection of apple on the chem. composition of cider was investigated through a comparative anal. of ciders obtained from apples (Gala variety) sep. infected by five fungal species (Alternaria alternata, Botrytis cinerea, Diplodia seriata, Monilinia fructigena, and Penicillium expansum) and cider from sound apples. The content of several flavor-active mols. belonging to different chem. groups, such as alcs., esters, acids, aldehydes, phenols, and lactones, significantly varied among ciders. Particularly, cider from sound apples had a higher concentration of Et ester acetate, fatty acid Et esters and fatty acids, mols. that contribute to fruity and sweet scent. Principal component anal. well discriminated ciders, evidencing species-specific fungal effect. Differences in precursor availability in juices and biosynthesis pathways in fungi could explain changes in aroma profile of ciders. This study provides information on the potential risk to produce cider from infected apples due to the possible quality depreciation.

LWT–Food Science and Technology published new progress about Acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 505-10-2 belongs to class alcohols-buliding-blocks, name is 3-(Methylthio)propan-1-ol, and the molecular formula is C4H10OS, Recommanded Product: 3-(Methylthio)propan-1-ol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yao, Shangjie published the artcileEffect of co-culture with Tetragenococcus halophilus on the physiological characterization and transcription profiling of Zygosaccharomyces rouxii, Recommanded Product: 3-(Methylthio)propan-1-ol, the main research area is Tetragenococcus Zygosaccharomyces coculture salt tolerance transcription profile; Co-culture; Membrane fatty acids; RNA-seq analysis; Salt tolerance; Tetragenococcus halophilus; Volatile organic compounds; Zygosaccharomyces rouxii.

Zygosaccharomyces rouxii and Tetragenococcus halophilus are widely existed and play vital roles during the manufacture of fermented foods such as soy sauce. The aim of this study was to elucidate the effect of T. halophilus CGMCC 3792 on the physiol. characterizations and transcription profiling of Z. rouxii CGMCC 3791. Salt tolerance anal. revealed that co-culture with T. halophilus enhanced the salt tolerance of Z. rouxii during salt stress. Anal. of the volatile compounds revealed that co-culture reduced the level of 1-butanol, improved the level of octanoic acid which all were produced by T. halophilus and reduced the level of phenylethyl alc. produced by Z. rouxii. The presence of Z. rouxii decreased the contents of 3,4-dimethylbenzaldehyde and acetic acid produced by T. halophilus. In addition, co-culture improved the content of benzyl alc. significantly. Anal. of membrane fatty acid showed that co-culture improved the content of palmitic (C16:0) and stearic (C18:0) acids in cells of Z. rouxii, and reduced the contents of myristic (C14:0), palmitoleic acid (C16:1) and oleic acid (C18:1). In order to further explore the interactions between the two strains, RNA-seq technol. was used to investigate the effect of co-culture with T. halophilus on the transcription profiling of Z. rouxii. By comparing cells incubated in co-culture group with cells incubated in single-culture group, a total of 967 genes were considered as differentially expressed genes (DEGs). Among the DEGs, 72 genes were up-regulated, while 895 genes were down-regulated. These DEGs took party in various activities in cells of Z. rouxii, and the result showed co-culture with T. halophilus had a pos. effect on proteolysis, the attachment of a cell to another cell, extracellular protein accumulation, energy metabolism, and a neg. effect on oxidative phosphorylation, small mol. substances metabolism, DNA replication and repair, and transcription in cells of Z. rouxii. Results presented in this study may contribute to further understand the interactions between Zygosaccharomyces rouxii and Tetragenococcus halophilus.

Food Research International published new progress about Acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 505-10-2 belongs to class alcohols-buliding-blocks, name is 3-(Methylthio)propan-1-ol, and the molecular formula is C4H10OS, Recommanded Product: 3-(Methylthio)propan-1-ol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chen, Yi published the artcileCharacteristic fingerprints and volatile flavor compound variations in Liuyang Douchi during fermentation via HS-GC-IMS and HS-SPME-GC-MS, Recommanded Product: 3-(Methylthio)propan-1-ol, the main research area is ethyl acetate 1octen3ol volatile organic compound fermentation; Douchi; Fermentation; HS-GC-IMS; HS-SPME-GC-MS; Volatile compounds.

The present study investigates volatile organic compound (VOC) compositional changes in Liuyang Douchi during fermentation via a HS-GC-IMS and HS-SPME-GC-MS combination approach. A total of 115 VOCs were identified from Douchi, most of which were accumulated during pile fermentation Notably, most alcs. and acids decreased with fermentation, while esters, ketones, pyrazines, and phenols accumulated during pile fermentation Depending on the VOCs identified by GC-IMS/MS, the different fermentation stages of Douchi could be facilely distinguished. Of these, 49 VOCs were regarded as the marker VOCs of Douchi in different fermentation stage: hexanol, hexanal, and propanoic acid was the marker VOCs of the black beans before fermentation and contributing beany and grassy odors; 1-octen-3-ol and 3-octanone supplying a mushroom aroma to the Douchi fermented for 3-9 days; and esters and pyrazine, especially Et acetate and 2,6-dimethylpyrazine, contributing the cocoa, fruity, and nutty aromas of matured Douchi.

Food Chemistry published new progress about Acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 505-10-2 belongs to class alcohols-buliding-blocks, name is 3-(Methylthio)propan-1-ol, and the molecular formula is C4H10OS, Recommanded Product: 3-(Methylthio)propan-1-ol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Perestrelo, Rosa published the artcileUntargeted fingerprinting of cider volatiles from different geographical regions by HS-SPME/GC-MS, COA of Formula: C4H10OS, the main research area is untargeted fingerprinting cider volatile headspace solid phase microextraction.

The volat. fingerprint of ciders produced in different geog. regions from Madeira Island was established using headspace solid phase microextraction combined with gas chromatog. mass spectrometry (HS-SPME/GC-MS) in order to explore the effects of geog. region on the volatile pattern ciders in addition to identify potential mol. geog. markers. A total of 107 volatile organic compounds (VOCs) belonging to different chem. families were identified from which 50 VOCs are common to all ciders analyzed. Significant differences in the relative content of VOCs from ciders of different geog. regions were observed The potential of the identified VOCs for ciders discrimination according to region was assessed through chemometric tools, such as principal components anal. (PCA) and partial least squares-discriminant anal. (PLS-DA). The PCA showed significant differences among ciders from different island geog. regions. Fifteen VOCs responsible for ciders discrimination were identified by PLS-DA. Fifteen VOCs, namely five terpenoids, four alcs., three acids and three esters, present variable importance in projection (VIP) values higher than one. Our findings provide relevant information related to volatile signature of ciders produced in Madeira Island, which may be a useful tool to cider-making process contributing to improve the quality of the final product. In addition, the geog. discrimination recognizes the unique and distinctive characteristics that will allow in the future to protect the quality and typicity of products originating in certain geog. regions.

Microchemical Journal published new progress about Acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 505-10-2 belongs to class alcohols-buliding-blocks, name is 3-(Methylthio)propan-1-ol, and the molecular formula is C4H10OS, COA of Formula: C4H10OS.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lepe-Balsalobre, Esperanza published the artcileVolatile compounds from in vitro metabolism of seven Listeria monocytogenes isolates belonging to different clonal complexes, Category: alcohols-buliding-blocks, the main research area is Listeria monocytogenes volatile compound metabolism clonal complex; GC-MS; Listeria monocytogenes; VOCs; biomarkers; volatile compounds.

Microorganisms produce a wide variety of volatile organic compounds (VOCs) as products of their metabolism and some of them can be specific VOCs linked to the microorganism’s identity, which have proved to be helpful for the diagnosis of infection via odor fingerprinting. The aim of this study was to determine the VOCs produced and consumed to characterize the volatile metabolism of seven isolates of different clonal complexes (CCs) of Listeria monocytogenes. For this purpose, dichloromethane extracts from the thioglycolate broth medium were analyzed by gas chromatog. coupled to mass spectrometry (GC/MS). Also, multivariate analyses were applied to the data obtained. Results showed that all the isolates of L. monocytogenes produced de novo isobutanol, 2-methyl-1-butanol, 3-methyl-1-butanol, 3-(methylthio)-1-propanol, acetic acid, isobutyric acid, butanoic acid, and isovaleric acid. Significant differences were found among isolates for the production amount of these volatiles, which allowed their differentiation. Thus, CC4 (ST-219/CT-3650) and CC87 (ST-87/CT-4557) showed an active volatile compounds metabolism with high consumption nitrogen and sulfur compounds and production of alcs. and acids, and CC8 (ST-8/CT-8813) and CC3 (ST-3/CT-8722) presented a less active volatile metabolism Moreover, within the VOCs determined, huge differences were found in the production of butanol among the seven isolates analyzed, being probably a good biomarker to discriminate among isolates belonging to different CCs. Hence, the anal. of volatile profile generated by the growth of L. monocytogenes in vitro could be a useful tool to differentiate among CCs isolates.

Journal of Medical Microbiology published new progress about Acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 505-10-2 belongs to class alcohols-buliding-blocks, name is 3-(Methylthio)propan-1-ol, and the molecular formula is C4H10OS, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Rui published the artcileBiotransformation of green tea (Camellia sinensis) by wine yeast Saccharomyces cerevisiae, Formula: C4H6O5, the main research area is Camellia Saccharomyces biotransformation volatile compound; antioxidant capacity; fermentation; flavor; polyphenols; sensory.

Wine yeast Saccharomyces cerevisiae 71B was used in fermentation of green tea to modulate the volatiles and nonvolatiles. After fermentation, higher alcs., esters, and acids, such as isoamyl alc., isobutanol, Et octanoate, Et decanoate, octanoic, and decanoic acids were generated. Some key aroma compounds of tea including linalool, hotrienol, dihydroactinidiolide, and 2-phenylethanol increased significantly. Among these compounds, linalool and 2-phenylethanol increased by 1.3- and 10-fold, resp., which impart floral and fruity notes to fermented green tea. Alkaloids including caffeine, theobromine, and theophylline were reduced significantly after fermentation, while the most important free amino acid in tea, theanine, was not metabolized by S. cerevisiae. Tea catechins decreased whereas gallic and caffeic acids increased significantly, resulting in the unchanged antioxidant capacity of the fermented green tea. Hence, this work highlighted the potential of using S. cerevisiae to modulate green tea aroma and nonvolatiles. Practical Application : A novel fermented tea is produced by yeast fermentation Saccharomyces cerevisiae led to significant changes in tea volatiles and nonvolatiles. Antioxidant capacity remained stable after fermentation

Journal of Food Science published new progress about Acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Formula: C4H6O5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ramos-Escudero, Fernando published the artcileAssessment of phenolic and volatile compounds of commercial Sacha inchi oils and sensory evaluation, Recommanded Product: 3-Pentanol, the main research area is sacha inchi oil phenolic volatile compound sensory property; Authentication; Oil; Phenolic profile; Plukenetia volubilis seed; Sensory properties; Volatile profiles.

Sacha inchi is a super seed primarily grown in the Amazon rainforest of Peru. One of the main products obtained from seeds is oil. This product is rich in polyunsaturated fatty acids, tocopherols, and sterols. The objective of this work was to authenticity evaluate of the Sacha inchi oil by means of characterization of phenols, volatile compounds, and sensory profile. The phenolic and volatile compounds were analyzed using liquid chromatog.-electrospray ionization-time of flight/mass spectrometry (HPLC-ESI-TOF/MS) and headspace solid phase microextraction combined with gas chromatog. and mass spectrometry (HS-SPME/GC-MS), resp. A total of 16 phenolic compounds were detected in com. Sacha inchi oils, while 54 compounds have been found in the volatile fraction. These compounds mainly correspond to notes generated by alcs., aldehydes, acids, ketones, and terpenoids. Principal component anal. (PCA) showed that the first two PCs account for 71.13% of total variance. Statistical anal. was used to observe the relationships between phenolic and volatile compounds; therefore, consequently, it has been found that 16 volatile compounds may have a significant influence upon overall perceived flavor and odor of the com. Sacha inchi oils. According to the odor and flavor, the Sacha inchi oil is characterized by “”green”” odor notes, seed, dried fruit and rough.

Food Research International published new progress about Acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Recommanded Product: 3-Pentanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts