Month: November 2022

Effects of different extraction methods on chemical composition of volatile oils from Anhua Fuzhuan tea was written by Hu, Jun-peng;Jia, Meng-meng;Zhu, Liang. And the article was included in Shipin Keji in 2018.Quality Control of 3,7-Dimethyloctan-1-ol The following contents are mentioned in the article:

The volatile oils from Anhua Fuzhuan tea has been extracted by steam distillation (SD), simultaneous distillation extraction (SDE), ultrasound-assisted extraction (UAE) and solid phase microextraction (SPME). The chem. composition of oils had been analyzed by gas chromatog. mass spectrometry (GC-MS). The result indicated that the most volatile compounds extracted by four methods were terpenes and aldehydes, ketones, acids, esters. The chem. components which were extracted by four methods were identified 86 (extracted by SD), 69 (extracted by SDE), 64 (extracted by UAE), and 81 (extracted by SPME) kinds of compounds resp. Differences exist in the aroma composition and relative content ratio. The kinds of oily volatiles extracted by steam distillation (SD) and volatile components extracted by solid phase microextraction (SPME) were more than other extracting methods, meanwhile, the two extracting methods are similar in the forms of b.p. compounds Volatile components from simultaneous distillation extraction (SDE) and ultrasound-assisted extraction (UAE) included more high-b.p. compounds This experiment provided a guidance for selecting appropriate methods for extracting and analyzing the volatile oil of Anhua Fuzhuan tea. This study involved multiple reactions and reactants, such as 3,7-Dimethyloctan-1-ol (cas: 106-21-8Quality Control of 3,7-Dimethyloctan-1-ol).

3,7-Dimethyloctan-1-ol (cas: 106-21-8) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Quality Control of 3,7-Dimethyloctan-1-ol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Identification of floral scent profiles in bearded irises was written by Yuan, Yuan;Sun, Ye;Zhao, Yanchun;Liu, Chungui;Chen, Xiulan;Li, Fengtong;Bao, Jianzhong. And the article was included in Molecules in 2019.Synthetic Route of C10H22O The following contents are mentioned in the article:

Bearded irises are ornamental plants with distinctive floral fragrance grown worldwide. To identify the floral scent profiles, twenty-seven accessions derived from three bearded iris, including Iris. germanica, I. pumila and I. pallida were used to investigate the composition and relative contents of floral scent components by headspace solid-phase microextraction (HS-SPME) and gas chromatog.-mass spectrometry (GC-MS). A total of 219 floral scent components were detected in blooming flowers. The scent profile varied significantly among and within the three investigated species. Principal component anal. (PCA) indicated that terpenes, alcs. and esters contributed the most to the floral scent components and 1-caryophyllene, linalool, citronellol, Me cinnamate, β-cedrene, thujopsene, Me myristate, linalyl acetate, isosafrole, nerol, geraniol were identified as the major components. In a hierarchical cluster anal., twenty-seven accessions could be clustered into six different groups, most of which had representative scent components such as linalool, citronellyl acetate, thujopsene, citronellol, Me cinnamate and 1-caryophyllene. Our findings provide a theor. reference for floral scent evaluation and breeding of bearded irises. This study involved multiple reactions and reactants, such as 3,7-Dimethyloctan-1-ol (cas: 106-21-8Synthetic Route of C10H22O).

3,7-Dimethyloctan-1-ol (cas: 106-21-8) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. Under carefully controlled conditions, simple alcohols can undergo intermolecular dehydration to give ethers. This reaction is effective only with methanol, ethanol, and other simple primary alcohols.Synthetic Route of C10H22O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The effect of headgroup methylation on polymorphic phase behaviour in hydrated N-methylated phosphoethanolamine:palmitic acid membranes was written by Allen, Matthew E.;Elani, Yuval;Brooks, Nicholas J.;Seddon, John M.. And the article was included in Soft Matter in 2021.COA of Formula: C37H74NO8P The following contents are mentioned in the article:

Mixtures of fatty acids and phospholipids can form hexagonal (H_II) and inverse bicontinuous cubic phases, the latter of which are implicated in various cellular processes and have wide-ranging biotechnol. applications in protein crystallization and drug delivery systems. Therefore, it is vitally important to understand the formation conditions of inverse bicontinuous cubic phases and how their properties can be tuned. We have used differential scanning calorimetry and synchrotron-based small angle and wide angle X-ray scattering (SAXS/WAXS) to investigate the polymorphic phase behavior of palmitic acid/partially-methylated phospholipid mixtures, and how headgroup methylation impacts on inverse bicontinuous cubic phase formation. We find that upon partial methylation of the phospholipid headgroup (1 or 2 Me substituents) inverse bicontinuous cubic phases are formed (of the Im3m spacegroup), which is not the case with 0 or 3 Me substituents. This shows how important headgroup methylation is for controlling phase behavior and how a change in headgroup methylation can be used to controllably tune various inverse bicontinuous phase features such as their lattice parameter and the temperature range of their stability. This study involved multiple reactions and reactants, such as (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5COA of Formula: C37H74NO8P).

(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.COA of Formula: C37H74NO8P

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Exploiting generative self-supervised learning for the assessment of biological images with lack of annotations was written by Mascolini, Alessio;Cardamone, Dario;Ponzio, Francesco;Di Cataldo, Santa;Ficarra, Elisa. And the article was included in BMC Bioinformatics in 2022.Application In Synthesis of (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol The following contents are mentioned in the article:

Computer-aided anal. of biol. images typically requires extensive training on large-scale annotated datasets, which is not viable in many situations. In this paper, we present Generative Adversarial Network Discriminator Learner (GAN-DL), a novel self-supervised learning paradigm based on the StyleGAN2 architecture, which we employ for self-supervised image representation learning in the case of fluorescent biol. images. We show that Wasserstein Generative Adversarial Networks enable high-throughput compound screening based on raw images. We demonstrate this by classifying active and inactive compounds tested for the inhibition of SARS-CoV-2 infection in two different cell models: the primary human renal cortical epithelial cells (HRCE) and the African green monkey kidney epithelial cells (VERO). In contrast to previous methods, our deep learning-based approach does not require any annotation, and can also be used to solve subtle tasks it was not specifically trained on, in a self-supervised manner. For example, it can effectively derive a dose-response curve for the tested treatments. Our code and embeddings are available at https://gitlab.com/AlesioRFM/gan-dl StyleGAN2 is available at https://github.com/NVlabs/stylegan2. This study involved multiple reactions and reactants, such as (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 27208-80-6Application In Synthesis of (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol).

(2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 27208-80-6) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Application In Synthesis of (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Contrast effect of hydrogen bonding on the acceptor and donor OH groups of intramolecularly hydrogen-bonded OH pairs in diols was written by Iwamoto, Reikichi;Matsuda, Toshihiko;Kusanagi, Hiroshi. And the article was included in Spectrochimica Acta in 2005.Product Details of 115-84-4 The following contents are mentioned in the article:

We studied the influence of hydrogen bonding on the fundamental and overtone bands of the OH-stretching vibration of each OH group in the intramolecularly hydrogen-bonded OH(I)::OH(II) pair in 1,2-, 1,3- and 1,4-diols. The hydrogen bonding between the two OH groups significantly increases in strength from the five-membered ring of a 1,2-diol to the seven-membered ring of a 1,4-diol. Although the hydrogen bonding does not affect the vibrational property of the OH(II) (or acceptor), it significantly influences the OH(I) (or donor). As the hydrogen bonding becomes stronger from a 1,2- to a 1,4-diol, the fundamental band of the OH-stretching shifts downwards by from about 50 to 140 cm^-1, and the overtone band markedly decreases in intensity, although the effect on the intensity and bandwidth of the fundamental band varies among 1,2-, 1,3- and 1,4-diols. The quantum-mech. calculated normal frequencies of the acceptor and donor OH groups in the hydrogen-bonded ring are in good agreement with the observed frequencies. The calculated interat. distance between the O of an acceptor OH and the H of a donor OH is the shortest for a 1,4-diol, which is consistent with the largest frequency shift caused by the hydrogen bonding. This study involved multiple reactions and reactants, such as 2-Butyl-2-ethylpropane-1,3-diol (cas: 115-84-4Product Details of 115-84-4).

2-Butyl-2-ethylpropane-1,3-diol (cas: 115-84-4) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. Under carefully controlled conditions, simple alcohols can undergo intermolecular dehydration to give ethers. This reaction is effective only with methanol, ethanol, and other simple primary alcohols.Product Details of 115-84-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Evaluation of the antifungal activity of individual and combined monoterpenes against Rhizopus stolonifer and Absidia coerulea was written by Zhou, Lijun;Zhang, Zhilin;Wei, Mi;Xie, Yongjian;He, Shan;Shi, Hongan;Lin, Zhufeng. And the article was included in Environmental Science and Pollution Research in 2019.Recommanded Product: 106-21-8 The following contents are mentioned in the article:

The development of natural plant extracts and essential oils will help to decrease the neg. effects of synthetic chems. In the present study, the antifungal activity of individual and combined monoterpenes against Rhizopus stolonifer and Absidia coerulea was evaluated. The results from antifungal tests showed that eugenol, carvacrol, and isoeugenol, among all the tested compounds, exhibited strong antifungal activity against the two tested fungi. Furthermore, carvacrol exhibited the most toxic effects against R. stolonifer and A. coerulea, and the IC₅₀ values of carvacrol for the two fungi were 44.94μg/mL and 50.83μg/mL, resp. The compounds (±)-menthol, b-citronellol, geraniol, 3,7-dimethyl-1-octanol, citral, and cuminaldehyde had only strong antifungal activity against R. stolonifer. In addition, the value of the synergistic co-efficient (SR) of a combination of isoeugenol and eugenol (1:1) showed an additive effect against R. stolonifer. The combination of isoeugenol and cuminaldehyde (1:1) showed an antagonistic effect against A. coerulea. Our results indicated that carvacrol and isoeugenol had potential antifungal effects against the two tested fungi and could be utilized in novel biol. fungicide development. This study involved multiple reactions and reactants, such as 3,7-Dimethyloctan-1-ol (cas: 106-21-8Recommanded Product: 106-21-8).

3,7-Dimethyloctan-1-ol (cas: 106-21-8) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Recommanded Product: 106-21-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Quantification of nanoscale forces in lectin-mediated bacterial attachment and uptake into giant liposomes was written by Omidvar, Ramin;Ayala, Yareni A.;Brandel, Annette;Hasenclever, Lukas;Helmstaedter, Martin;Rohrbach, Alexander;Roemer, Winfried;Madl, Josef. And the article was included in Nanoscale in 2021.Name: (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate The following contents are mentioned in the article:

Interactions of the bacterial lectin LecA with the host cells glycosphingolipid Gb3 have been shown to be crucial for the cellular uptake of the bacterium Pseudomonas aeruginosa. LecA-induced Gb3 clustering, referred to as lipid zipper mechanism, leads to full membrane engulfment of the bacterium. Here, we aim for a nanoscale force characterization of this mechanism using two complementary force probing techniques, at. force microscopy (AFM) and optical tweezers (OT). The LecA-Gb3 interactions are reconstituted using giant unilamellar vesicles (GUVs), a well-controlled minimal system mimicking the plasma membrane and nanoscale forces between either bacteria (PAO1 wild-type and LecA-deletion mutant strains) or LecA-coated probes (as minimal, synthetic bacterial model) and vesicles are measured. LecA-Gb3 interactions strengthen the bacterial attachment to the membrane (1.5-8-fold) depending on the membrane tension and the applied technique. Moreover, significantly less energy (reduction up to 80%) is required for the full uptake of LecA-coated beads into Gb3-functionalized vesicles. This quant. approach highlights that lectin-glycolipid interactions provide adequate forces and energies to drive bacterial attachment and uptake. This study involved multiple reactions and reactants, such as (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5Name: (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate).

(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Name: (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Engineering Escherichia coli for the High-Titer Biosynthesis of Lacto-N-tetraose was written by Hu, Miaomiao;Li, Mengli;Miao, Ming;Zhang, Tao. And the article was included in Journal of Agricultural and Food Chemistry in 2022.Safety of (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triol The following contents are mentioned in the article:

Lacto-N-tetraose (LNT), a member of the human milk oligosaccharides family, has received widespread attention because of its importance in infant health. We constructed a whole-cell biotransformation method in Escherichia coli BL21(DE3) for high-titer LNT synthesis. The approach was performed by using a systematic design and metabolic engineering based on the metabolic pathway of LNT. The lgtA (encoding β-1,3-N-acetylglucosaminyltransferase) and wbgO (encoding β-1,3-galactosyltransferase) genes were introduced into the engineered E. coli BL21(DE3) to construct an LNT-producing starting strain B1 (0.22 g/L). Then, the genes related to the LNT metabolic pathway were screened in two vectors to evaluate LNT synthesis. The lgtA-wbgO and galE-galT-galK genes were overexpressed through the two-plasmid system in E. coli BL21(DE3). The titer of LNT (3.42 g/L) had a gain of 14.55 times compared with that of B1. Furthermore, the ugd gene, which was associated with the UDP-Gal bypass pathway, was inactivated to further improve LNT production in shake-flask cultivation (4.14 g/L). The final fed-batch cultivation of the engineered strain produced 31.56 g/L of LNT. This study provided a strategy for the effective production of LNT in E. coli. This study involved multiple reactions and reactants, such as (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triol (cas: 367-93-1Safety of (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triol).

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triol (cas: 367-93-1) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.Safety of (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Evaluation of germination effect on volatile compounds of different faba bean cultivars using HS-SPME/GC-MS was written by Rajhi, Imene;Baccouri, Bechir;Rajhi, Fatma;Hammami, Jamila;Souibgui, Monia;Amri, Moez;Mhadhbi, Haythem;Flamini, Guido. And the article was included in Journal of Food Composition and Analysis in 2022.SDS of cas: 106-21-8 The following contents are mentioned in the article:

The effect of germination on flavor attributes of six Vicia faba L. cultivars (Najeh, Saber, Chourouk, Local, Bachar and Badii) was assessed using HS-SPME/GC-MS technique. Of all aroma compounds identified, 37 were emitted by unsprouted (19) and sprouted (28) seeds. However, 32 active odors were characterized in the flours obtained from unsprouted (18) and sprouted (28) grains. The total identification percentages of the volatiles ranged from 94.2% to 99.9%. The volatiles were classified into five chem. classes i.e., monoterpene hydrocarbons (MH), oxygenated monoterpenes (OM), sesquiterpene hydrocarbons (STH), apocarotenes (AP), and non-terpene derivatives (NTD). Germination induced the formation of OM, increased NTD, and decreased MH in sprouted seeds, with the sole exception of the Najeh cultivar. In flours, the most representative chem. classes was NTD followed by MH, again with the exception of the for Najeh cultivar, which emitted much more STH. In addition, an increase in beany flavors in sprouted faba beans has been noted. The milling reduced the percentage of nonanal, considered one of the beany flavors of faba beans. However, when the germinated seeds were minced, a new beany flavor constituent appeared, 2-pentyl furan. This study involved multiple reactions and reactants, such as 3,7-Dimethyloctan-1-ol (cas: 106-21-8SDS of cas: 106-21-8).

3,7-Dimethyloctan-1-ol (cas: 106-21-8) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.SDS of cas: 106-21-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

QSPR Flash Point Prediction of Solvents Using Topological Indices for Application in Computer Aided Molecular Design was written by Patel, Suhani J.;Ng, Dedy;Mannan, M. Sam. And the article was included in Industrial & Engineering Chemistry Research in 2009.SDS of cas: 115-84-4 The following contents are mentioned in the article:

Incorporating consideration for safety issues while selecting solvents for processes has become crucial in light of the chem. process accidents involving solvents that have taken place in recent years. Computer aided mol. design (CAMD) is a methodol. that was researched recently for designing compounds with required target properties and can be applied for selection of safer solvents as well. An important aspect of this methodol. concerns the prediction of properties given the structure of the mol. This paper utilizes one such emerging method for prediction of a hazardous property, flash point, which is indicative of the flammability of solvents. Quant. structure property relationship (QSPR) and topol. indexes were used in this paper to predict flash point properties of different classes of solvents. Multiple linear regression and back-propagation neural network anal. were used to model the flash point. The neural network model showed higher accuracy (training set, r = 0.948, R² = 0.898). However, there are certain limitations associated with using QSPR in CAMD which have been discussed and need further work. This paper advances the “forward problem” of CAMD using QSPR which was not researched extensively in the past. This study involved multiple reactions and reactants, such as 2-Butyl-2-ethylpropane-1,3-diol (cas: 115-84-4SDS of cas: 115-84-4).

2-Butyl-2-ethylpropane-1,3-diol (cas: 115-84-4) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.SDS of cas: 115-84-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts