Tag: 100-200

Lomas, John S. published 《¹H NMR spectra of butane-1,4-diol and other 1,4-diols: DFT calculation of shifts and coupling constants》 in 2014. The article was appeared in 《Magnetic Resonance in Chemistry》. They have made some progress in their research.Name: 2,5-Dimethyl-2,5-hexanediol The article mentions the following:

The proton NMR spectra of butane-1,4-diol, pentane-1,4-diol, (S,S)-hexane-2,5-diol, 2,5-dimethylhexane-2,5-diol and cyclohexane-1,4-diols (cis and trans) in benzene and some other solvents were analyzed. The conformer distribution and the NMR shifts of these diols in benzene were computed from the d. functional theory, the solvent being included by the integral-equation-formalism polarizable continuum model implemented in Gaussian 09. Relative Gibbs energies of all conformers are calculated at the Perdew, Burke and Ernzerhof (PBE)0/6-311+G(d,p) level and NMR shifts by the gauge-including AO method with the PBE0/6-311+G(d,p) geometry and the cc-pVTZ basis set. Vicinal three-bond coupling constants for the acyclic diols are calculated from the relative conformer populations, the geometries and generalized Karplus equations developed by Altona’s group; these correlate well with the exptl. values. The solvent dependence of coupling constants for butane-1,4-diol is attributed to conformational change. Coupling constants for the rigid cyclohexane-1,4-diols do not change with solvent and are readily explained in terms of their geometries. The NMR shifts of hydrogen-bonded protons in individual conformers of alkane-1,n-diols show a very rough correlation with the OH···OH distances. The computed overall NMR shifts for CH protons in 1,2-diols, 1,3-diols and 1,4-diols are systematically high but correlate very well with the exptl. values, with a gradient of 1.07 ± 0.01; those for OH protons correlate less well. Copyright © 2014 John Wiley and Sons, Ltd. And 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) was used in the research process.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Name: 2,5-Dimethyl-2,5-hexanediol

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Lyczko, Jacek;Masztalerz, Klaudia;Lipan, Leontina;Iwinski, Hubert;Lech, Krzysztof;Carbonell-Barrachina, Angel A.;Szumny, Antoni published 《Coriandrum sativum L.-effect of multiple drying techniques on volatile and sensory profile》. The research results were published in《Foods》 in 2021.HPLC of Formula: 78-69-3 The article conveys some information:

Coriandrum sativum L. is a medicinal and aromatic plant spread around the world, with beneficial properties that are well recognized. Both coriander seeds and leaves are used for pharmaceutical and flavoring purposes. Even though coriander seeds tend to be more popular, the leaves are receiving a consistently growing interest, especially because of popularization of Mexican, Northern African, and Indian cuisines. This increased attention brings about the necessity for providing the product with guaranteed quality, which will retain its valuable characteristics, even after post-harvest treatment. For this reason, it is highly necessary to determine reliable protocols for cilantro preservation, which usually include drying procedures; in order to identify the optimal drying treatments, a spectrum of drying techniques-convective, vacuum-microwave, and a combination of convective and vacuum-microwave-were evaluated. Cilantro-based dried products were examined from the perspectives of volatile organic constituent composition and sensory quality. After headspace solid-phase microextraction-GC/MS anal. and sensory tests, the results demonstrate that convective drying at 70°C for 120 min followed by vacuum-microwave drying at 360 W and convective drying at 70°C were the optimal drying methods for preserving cilantro aroma quality, while convective drying at 70°C for 120 min followed by convective finishing drying at 50°C decreased cilantro aroma quality. To complete the study, the researchers used 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.HPLC of Formula: 78-69-3 Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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Synthetic Route of C10H22OIn 2014, Wang, Yan-ping;Liang, Li-en published 《Determination of volatile aroma components in dahongpao tea and tea brine eggs seasoning packer by SPME-GC/MS》. 《Shipin Gongye Keji》published the findings. The article contains the following contents:

The main volatile aroma components of dahongpao tea and tea brine eggs seasoning packer was extracted by solid phase micro-extraction (SPME) and analyzed by gas chromatog.-mass spectrometry (GC-MS). Results showed that 27 and 56 chengical composition were identified in dahongpao tea extracts and tea brine eggs seasoning packer extracts, they were alc., aldehyde, acids, esters, ene, ketone and heterocyclic compounds containing nitrogen, oxygen, and the main characteristics of volatile aroma components were nerolidol, palmitic acid, peppermint lactate, indole, farnesene, beta-ionone, phenol, orange aldehyde, linalool, benzophenone, etc. By Integral quant. and relative percentage content of the characteristic volatile aroma components in tea brine eggs seasoning packer extracts with dahongpao tea extracts was closely relative to the distribution. To complete the study, the researchers used 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Synthetic Route of C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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Ueland, Maiken;Brown, Amber;Bartos, Cecilia;Frankham, Greta J.;Johnson, Rebecca N.;Forbes, Shari L. published 《Profiling volatilomes: a novel forensic method for identification of confiscated illegal wildlife items》 in 2020. The article was appeared in 《Separations》. They have made some progress in their research.Name: 4-tert-Amylphenol The article mentions the following:

Globally, the rapid decline in wildlife species has many causes. The illegal trafficking of fauna and flora is a major contributor to species decline and continues to grow at an alarming rate. To enable the prosecution of those involved in the trafficking of illegal wildlife, accurate and reliable identification is paramount. Traditionally, morphol. and DNA amplification are used. This paper investigates a novel application of volatilome profiling using comprehensive two-dimensional gas chromatog. coupled with time of flight mass spectrometry for wildlife sample detection. Known samples of elephant-derived ivory, other dentin samples, and bone (a common ivory substitute) were used as reference samples for volatilome profiling. Subsequently, specimens that were suspected ivory from border control seizures were obtained and analyzed. Confirmatory DNA analyses were conducted on seized samples to establish the reliability parameters of volatilome profiling. The volatilome method correctly identified six of the eight seized samples as elephant ivory, which was confirmed through DNA anal. There was also clear distinction of African elephant ivory parts from the bone and dentin samples from other species, as shown through PCA and discriminant analyses. These preliminary results establish volatilome profiling through GCxGC-TOFMS as a novel screening method used for the identification of unknown wildlife contraband. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. Owing to the presence of the polar OH alcohols are more water-soluble than simple hydrocarbons. Methanol, ethanol, and propanol are miscible in water. Butanol, with a four-carbon chain, is moderately soluble.Name: 4-tert-Amylphenol

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Quality Control of 2,5-Dimethyl-2,5-hexanediol《New insights into the survival mechanisms of rifampicin-resistant Mycobacterium tuberculosis》 was published in 2016. The authors were Loots, Du Toit, and the article was included in《Journal of Antimicrobial Chemotherapy》. The author mentioned the following in the article:

Rifampicin is considered the most important antibiotic for treating TB, but unfortunately Mycobacterium tuberculosis is rapidly developing resistance to this drug. Despite the fervent research efforts to date, TB is still a major global problem, and hence new approaches are necessary to better characterize this disease, especially the mechanisms relating to drug resistance. Using a two-dimensional GC-coupled time-of-flight MS metabolomics approach, the most important metabolite markers characterizing rifampicin-resistant M. tuberculosis were identified. The metabolite markers identified indicate instability in rifampicin-resistant M. tuberculosis mRNA, induced by the rpoB mutation. This results in a total depletion of aconitic acid, due to a shift in aconitase functionality towards mRNA binding and stability, and away from energy production and growth, and a subsequent increased dependency on alternative energy sources, fatty acids in particular. A number of other metabolic changes were observed, confirming an addnl. survival response for maintaining/remodelling the cell wall. This study shows the value of a metabolomics approach to biol. studies in a quest to better understand disease-causing organisms and their tolerance to existing medications, which would in the future undoubtedly assist in the development of alternative treatment approaches. The experimental procedure involved many compounds, such as 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Quality Control of 2,5-Dimethyl-2,5-hexanediol

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Name: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride《Correlation between protein function and ligand binding profiles》 was published in 2011. The authors were Shortridge, Matthew D.;Bokemper, Michael;Copeland, Jennifer C.;Stark, Jaime L.;Powers, Robert, and the article was included in《Journal of Proteome Research》. The author mentioned the following in the article:

The authors report that proteins with the same function bind the same set of small mols. from a standardized chem. library. This observation led to a quantifiable and rapidly adaptable method for protein functional anal. using exptl. derived ligand binding profiles. Ligand binding is measured using a high-throughput NMR ligand affinity screen with a structurally diverse chem. library. The method was demonstrated using a set of 19 proteins with a range of functions. A statistically significant similarity in ligand binding profiles was only observed between the two functionally identical albumins and between the five functionally similar amylases. This new approach is independent of sequence, structure, or evolutionary information and, therefore, extends the ability to analyze and functionally annotate novel genes. The experimental procedure involved many compounds, such as 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) .

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 Name: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride) is a strong antagonist of vitamin B6. Deoxypyridoxine hydrochloride has been used as an analytical reference standard for the quantification of the analyte in food samples using high performance liquid chromatography.

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Reference of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochlorideIn 1956, Sugiura, Kanematsu published 《Merits of ascites tumors for chemotherapeutic screening. I》. 《Annals of the New York Academy of Sciences》published the findings. The article contains the following contents:

Ehrlich ascites, Krebs 2 ascites carcinomas, and sarcoma 180 ascites tumor were used in the present study. Fresh ascites fluid containing 10⁶ cancer cells were injected into mice and the recipient regularly developed large amounts of milky ascites (5 to 20 cc.) in 1 to 2 wk and died in 1 to 3 wk. The tumors had 100% takes and there were generally no spontaneous regressions. The exudates contained 5 to 10% normal cells. For the chemotherapy test, a donor mouse was selected 1 to 2 wk, after inoculation and 2 to 5 mL. of milky fluid withdrawn, the cells counted in a hemocytometer, and a proper dilution made with 0.9% NaCl solution I.p. injections of 0.1 mL. of fluid containing 10⁶ cells was made. Each group of animals was divided into a control and treatment group. The progress of the tumors was recorded by daily weight measurement and by measuring the amount of ascitic fluid 10 days after the inoculation. The inhibition effect was then estimated from the effects on the ascites and the survival. Chemotherapeutic agents were injected in solvents as necessary; 0.5 cc. CM-cellulose, 0.5 cc. peanut oil, 0.1 cc. sesame oil were used. One hundred compounds were tested on all 3 tumors; these consisted of nitrogen mustards, ethyleneimines, phosphoramides, folic acid analogs and other pteridines, carbamates, purines, pyrimidines, formamides, steroids, hormones, enzymes, antibiotics, antivitamins, inorganic salts, and others. In 64% of the tests the response to agents was identical in all 3 tumors. A similar study was made of 54 agents on the solid and ascites form of the Ehrlich carcinoma and sarcoma 180. The ascites form usually showed the greater sensitivity to the carcinostatic agent. And 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) was used in the research process.

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 Reference of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride) is a strong antagonist of vitamin B6. Deoxypyridoxine hydrochloride has been used as an analytical reference standard for the quantification of the analyte in food samples using high performance liquid chromatography.

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Kamei, Yuji;Seino, Yusuke;Yamaguchi, Yuto;Yoshino, Tatsuhiko;Maeda, Satoshi;Kojima, Masahiro;Matsunaga, Shigeki published 《Silane- and peroxide-free hydrogen atom transfer hydrogenation using ascorbic acid and cobalt-photoredox dual catalysis》. The research results were published in《Nature Communications》 in 2021.Computed Properties of C10H22O The article conveys some information:

A silane- and peroxide-free HAT hydrogenation using a combined cobalt/photoredox catalysis and ascorbic acid (vitamin C) as a sole stoichiometric reactant was reported. A cobalt salophen complex is identified as the optimal cocatalyst for this environmentally benign HAT hydrogenation in aqueous media, which exhibits high functional-group tolerance. In addition to its applicability in the late-stage hydrogenation of amino-acid derivatives e.g., serine and drug mols., this method offers unique advantage in direct transformation of unprotected sugar derivatives e.g., (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-(2-methylallyl)tetrahydro-2H-pyran-3,4,5-triol and allows the HAT hydrogenation of unprotected C-glycoside e.g., ((2R,3S,4R,5S)-3,4-dihydroxy-5-(2-methylallyl)tetrahydrofuran-2-yl)methyl acetate in higher yield compared to previously reported HAT hydrogenation protocols. The proposed mechanism is supported by exptl. and theor. studies. To complete the study, the researchers used 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Computed Properties of C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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Sun, Jing;Huang, Qinyi;Li, Fang;Liu, Lingtao;Han, Fang;Su, Xiurong published 《Application of electronic nose and GC-MS to differentiate volatiles of soybean oils prepared with different temperature conditions》 in 2013. The article was appeared in 《Zhongguo Liangyou Xuebao》. They have made some progress in their research.Safety of 2,5-Dimethyl-2,5-hexanediol The article mentions the following:

In order to establish rapid detection technol. and ensure the safety of edible oil, investigations were carried out to explore the relationship between soybean oil volatiles and temperature conditions. Chem. sensor technol. and headspace-solid phase micro-extraction (HS-SPME) coupled with gas chromatog.-mass spectrometry (GC-MS) were used to analyze the volatiles of soybean oil with different temperature conditions. The results showed that chem. sensor can be sensitive to detect the odor changes of soybean oil in the heating process. Fresh, 150°C, 180°C and 220°C soybean oil volatiles were significantly different by PCA and I. DA methods. There were 27, 60, 100 and 115 kinds of volatile compounds detected from fresh, 150°C, 180°C and 220°C soybean oil, resp. Among these compounds, most of them were hydrocarbons, aldehydes, ketones, ethers, esters, acids, heterocyclic compounds, and hydro-peroxides. The content of hydroperoxides in fresh soybean oil was higher than other samples. Ketones and alcs. with oil incense were the main volatiles of soybean oil at 150°C. Aldehydes and heterocyclic compounds were the main volatiles of 180°C and 220°C soybean oil, and they produce coke flavor, roasted flavor also endanger human health. And 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) was used in the research process.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Safety of 2,5-Dimethyl-2,5-hexanediol

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Hammond, Andrew C.;Carlson, James R. published 《Inhibition of ruminal degradation of L-tryptophan to 3-methylindole in vitro》 in 1980. The article was appeared in 《Journal of Animal Science (Savoy, IL, United States)》. They have made some progress in their research.Recommanded Product: 148-51-6 The article mentions the following:

A closed-system, in vitro ruminal fermentation technique was used to screen 27 compounds for their ability to reduce the conversion of L-tryptophan (TRP) [73-22-3] to 3-methylindole (3MI) [83-34-1] in order to inhibit acute bovine pulmonary edema and emphysema. 20-Desoxysalinomycin [64003-50-5], X-206 [36505-48-3], chloral hydrate [302-17-0], nigericin [28380-24-7], lasalocid [11054-70-9], monensin [17090-79-8], narasin [55134-13-9], and salinomycin [53003-10-4] all reduced 3MI production by >80% at 5 μg/mL without reducing total volatile fatty acid production All of these compounds, except chloral hydrate, are polyether antibiotics. At least part of the inhibition due to monensin and narasin occurs at the level of TRP conversion to IAA [87-51-4].5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) were involved in the experimental procedure.

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 Recommanded Product: 148-51-6) is a vitamin B6 antimetabolite with diverse biological activities. It inhibits transport of pyridoxine , pyridoxal, and pyridoxamine in and reduces growth of S. carlsbergensis cells. DOP inhibits sphingosine-1-phosphate (S1P) lyase and reduces cyclic stretch-induced apoptosis in alveolar epithelial MLE-12 cells.

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