Month: September 2022

Shin, H.-M.;McKone, T. E.;Bennett, D. H. published 《Model framework for integrating multiple exposure pathways to chemicals in household cleaning products》. The research results were published in《Indoor Air》 in 2017.Recommanded Product: 4-tert-Amylphenol The article conveys some information:

We present a screening-level exposure-assessment method which integrates exposure from all plausible exposure pathways as a result of indoor residential use of cleaning products. The exposure pathways we considered are (i) exposure to a user during product use via inhalation and dermal, (ii) exposure to chem. residues left on clothing, (iii) exposure to all occupants from the portion released indoors during use via inhalation and dermal, and (iv) exposure to the general population due to down-the-drain disposal via inhalation and ingestion. We use consumer product volatilization models to account for the chem. fractions volatilized to air (f_volatilized) and disposed down the drain (f_{down-the-drain}) during product use. For each exposure pathway, we use a fate and exposure model to estimate intake rates (iR) in mg/kg/d. Overall, the contribution of the four exposure pathways to the total exposure varies by the type of cleaning activities and with chem. properties. By providing a more comprehensive exposure model and by capturing addnl. exposures from often-overlooked exposure pathways, our method allows us to compare the relative contribution of various exposure routes and could improve high-throughput exposure assessment for chems. in cleaning products.4-tert-Amylphenol (cas: 80-46-6) were involved in the experimental procedure.

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.Recommanded Product: 4-tert-Amylphenol

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Formula: C10H22O《Chemometric analysis of the volatile fraction evolution of Portuguese beer under shelf storage conditions》 was published in 2015. The authors were Rendall, Ricardo;Reis, Marco S.;Pereira, Ana Cristina;Pestana, Cristina;Pereira, Vanda;Marques, Jose Carlos, and the article was included in《Chemometrics and Intelligent Laboratory Systems》. The author mentioned the following in the article:

In this work we present a multivariate statistical anal. of the evolution of the volatile fraction of Portuguese beer over an extended period of 1 yr under standard shelf storage conditions, using gas chromatog. coupled with mass spectrometry (GC-MS). A systematic methodol. is proposed for detecting the onset of meaningful changes in chem. composition during shelf storage and to monitor its evolution along time. We also put forward and discuss chemometric procedures for analyzing the contributions of different chem. components in the definition of dynamic ageing trends. In summary, the chemometric anal. reveals that the chem. composition of beer presents a statistically meaningful deviation from the reference scenario after a period of 7 mo, although the deviation trend has its onset during the 6th month. The anal. performed also underlines the limitations of current variable contribution methods, and an alternative procedure was proposed based on the anal. in the original domain which finally led to a consistent and interpretable clustering structure of the volatile fraction compounds Esters and higher alc. compounds stand up on a cluster arrangement suggesting that their strict control can effectively point out meaningful changes on beer aroma. Organic acids, namely caprylic, capric and acetic acids can also be very helpful in that sense. The experimental procedure involved many compounds, such as 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.Formula: C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthetic Route of C10H22OIn 2015, Zaquen, Neomy;Vandenbergh, Joke;Schneider-Baumann, Maria;Lutsen, Laurence;Vanderzande, Dirk;Junkers, Thomas published 《Facile synthesis of well-defined MDMO-PPV containing (tri)block-copolymers via controlled radical polymerization and CuAAC conjugation》. 《Polymers (Basel, Switzerland)》published the findings. The article contains the following contents:

A systematic investigation into the chain transfer polymerization of the so-called radical precursor polymerization of poly(p-phenylene vinylene) (PPV) materials is presented. Polymerizations are characterized by systematic variation of chain transfer agent (CTA) concentration and reaction temperature For the chain transfer constant, a neg. activation energy of -12.8 kJ·mol^-1 was deduced. Good control over mol. weight is achieved for both the sulfinyl and the dithiocarbamate route (DTC). PPVs with mol. weights ranging from thousands to ten thousands g·mol^-1 were obtained. To allow for a meaningful anal. of the CTA influence, Mark-Houwink-Kuhn-Sakurada (MHKS) parameters were determined for conjugated MDMO-PPV ([2-methoxy-5-(3′,7′-dimethyloctyloxy)]-1,4-phenylenevinylene) to α = 0.809 and k = 0.00002 mL·g^-1. Further, high-endgroup fidelity of the CBr₄-derived PPVs was proven via chain extension experiments MDMO-PPV-Br was successfully used as macroinitiator in atom transfer radical polymerization (ATRP) with acrylates and styrene. A more polar PPV counterpart was chain extended by an acrylate in single-electron transfer living radical polymerization (SET-LRP). In a last step, copper-catalyzed azide alkyne cycloaddition (CuAAC) was used to synthesize block copolymer structures. Direct azidation followed by macromol. conjugation showed only partial success, while the successive chain extension via ATRP followed by CuAAC afforded triblock copolymers of the poly(p-phenylene vinylene)-block-poly(tert-Bu acrylate)-block-poly(ethylene glycol) (PPV-b- PtBuA-b-PEG). 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.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Formula: C16H34O《Strategic side-chain engineering approach for optimizing thermoelectric properties of isoindigo-based conjugated polymers》 was published in 2020. The authors were Yoon, Sang Eun;Shin, So Jeong;Lee, Sang Yeon;Jeon, Gyeong G.;Kang, Hyunwoo;Seo, Hyungtak;Zheng, Jian;Kim, Jong H., and the article was included in《ACS Applied Polymer Materials》. The author mentioned the following in the article:

Strategic side-chain engineering has led to an increase in the power factor of isoindigo-based conjugated polymers (CPs) by an order of magnitude. We investigated the effect of side chains on the elec. properties of doped isoindigo-based CPs and gained insight into structure-elec. property-thermoelec. transport intercorrelation for optimization of thermoelec. CPs. For this study, we designed and synthesized four isoindigo-based polymers having different types of alkyl chains. The size of the alkyl chains significantly affected the crystallinity of the films, which subsequently resulted in different charge carrier mobilities and diffusion efficiencies of the mol. dopant. Amorphous polymers with bulkier alkyl chains promoted efficient dopant diffusion while their carrier mobility was relatively lower than that of crystalline CPs. Systematic characterizations on the structural, elec., and thermoelec. properties of the CP films showed a trade-off effect for these side-chain structures for optimization of the thermoelec. effect, and with the optimized structure, we obtained a significantly improved power factor up to 37.8μW·m^-1·K^-2. This study suggests that exercising fine control of crystallinity through side-chain modification of the fixed polymer backbone can be a simple but very effective approach to maximizing organic thermoelec. effects of CPs. And 2-Hexyl-1-decanol (cas: 2425-77-6) was used in the research process.

2-Hexyl-1-decanol(cas: 2425-77-6) has been shown to inhibit the growth of b16 mouse melanoma cells, suggesting it may be useful for treating skin cancer.Formula: C16H34O This fatty acid also has transport properties and can form hydrogen bonds with other molecules.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhang, Leijiang;Wang, Bianna;Ma, Wenjie;Li, Bing;Liu, Yonglei;Du, Yunchen published 《Fe₃C/Fe nanoparticles decorated three-dimensional nitrogen-doped carbon foams for highly efficient bisphenol A removal through peroxymonosulfate activation》. The research results were published in《Chemical Engineering Journal (Amsterdam, Netherlands)》 in 2022.Name: 4-(2-Phenylpropan-2-yl)phenol The article conveys some information:

The design of heterogeneous catalysts has become one of the most important steps in the popularization of advanced oxidation processes for wastewater remediation. With a nitrate-assisted polymer-bubbling strategy, we prepared three-dimensional carbon foams decorated by commensal Fe₃C/Fe nanoparticles through a direct pyrolysis of the mixture of polyvinyl pyrrolidone and ferric nitrate nonahydrate. The as-obtained composites, Fe₃C/Fe@NCFs, are employed as heterogeneous peroxymonosulfate (PMS) activators to remove bisphenol A (BPA) in aquatic environments with a predetermined concentration It is found that both Fe₃C/Fe nanoparticles and N-doped carbon frameworks can activate PMS to release powerful oxidative species for BPA removal. The effect of pyrolysis temperature on the catalytic performance of Fe₃C/Fe@NCFs is studied in detail. The results reveal that high pyrolysis temperature induces the agglomeration of Fe₃C/Fe nanoparticles and the loss of N content, and low pyrolysis temperature only generates low-crystallinity carbon frameworks and small proportion of graphitic N configuration. Therefore, Fe₃C/Fe@NCFs from moderate temperature (700 °C) can produce the highest BPA removal efficiency. The synergy of Fe₃C/Fe nanoparticles and N-doped carbon frameworks, as well as the structure advantages is clearly established in comparison with some control samples. Quenching experiments and ESR (EPR) tests indicate that BPA can be degraded in both radical pathway and non-radical pathway, where SO·^–₄, ·O^–₂, and ¹O₂ are primary reactive species. In addition, the influences of some routine factors and actual water backgrounds were also investigated and analyzed comprehensively. To complete the study, the researchers used 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.Name: 4-(2-Phenylpropan-2-yl)phenol 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Name: (S)-2-Amino-2-(4-fluorophenyl)ethanol《Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity》 was published in 2018. The authors were Skepper, Colin K.;Moreau, Robert J.;Appleton, Brent A.;Benton, Bret M.;Drumm, Joseph E.;Feng, Brian Y.;Geng, Mei;Hu, Cheng;Li, Cindy;Lingel, Andreas;Lu, Yipin;Mamo, Mulugeta;Mergo, Wosenu;Mostafavi, Mina;Rath, Christopher M.;Steffek, Micah;Takeoka, Kenneth T.;Uehara, Kyoko;Wang, Lisha;Wei, Jun-Rong;Xie, Lili;Xu, Wenjian;Zhang, Qiong;de Vicente, Javier, and the article was included in《Journal of Medicinal Chemistry》. The author mentioned the following in the article:

In the preceding manuscript the authors described a successful fragment-based lead discovery (FBLD) strategy for discovery of bacterial phosphopantetheine adenylyltransferase inhibitors (PPAT, CoaD). Following several rounds of optimization two promising lead compounds were identified: triazolopyrimidinone (I) and 4-azabenzimidazole (II). Here the authors disclose the efforts to further optimize these two leads for on-target potency and Gram-neg. cellular activity. Enabled by a robust x-ray crystallog. system, the authors’ structure-based inhibitor design approach delivered compounds with biochem. potencies 4-5 orders of magnitude greater than their resp. fragment starting points. Addnl. optimization was guided by observations on bacterial permeability and physicochem. properties, which ultimately led to the identification of PPAT inhibitors with cellular activity against wild-type E. coli. The experimental procedure involved many compounds, such as (S)-2-Amino-2-(4-fluorophenyl)ethanol (cas: 224434-01-9) .

(S) – 2-amino-2 – (4-fluorophenyl) ethanol (cas: 224434-01-9) has the characteristics of alcohol. In general, the hydroxyl group makes alcohols polar. Those groups can form hydrogen bonds to one another and to most other compounds. Name: (S)-2-Amino-2-(4-fluorophenyl)ethanol

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Z. W.;Wang, J. H. published 《Analysis of volatile aroma compounds from five types of Fenghuang Dancong tea using headspace-solid phase microextraction combined with GC-MS and GC-olfactometry》 in 2021. The article was appeared in 《International Food Research Journal》. They have made some progress in their research.Application of 2425-77-6 The article mentions the following:

The present work describes the relationship between volatile aroma components and flavors of Fenghuang Dancong tea. Volatile aroma components of five types of Fenghuang Dancong tea namely Baxian, Milanxiang, Yulanxiang, Guihuaxiang, and Yinhuaxiang were extracted by headspace solid-phase microextraction (HS-SPME), then analyzed by gas chromatog.- mass spectrometry (GC-MS) technique and gas chromatog. olfactometry (GC-O) techniques. The GC-MS results showed that a total of 116 volatile components were detected, among which 21 (including alcs., esters, olefins, aldehydes, ketones, and alkanes) were commonly detected in all types of tea. Based on GC-O anal., 26 active ingredients that mainly contribute to grassy, sweet, floral, fruity, woody, and honey aromas were detected. Among these ingredients, four compounds including linalool oxide I, linalool, nerol, and neroli, which give floral, sweet, and honey aromas were abundant (with high aroma intensity) in all five types of tea. This suggests that these compounds are the main components contributing to the unique aroma of Fenghuang Dancong tea. The experimental procedure involved many compounds, such as 2-Hexyl-1-decanol (cas: 2425-77-6) .

2-Hexyl-1-decanol(cas: 2425-77-6) may be employed as an organic solvent to study the extraction of non-polar acidic drugs from human plasma by parallel artificial liquid membrane extraction (PALME). Application of 2425-77-6

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ascrizzi, Roberta;Flamini, Guido published 《Wild Harenna coffee: flavour profiling from the bean to the cup》. The research results were published in《European Food Research and Technology》 in 2020.Electric Literature of C10H22O The article conveys some information:

As one of the last places where coffee grows spontaneously, the Harenna forest (Ethiopia) is the origin of the coffee analyzed in this study. The anal. of the volatile emission of each processing phase evaluates the chem. fingerprint of the reactions taking place at each stage, leading to the final aroma. The green beans mainly emit non-terpene esters and alkanes. Once the roasting begins, monoterpenes are the main class until 160°C: at this point, 2,6-dimethylpyrazine prevails in the headspaces, as main product of the Maillard reactions. This compound, with its sweet and nut-like aroma, is also detected in the brewed coffee. The shed silverskins are rich in Me chavicol and retain the monoterpenes on the beans: as these compounds are important aroma contributors, the removal of the silverskins prior to roasting seems non-advisable. The grinding of the samples breaks the matrixes and leads to drastic changes in the volatile emissions. 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.Electric Literature of C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Aillon Garcia, Paula;Parga-Landa, Blanca published 《An improved proposal for using laminar copper as a biocidal material in touch surfaces in a hospital Intensive Care Unit (ICU)》. The research results were published in《Environmental Science and Pollution Research》 in 2021.Synthetic Route of C14H22O The article conveys some information:

The use of copper for reducing nosocomial infections or healthcare-acquired infections (HAI) has been carried out in intensive care units (ICU) by replacing some objects generally made of stainless steel or other materials with solid pieces of copper. The authors′ proposal for a sustainable use of copper consists of introducing it in a “lamina + adhesive” format. This proposal has been tested in an ICU at the Ceuta Hospital in Spain. It has been found to provide an equally efficient solution as antibacterial material than the usual “solid” format, but with only a layer of 50 μ of copper, which is a high-cost and limited resource. After that intervention, some improvements are also proposed: a standardization of the pieces chosen to cover with a lamina of copper for saving material; and another method of replacement aiming to lower the time that the ICU cannot be used. To ensure that the proposed bonding method is harmless to human health and the adhesive does not interfere with the indoor environment by releasing toxic chems., the “lamina + adhesive” sheet has been further tested. The results and proposals are briefly shown. The experimental procedure involved many compounds, such as 4-tert-Octylphenol (cas: 140-66-9) .

4-tert-Octylphenol(cas: 140-66-9) has been used as a reference standard for the determination of the analyte in water samples using ultra-high-performance liquid chromatography/tandem mass spectrometry (UHPLC/MS/MS).Synthetic Route of C14H22O

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Deng, Xiaolong;Chen, Yuan;Tan, Siqiao;Yuan, Zheming published 《QSAR study on toxicities of alcohol and phenol compounds》. The research results were published in《Huanjing Kexue Xuebao》 in 2016.Reference of 3,7-Dimethyloctan-3-ol The article conveys some information:

The toxicities and features of compounds were generally presented as a non-linear relationship. The compound mol. descriptors calculated by the quantum chem. methods contained numerous irrelevant and redundant features. Although widely used, the current version of minimal redundancy maximal relevance (mRMR) feature selection method was not applicable for continuous dependent variable and the measurement of relevance and redundancy was incomparable. For quant. structure-activity relationship (QSAR), both dependent variables (toxicities) and independent variables (mol. descriptors) were usually continuous. Therefore, we used distance correlation (dCor) to replace Pearson correlation coefficient (R) to solve the measurement comparability between relevance and redundancy, and developed a new feature selection method named mRMR-dCor by combining mRMR with dCor in this work. Based on the inhouse feature selection method and support vector regression (SVR), the independent prediction results of three phenolic and alc. compounds datasets indicated that mRMR-dCor was superior to other reference feature selection methods in the prediction performance, with Q² of 0.954, 0.941 and 0.981, resp. Most of mol. descriptors selected by mRMR-dCor were also reported in previous literatures. Therefore, mRMR-dCor had broad application prospects in various domains such as QSAR and quant. structure-pharmacokinetics relationship.3,7-Dimethyloctan-3-ol (cas: 78-69-3) were involved in the experimental procedure.

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.Reference of 3,7-Dimethyloctan-3-ol Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts