Tag: 100-200

Network Analysis of the Herb-Drug Interactions of Citrus Herbs Inspired by the “Grapefruit Juice Effect” was written by Lu, Jintao;Zhang, Dan;Zhang, Xiaomeng;Sa, Rina;Wang, Xiaofang;Wu, Huanzhang;Lin, Zhijian;Zhang, Bing. And the article was included in ACS Omega in 2022.Formula: C10H20O2 The following contents are mentioned in the article:

This study was performed to investigate the herb-drug interactions (HDIs) of citrus herbs (CHs), which was inspired by the “grapefruit (GF) juice effect”. Based on network anal., a total of 249 components in GF and 159 compounds in CHs exhibited great potential as active ingredients. Moreover, 360 GF-related genes, 422 CH-related genes, and 111 genes associated with drug transport and metabolism were collected, while 25 and 26 overlapping genes were identified. In compound-target networks, the degrees of naringenin, isopimpinellin, apigenin, sinensetin, and isoimperatorin were higher, and the results of protein-protein interaction indicated the hub role of UGT1A1 and CYP3A4. Conventional drugs such as erlotinib, nilotinib, tamoxifen, theophylline, venlafaxine, and verapamil were associated with GF and CHs via multiple drug transporters and drug-metabolizing enzymes. Remarkably, GF and CHs shared 48 potential active compounds, among which naringenin, tangeretin, nobiletin, and apigenin possessed more interactions with targets. Drug metabolism by cytochrome P 450 stood out in the mutual mechanism of GF and CHs. Mol. docking was utilized to elevate the protein-ligand binding potential of naringenin, tangeretin, nobiletin, and apigenin with UGT1A1 and CYP3A4. Furthermore, in vitro experiments demonstrated their regulating effect. Overall, this approach provided predictions on the HDIs of CHs, and they were tentatively verified through mol. docking and cell tests. Moreover, there is a demand for clin. and exptl. evidence to support the prediction. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Formula: C10H20O2).

Octyl acetate (cas: 112-14-1) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Formula: C10H20O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Environmental performance of an industrial biofilter: Relationship between photochemical oxidation and odorous impacts was written by Reyes, J.;Gutierrez, M. C.;Toledo, M.;Vera, L.;Sanchez, L.;Siles, J. A.;Martin, M. A.. And the article was included in Environmental Research in 2020.Computed Properties of C11H22O2 The following contents are mentioned in the article:

Biol. techniques are widely used to treat gaseous streams derived from waste treatment plants. The generation of volatile organic compounds (VOCs) is one of the principal pollution sources in composting facilities from which nuisance odours are released. In addition, the generation of photochem. smog with other gases such as NO_X can produce ozone at ground level due to their photochem. ozone creation potential (POCP). In this work, the performance of an industrial biofilter was evaluated from an environmental point of view. Specifically, this study evaluated the potential impact in terms of photochem. oxidation and odor emission derived from composting in a vessel under four different aeration conditions. Gas chromatog.-time-of-flight mass spectrometry (GC-TOFMS) was used to perform the chem. characterization of the gaseous streams, while dynamic olfactometry was used to carry out the sensorial anal. A total of 95 compounds belonging to 12 different families of VOCs were selected. Principal component anal. revealed the influence of each VOC family on each impact category and explained 88% of the total variance. Multivariate regression was used to study the correlation between photochem. oxidation and odor impact, which has never been reported before. The correlations obtained (r ≥ 0.97) evidenced the direct relationship between these two impacts. Photochem. oxidation and odor emission were proven to be important environmental impacts derived from composting facilities, whose abatement might be carried out by biofiltration systems. This study involved multiple reactions and reactants, such as Isopentyl hexanoate (cas: 2198-61-0Computed Properties of C11H22O2).

Isopentyl hexanoate (cas: 2198-61-0) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Computed Properties of C11H22O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Identification of VOCs from natural rubber by different headspace techniques coupled using GC-MS was written by Kamarulzaman, Nor H.;Le-Minh, Nhat;Stuetz, Richard M.. And the article was included in Talanta in 2019.COA of Formula: C8H16O2 The following contents are mentioned in the article:

Different extraction procedures were evaluated to assess their potential for measuring volatile organic compounds (VOCs) from raw rubber materials. Four headspace sampling techniques (SHS, DHS, HS-SPME and μ-CTE) were studied. Each method was firstly optimized to ensure their reliability in performance. Passive sampling was also compared as a rapid identification of background VOCs. 352 VOCs were identified, 71 from passive sampling and 281 from active headspace sampling, with 62 not previously reported (hexanenitrile, octanone, decanal, indole, aniline, anisole, alpha-pinene as well as pentanol and butanol). The volatiles belonged to a broad range of chem. classes (ketones, aldehydes, aromatics, acids, alkanes, alc. and cyclic) with their thermal effects (lower b.ps.) greatly affecting their abundance at a higher temperature Micro-chamber (μ-CTE) was found to be the most suitability for routine assessments due to its operational efficiency (rapidity, simplicity and repeatability), identifying 115 compounds from both temperatures (30 °C and 60 °C). Whereas, HS-SPME a widely applied headspace technique, only identified 75 compounds and DHS identified 74 VOCs and SHS only 17 VOCs. Regardless of the extraction technique, the highest extraction efficiency corresponded to aromatics and acids, and the lowest compound extraction were aldehyde and hydrocarbon. The interaction between techniques and temperature for all chem. groups were evaluated using two-way ANOVA (p-value is 0.000197) explaining the highly significant interactions between factors. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0COA of Formula: C8H16O2).

Methyl heptanoate (cas: 106-73-0) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.COA of Formula: C8H16O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Comparative study of different extraction processes for hemp (Cannabis sativa) seed oil considering physical, chemical and industrial-scale economic aspects was written by Devi, Vibha;Khanam, Shabina. And the article was included in Journal of Cleaner Production in 2019.Recommanded Product: 2253-73-8 The following contents are mentioned in the article:

Hemp (Cannabis sativa) seed oil is a rare source of nourishment for vegetarian diets due to the unique ratio of ω-6/ω-3 fatty acid as 3:1. It is beneficial for cardiovascular health, skin, hormonal balance, diabetes, etc. These oil benefits encourage the chem. industries for its intensive extraction to accomplish the quantity and quality of the product. Despite being various processes i.e. supercritical fluid extraction, Soxhlet, percolation, ultrasonication, pyrolysis, pretreatment processes etc., none of above is the best in all aspects. Therefore, the present study investigates different extraction processes for hemp oil and compared its industrial-scale economic assessment, extraction yield, oil compositions and physico-chem. properties. Central composite design was employed to optimize the parameters of supercritical fluid extraction and ultrasonication processes. Quadratic models (P < 0.05) for both processes were developed with satisfactory R² (>0.93). The maximum yield of 37.30% was estimated through ultrasonication treated Soxhlet process. Gas chromatog.-mass spectrometry demonstrated Soxhlet as the best-suited process while offering the optimum ω-6/ω-3 ratio. Further, gas chromatog.-mass spectrometry of hemp bio-oil obtained through pyrolysis identified the volatile and flammable materials to assure its suitability as bio-fuel. Economic analyses for different processes revealed supercritical fluid extraction as the most beneficial followed by Soxhlet, ultrasonication, ultrasonication treated Soxhlet and Soxhlet treated ultrasonication. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Recommanded Product: 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Recommanded Product: 2253-73-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Comparative study of different extraction processes for hemp (Cannabis sativa) seed oil considering physical, chemical and industrial-scale economic aspects was written by Devi, Vibha;Khanam, Shabina. And the article was included in Journal of Cleaner Production in 2019.Category: esters-buliding-blocks The following contents are mentioned in the article:

Hemp (Cannabis sativa) seed oil is a rare source of nourishment for vegetarian diets due to the unique ratio of ω-6/ω-3 fatty acid as 3:1. It is beneficial for cardiovascular health, skin, hormonal balance, diabetes, etc. These oil benefits encourage the chem. industries for its intensive extraction to accomplish the quantity and quality of the product. Despite being various processes i.e. supercritical fluid extraction, Soxhlet, percolation, ultrasonication, pyrolysis, pretreatment processes etc., none of above is the best in all aspects. Therefore, the present study investigates different extraction processes for hemp oil and compared its industrial-scale economic assessment, extraction yield, oil compositions and physico-chem. properties. Central composite design was employed to optimize the parameters of supercritical fluid extraction and ultrasonication processes. Quadratic models (P < 0.05) for both processes were developed with satisfactory R² (>0.93). The maximum yield of 37.30% was estimated through ultrasonication treated Soxhlet process. Gas chromatog.-mass spectrometry demonstrated Soxhlet as the best-suited process while offering the optimum ω-6/ω-3 ratio. Further, gas chromatog.-mass spectrometry of hemp bio-oil obtained through pyrolysis identified the volatile and flammable materials to assure its suitability as bio-fuel. Economic analyses for different processes revealed supercritical fluid extraction as the most beneficial followed by Soxhlet, ultrasonication, ultrasonication treated Soxhlet and Soxhlet treated ultrasonication. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Category: esters-buliding-blocks).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Quantitative structure-activity relationship (QSAR) modeling of EC₅₀ of aquatic toxicities for Daphnia magna was written by Katritzky, Alan R.;Slavov, Svetoslav H.;Stoyanova-Slavova, Iva S.;Kahn, Iiris;Karelson, Mati. And the article was included in Journal of Toxicology and Environmental Health in 2009.Product Details of 763-69-9 The following contents are mentioned in the article:

The exptl. EC₅₀ toxicities toward Daphnia magna for a series of 130 benzoic acids, benzaldehydes, phenylsulfonyl acetates, cycloalkane-carboxylates, benzanilides, and other esters were studied using the Best multilinear regression algorithm (BMLR) implemented in CODESSA. A modified quant. structure-activity relationships (QSAR) procedure was applied guaranteeing the stability and reproducibility of the results. Separating the initial data set into training and test subsets generated three independent models with an average R² of.735. A five-descriptor general model including all 130 compounds, constructed using the descriptors found effective for the independent subsets, was characterized by the following statistical parameters: R² =.712; R²_cv =.676; F = 61.331; s² = 0.6. The removal of two extreme outliers improved significantly the statistical parameters: R² =.759; R²_cv =.728; F = 77.032; s² = 0.499. The sensitivity of the general model to chance correlations was estimated by applying a scrambling procedure involving 20 randomizations of the original property values. The resulting R² =.192 demonstrated the high robustness of the model proposed. The descriptors appearing in the obtained models are related to the biochem. nature of the adverse effects. An addnl. study of the EC₅₀/LC₅₀ relationship for a series of 28 compounds (part of our general data set) revealed that these endpoints correlated with R² =.98. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Product Details of 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Product Details of 763-69-9

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Effect of Sr@ZnO nanoparticles and Ricinus communis biodiesel-diesel fuel blends on modified CRDI diesel engine characteristics was written by Soudagar, Manzoore Elahi M.;Mujtaba, M. A.;Safaei, Mohammad Reza;Afzal, Asif;Dhana, Raju V.;Ahmed, Waqar;Banapurmath, N. R.;Hossain, Nazia;Bashir, Shahid;Badruddin, Irfan Anjum;Goodarzi, Marjan;Shahapurkar, Kiran;Taqui, Syed Noeman. And the article was included in Energy (Oxford, United Kingdom) in 2021.COA of Formula: C8H16O2 The following contents are mentioned in the article:

The current study aims to evaluate the performance and emission characteristics of a modified common rail direct injection (CRDI) diesel engine fueled by Ricinus communis biodiesel (RCME20), diesel (80%), and their blends with strontium-zinc oxide (Sr@ZnO) nanoparticle additives. The Sr@ZnO nanoparticles were synthesized using aqueous precipitation of zinc acetate dehydrate and strontium nitrate. Several characterization tests were performed to study the morphol. and content of synthesized Sr@ZnO nanoparticles. The Sr@ZnO nanoparticles were steadily blended with RCME20-diesel fuel blend in mass fractions of 30, 60 and 90 ppm using a magnetic stirrer and ultrasonication process. For a long term stability of nanoparticles, Cetyl trimethylammonium bromide (CTAB) surfactant was added. The physicochem. properties of the fuel blends were measured using ASTM standards The CRDI engine was operated at two compression ratios 17.5 and 19.5, 1000 bar injection pressure, 23.5°BTDC injection timing and constant speed. For enhanced swirl and turbulence, and improved spray quality lateral swirl combustion chamber and 6-hole fuel injector were used. The compression ratio of 19.5 and 60 ppm of Sr@ZnO nano-additives showed overall enhancement in engine characteristics compared to RCME20 fuel. The engine characteristics such as BTE, HRR and cylinder pressure increased by 20.83%, 24.35% and 9.55%, and BSFC, ID, CD, smoke, CO, HC and CO₂ reduced by 20.07%, 20.64%, 14.5%, 27.90%, 47.63%, 26.81%, and 34.9%, while slight increase in NOx for all nanofuel blends was observed This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0COA of Formula: C8H16O2).

Methyl heptanoate (cas: 106-73-0) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. COA of Formula: C8H16O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Impact of a combined pulsed electric field (PEF) and enzymatic mash treatment on yield, fermentation behaviour and composition of white wine was written by Fauster, T.;Philipp, C.;Hanz, K.;Scheibelberger, R.;Teufl, T.;Nauer, S.;Scheiblhofer, H.;Jaeger, H.. And the article was included in European Food Research and Technology in 2020.Recommanded Product: 2198-61-0 The following contents are mentioned in the article:

The aim of this work was to study the combined application of a pulsed elec. field (PEF) and an enzymic treatment to white wine mash. The resulting impact of membrane permeabilisation by electroporation and pectin degradation by enzymes on fermentation behavior and quality of white wine was assessed. The mash of two varieties, Traminer and Gruner Veltliner, was PEF treated (3 and 10 kJ/kg) using a continuous co-linear treatment chamber. Pectinases were added immediately afterwards and maceration was performed for 4 and 24 h. Various physico-chem. parameters were analyzed at different stages of the production process and the impact of the combined treatment on volatile compounds such as esters and terpenes was analyzed by gas chromatog.-mass spectrometry and a sensory panel in the final white wine after bottling and storage. Regardless of the PEF treatment intensity, the variety and the maceration time, the release of juice was not significantly influenced. For Traminer, the fermentation time was reduced through the enhanced extraction of nitrogen from 322 to 359 mg/L due to PEF treatment (10 kJ/kg). The release of phenols which were localized in the pulp, were significantly more affected than phenols from the skin. Although the concentration of selective esters especially of the variety Traminer significantly increased, the sensory evaluation indicated no pos. effect on the olfactory properties. Overall, the combination of PEF and enzyme pretreatment showed benefits in reducing the fermentation time and increasing the content of selective esters for Traminer. This study involved multiple reactions and reactants, such as Isopentyl hexanoate (cas: 2198-61-0Recommanded Product: 2198-61-0).

Isopentyl hexanoate (cas: 2198-61-0) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Recommanded Product: 2198-61-0

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Impact of a combined pulsed electric field (PEF) and enzymatic mash treatment on yield, fermentation behaviour and composition of white wine was written by Fauster, T.;Philipp, C.;Hanz, K.;Scheibelberger, R.;Teufl, T.;Nauer, S.;Scheiblhofer, H.;Jaeger, H.. And the article was included in European Food Research and Technology in 2020.Related Products of 112-14-1 The following contents are mentioned in the article:

The aim of this work was to study the combined application of a pulsed elec. field (PEF) and an enzymic treatment to white wine mash. The resulting impact of membrane permeabilisation by electroporation and pectin degradation by enzymes on fermentation behavior and quality of white wine was assessed. The mash of two varieties, Traminer and Gruner Veltliner, was PEF treated (3 and 10 kJ/kg) using a continuous co-linear treatment chamber. Pectinases were added immediately afterwards and maceration was performed for 4 and 24 h. Various physico-chem. parameters were analyzed at different stages of the production process and the impact of the combined treatment on volatile compounds such as esters and terpenes was analyzed by gas chromatog.-mass spectrometry and a sensory panel in the final white wine after bottling and storage. Regardless of the PEF treatment intensity, the variety and the maceration time, the release of juice was not significantly influenced. For Traminer, the fermentation time was reduced through the enhanced extraction of nitrogen from 322 to 359 mg/L due to PEF treatment (10 kJ/kg). The release of phenols which were localized in the pulp, were significantly more affected than phenols from the skin. Although the concentration of selective esters especially of the variety Traminer significantly increased, the sensory evaluation indicated no pos. effect on the olfactory properties. Overall, the combination of PEF and enzyme pretreatment showed benefits in reducing the fermentation time and increasing the content of selective esters for Traminer. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Related Products of 112-14-1).

Octyl acetate (cas: 112-14-1) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Related Products of 112-14-1

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Exploring the influence of grape tissues on the concentration of wine volatile compounds was written by Blackford, C. L.;Trengove, R. D.;Boss, P. K.. And the article was included in Australian Journal of Grape and Wine Research in 2022.Electric Literature of C11H22O2 The following contents are mentioned in the article:

Knowledge of varietal wine flavor and aroma compounds has improved, but gaps exist concerning how grape composition impacts wine style. This work aimed to explore the influence that different grape tissues can have on the volatile profiles of wines. Riesling and Cabernet Sauvignon berries were separated into skin, flesh and seeds. Two sets of fermentations were performed using separated tissues: one using an equal mass of each tissue and another where the amount of each tissue in 25 g of berries was fermented. When an equal mass of tissue was used, the seed-derived wines had a higher concentration of esters than that produced from other grape tissues. Those produced using skins had the highest concentration of lipoxygenase pathway-derived compounds, and, for Riesling, a higher concentration of monoterpenes. When the proportional amounts of each tissue found per berry were used, the flesh-derived wines generally had a higher concentration of many wine volatiles compared to the other tissues. This reflects the greater proportion of flesh tissue in the berry compared to skin and seeds. Seed-derived compounds can enhance ester biosynthesis during fermentation and skins appear to have high lipoxygenase pathway activity. Nevertheless, the flesh makes up such a large proportion of the whole berry that it has the major influence on volatile profiles of whole berry fermentations Different berry tissues can alter wine composition in unique ways, and this can inform strategies to alter wine composition through vineyard management or the selection of new germplasm. This study involved multiple reactions and reactants, such as Isopentyl hexanoate (cas: 2198-61-0Electric Literature of C11H22O2).

Isopentyl hexanoate (cas: 2198-61-0) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Electric Literature of C11H22O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics