Tag: 100-200

Comprehensive investigation of lactones and furanones in icewines and dry wines using gas chromatography-triple quadrupole mass spectrometry was written by Qian, Xu;Lan, Yibin;Han, Shen;Liang, Nana;Zhu, Baoqing;Shi, Ying;Duan, Changqing. And the article was included in Food Research International in 2020.Computed Properties of C10H18O2 This article mentions the following:

A number of lactones and furanones associated with pleasant odorants play a vital role in grape and wine aroma profiles. However, they are usually present at trace levels and are particularly challenging to measure. In this work, an optimized method based on solid-phase extraction (SPE) coupled with gas chromatog.-triple quadrupole mass spectrometry (GC-QqQ-MS/MS) was developed for simultaneous determination of 14 lactones and 3 furanones. The validation was carried out using different types of wine as matrixes, and satisfactory linearity, sensitivity, trueness and precision were confirmed. Furaneol and sotolon showed significantly lower limits of detection (LODs) in three real wines compared to model wine due to the matrix effect. Furthermore, the method was successfully applied to investigate the concentration range of lactones and furanones in several icewines, dry red and white wines. Icewines contained higher concentrations of most lactones and furanones compared with dry red and white wines. Partial least squares-discriminate anal. (PLS-DA) also indicated that γ-hexa-, γ-octa-, γ-nona-, γ-deca-, δ-hexa-, and δ-decalactone, as well as 5,6-dihydro-6-pentyl-2H-pyran-2-one (C10 massoia lactone), sotolon and homofuraneol contributed greatly to the discrimination between icewines and dry wines. Moreover, the calculation of odor activity value (OAV) suggested that γ-octa-, γ-nona-, and γ-decalactone, as well as furaneol and homofuraneol contributed greatest to the aroma of icewines. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Computed Properties of C10H18O2).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. 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.Computed Properties of C10H18O2

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

Interaction studies of volatiles from jackfruit on α-phosphorene nanosheet-a DFT outlook was written by Nagarajan, V.;Bhavadharani, R. Keerthi;Chandiramouli, R.. And the article was included in Structural Chemistry in 2020.Quality Control of Isopentyl 3-methylbutanoate This article mentions the following:

The present report brings out the interaction between the black phosphorene nanosheet and volatile organic compounds (VOCs) originating from jackfruit using the first-principles calculation Using the cohesive formation energy, the stable nature of the phosphorene nanosheet is confirmed. The energy band structure provides the insights on the electronic properties of phosphorene nanosheet and the energy gap is detected to be 0.59 eV, showing semiconductor nature. Besides, present results reveal the interaction of VOC compounds emitted from jackfruit (during various ripening stages). The adsorption of VOCs on phosphorene nanosheet is in the following order isopentyl isovalerate > Bu isovalerate > isopentyl acetate > Bu acetate. The adsorption energy including energy gap, Bader charge transfer, and average energy gap variation clearly signifies the adsorption property of VOC compounds from jackfruit on phosphorene nanosheet, which serves as the fingerprint to estimate the jackfruit freshness. Also, by using energy band structure, electron d., and d. of states (DOS) maps, the adsorption property of VOC compounds have been explored. The result suggests that phosphorene sheets can be used as a sensing material to estimate the quality of jackfruit. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Quality Control of Isopentyl 3-methylbutanoate).

Isopentyl 3-methylbutanoate (cas: 659-70-1) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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.Quality Control of Isopentyl 3-methylbutanoate

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

Amomum tsao-ko essential oil, a novel anti-COVID-19 Omicron spike protein natural products: A computational study was written by Liu, Ju-Zhao;Lyu, Hong-Chang;Fu, Yu-Jie;Cui, Qi. And the article was included in Arabian Journal of Chemistry in 2022.Recommanded Product: 105-87-3 This article mentions the following:

Since the outbreak of COVID-19, this virus has been constantly mutating. The latest mutant Omicron has been identified as VOC by WHO. The main reason for its concern is the mutation of 46 amino acids in spike protein, which has brought the global epidemic prevention into another difficulty. Herbal aromatic plant Amomum tsao-ko was excavated from formula 1 and 2 for the treatment of COVID-19 in China, and its active components were extracted and identified. Mol. dynamics simulation and Fpocket were applied to find the key sites on RBDOmicron, and mol. docking was also used to reveal the interaction between A. tsao-ko essential oil (AEO) and RBDOmicron. The AEO components were analyzed and identified by GC/Q-TOF MS. There were 20 kinds of AEO with a relative area percentage of more than 1%, and they were related to the three active centers of RBDOmicron. In this study, virtual screening was used to mine the essential oil components of medicinal plants, and it was found that the components could interact with the spike protein RBD in aerosol to block the interaction of RBD and hACE2, thus cutting off the transmission route and protecting the host. This study has certain guiding significance in the modernization of Traditional Chinese medicine and the prevention of COVID-19. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Recommanded Product: 105-87-3).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) 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. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Recommanded Product: 105-87-3

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

Catalytic Version of Enediyne Cobalt-Mediated Cycloaddition and Selective Access to Unusual Bicyclic Trienes was written by Ventre, Sandrine;Simon, Cedric;Rekhroukh, Feriel;Malacria, Max;Amatore, Muriel;Aubert, Corinne;Petit, Marc. And the article was included in Chemistry – A European Journal in 2013.Computed Properties of C10H14O4 This article mentions the following:

The use of [Co(H)(PMe₃)₄] as a cobalt catalyst allowed the previously unattainable catalytic version of the cobalt-mediated cycloaddition of triynes and enediynes without the requirement for thermal or light activation. The importance of a chelating group on the substrate that can selectively direct the reaction pathway from enediynes I [X, Y = O, CH₂, (MeOCH₂)₂C; R¹ = H, EtO₂C, Ph, 4-F₃CC₆H₄, 4-MeOC₆H₄; R² = H, Me] toward the classical polycyclic 1,3-cyclohexadienes II or a new family of bicyclic trienes III [from I (R² = H)] is also demonstrated. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Computed Properties of C10H14O4).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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 C10H14O4

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

An electrochromic behavior of novel polythiophenes obtained from unsymmetrical monomers- a comprehensive study was written by Kula, S.;Szlapa-Kula, A.;Krompiec, S.;Gancarz, P.;Filapek, M.. And the article was included in Synthetic Metals in 2019.COA of Formula: C9H10O3S This article mentions the following:

The paper contains a comprehensive study regarding the synthesis and properties of novel polythiophenes, where bithiophene units are linked by phenylene bridges. In this work, four tetrasubstituted benzene monomers were synthesized with yields ranging from 41% to 69% by the cycloaddition reaction of [2 + 2 + 2]. 5-ethynyl-2,2′-bithiophene and appropriate β-ketoester were used as the substrates. Obtained compounds were designed so that the mol. was asym., i.e. possessing electron-withdrawing substituent (COOEt) in position 2, whereas in the 3rd position there were acceptor substituents. This provides a non-uniform electron d. distribution within the mol., which in turn should provide for the difference in oxidation potential of the individual bithiophene fragments. The influence of this architecture on the stability, electrochem. and electrochromic behavior was thoroughly studied. The polymers present a good stability during multiple p-doping. The exptl. results were also investigated theor., using DFT approach. Calculations of the frontier orbital energies and the corresponding E_g value were done for each polymer, by means of periodic boundary conditions. Furthermore, obtained polymers exhibit multistep electrochromism. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8COA of Formula: C9H10O3S).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) 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. 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.COA of Formula: C9H10O3S

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

Radical-Polar Crossover Annulation: A Platform for Accessing Polycyclic Cyclopropanes was written by Milligan, John A.;Burns, Kevin L.;Le, Anthony V.;Polites, Viktor C.;Wang, Zheng-Jun;Molander, Gary A.;Kelly, Christopher B.. And the article was included in Advanced Synthesis & Catalysis in 2020.Synthetic Route of C9H10O3 This article mentions the following:

An approach to the cyclopropanation of olefins e.g., I that are embedded within bicyclic scaffolds was described. Whereas these systems are notoriously recalcitrant toward classical cyclopropanation approaches, RPC cyclopropanation can be executed with ease, leading to polycarbocyclic and polyheterocyclic cyclopropanes e.g., II. The cyclopropanation proceeds through a photoredox-enabled Giese-type radical addition followed by an intramol. anionic substitution reaction on a neopentyl leaving group. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Synthetic Route of C9H10O3).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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. 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.Synthetic Route of C9H10O3

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

Small Molecule Microarray Based Discovery of PARP14 Inhibitors was written by Peng, Bo;Thorsell, Ann-Gerd;Karlberg, Tobias;Schueler, Herwig;Yao, Shao Q.. And the article was included in Angewandte Chemie, International Edition in 2017.Related Products of 14667-47-1 This article mentions the following:

Poly(ADP-ribose) polymerases (PARPs) are key enzymes in a variety of cellular processes. Most small-mol. PARP inhibitors developed to date have been against PARP1, and suffer from poor selectivity. PARP14 has recently emerged as a potential therapeutic target, but its inhibitor development has trailed behind. Herein, the authors describe a small mol. microarray-based strategy for high-throughput synthesis, screening of >1000 potential bidentate inhibitors of PARPs, and the successful discovery of a potent PARP14 inhibitor H10, I, with >20-fold selectivity over PARP1. Co-crystallization of the PARP14/H10 complex indicated H10 bound to both the nicotinamide and the adenine subsites. Further structure-activity relationship studies identified important binding elements in the adenine subsite. In tumor cells, H10 was able to chem. knockdown endogenous PARP14 activities. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Related Products of 14667-47-1).

Methyl 2-aminonicotinate (cas: 14667-47-1) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Related Products of 14667-47-1

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

Determination of volatile compounds during deterioration of African opaque beer using a stir bar sorptive extraction technique and gas chromatography-high resolution mass spectrometry was written by Ncube, Somandla;Dube, Simiso;Nindi, Mathew Muzi. And the article was included in Current Research in Food Science in 2020.Recommanded Product: 659-70-1 This article mentions the following:

Opaque beer traditional to African communities undergoes quick deterioration and is consumed within 7 days of its production The current study has utilized a stir bar sorptive extraction technique followed by GC-HRT determination to trace variations of 84 volatile compounds in four opaque beers commonly brewed in South Africa over the 7-day shelf life period. The major fruity esters were observed to increase up to Day 4 and eventually decreasing until Day 7 where their levels were finally lower than Day 1. Aldehydes reduced drastically and were less than 50% on Day 2 and becoming almost undetectable at Day 7. The common beer alcs. (phenylethyl alc. and 3-methyl-1-butanol) decreased during beer shelf life while phenolics with undesirable medicinal tastes (creosol and p-cresol) increased up to 24-fold by Day 7. This study might open future research perspectives around opaque beer traditional to African rural communities. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Recommanded Product: 659-70-1).

Isopentyl 3-methylbutanoate (cas: 659-70-1) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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: 659-70-1

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

Effect of Kaolin/Defoliation combined with dry ice on Lambrusco red wine production to constrain the effects of climate change was written by Montevecchi, G.;Masino, F.;Versari, A.;Ricci, A.;Nigro, G.;Antonelli, A.. And the article was included in South African Journal of Enology and Viticulture in 2021.Name: Ethyl 2-hydroxy-3-phenylpropanoate This article mentions the following:

Since viticulture is affected considerably by climate change, it is imperative to encourage research on new strategies in order to constrain these critical effects on the composition of berries and the quality of wines. A multi-strategy approach composed of (i) kaolin application on foliage, (ii) late tree defoliation and (iii) cryomaceration of grapes with dry ice was evaluated in the production of Lambrusco Salamino wines. Phys., chem. and sensory analyses were carried out on the sample set, including the control wines. In general, cryomaceration with dry ice proved to be a winning choice to lower alc. strength (roughly 5%). In addition, the wines showed an increase in anthocyanin content by approx. 17%, while the content of catechins, flavanols and hydroxycinnamic acids decreased. Consistent with the increase in the anthocyanin content, an increase in color indexes and sensory color intensity scores was observed As for the aromatic profile, 2-phenylethanol showed an increase of approx. 18% in the treated wines while, in parallel, a lower content of C₆ alcs. and volatile fatty acids was observed The multiple adaptation strategies put in place in the present study show an alternative way to mitigate the severe effects of climate change on wine production, and to face changing consumer demands. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Name: Ethyl 2-hydroxy-3-phenylpropanoate).

Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0) 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, including apples, durians, pears, bananas, pineapples, and strawberries. 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.Name: Ethyl 2-hydroxy-3-phenylpropanoate

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

Effects of lactic acid fermentation-based biotransformation on phenolic profiles, antioxidant capacity and flavor volatiles of apple juice was written by Wu, Caiyun;Li, Tianlin;Qi, Jing;Jiang, Tian;Xu, Huaide;Lei, Hongjie. And the article was included in LWT–Food Science and Technology in 2020.Category: esters-buliding-blocks This article mentions the following:

Apple juice (AJ) was fermented by six select lactic acid bacteria (LAB), namely Lactobacillus plantarum 90 (Lp90), Lactobacillus helveticus 76 (Lh76), Lactobacillus casei 37 (Lc37), Lactobacillus paracasei 01 (Lpc01), Lactobacillus acidophilus 85 (La85) and Bifidobacterium lactis 80 (Bla80). The effects of LAB fermentation on sugars and organic acids contents, phenolic profiles, antioxidant capacity and flavor volatiles of fermented AJ (FAJ) were investigated. Results showed that AJ was an excellent food matrix for LAB strains. Lh76 and Lp90 showed the highest viable counts of 12.7 log CFU/mL at the end of fermentation Lp90, La85 and Bla80 exhibited strong malolactic conversion capacity and finally produced lactic acid more than 6.5 mg/mL. In addtion, LAB fermentation significantly (p < 0.05) decreased the total phenols and flavonoids levels. However, antioxidant activities based on DPPH and FRAP methods were enhanced during fermentation, especially for La85 which exhibited dramatical DPPH radical scavenging activity (90.05%) and FRAP (0.96 mmol Trolox/L). The improvement of antioxidant activities was suggested to be related to the increase in caffeic acid and phlorizin contents. The anal. of flavor volatiles showed that LAB fermentation resulted in formation of seven new alcs. and six new esters, and improvement of ketones and aldehydes production In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Category: esters-buliding-blocks).

Methyl2-methylbutyrate (cas: 868-57-5) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Category: esters-buliding-blocks

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