Month: February 2023

Discrimination and characterization of the volatile organic compounds in eight kinds of huajiao with geographical indication of China using electronic nose, HS-GC-IMS and HS-SPME-GC-MS was written by Feng, Xiya;Wang, Hongwei;Wang, Zhirong;Huang, Pimiao;Kan, Jianquan. And the article was included in Food Chemistry in 2022.Synthetic Route of C12H20O2 This article mentions the following:

Huajiao (Zanthoxylum bungeanum maxim. and Zanthoxylum armatum DC.) is a highly prized spice in China due to its distinctive aroma and taste. The volatile organic compounds (VOCs) of eight kinds of red and green huajiao which varied according to geog. indication of P. R. China were evaluated by electronic nose (E-nose), headspace solid-phase microextraction-gas chromatog.-mass spectrometry (HS-SPME-GC-MS) and headspace-gas chromatog.-ion mobility spectrometry (HS-GC-IMS). Results showed that red huajiao emitted more terpenes, esters, and fewer alcs. than green huajiao. Partial least squares-discriminant anal. based on GC-MS and GC-IMS data was revealed a good classifying tool for huajiao from different original habitats. Four and eight aroma substances were selected as the potential markers by the variable importance in projection (VIP) variable selection method, resp. The results of the current study provide a useful basis in the huajiao aroma difference study. Addnl., a rapid huajiao aroma anal. method using GC-IMS was developed. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Synthetic Route of C12H20O2).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) 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. Synthetic Route of C12H20O2

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

Aroma-volatile profile and its changes in Australian grown black Perigord truffle (Tuber melanosporum) during storage was written by Choo, Kenny S. O.;Bollen, Maike;Dykes, Gary A.;Coorey, Ranil. And the article was included in International Journal of Food Science and Technology in 2021.Category: esters-buliding-blocks This article mentions the following:

Black Perigord truffle (Tubermelanosporum) is one of the most expensive fungi in the world that appreciated by gourmets. Studies have indicated the impact of growing location and soil microorganisms on the aroma profile of truffle. The aroma profile of West Australian black Perigord truffle (Tuber melanosporum) has not been previously reported, which was studied over a 14 day storage period. Sixty-four compounds were identified in all truffle samples. Significant changes (P > 0.05) were observed in 11 key volatiles (carbon dioxide, acetaldehyde, 2-butanone, 3-methyl-1-butanal, toluene, 2-butenal, formic acid 2-Me Bu ester, 3-methyl-1-butanol, 6-methyl-2-heptanol, 3-octanol and DMSO) over time. Comparison of these results against published aroma profile of European grown black Perigord truffle identified number of significant similarities and differences were also detected. DMSO, a compound previously identified in European grown white truffle (Tuber magnatum), was detected. Principle component anal. (PCA) showed that the major changes in the truffle aroma profile took place in the first 7 days of storage. 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. 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. 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. Category: esters-buliding-blocks

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

Comprehensive characterization of the chemical composition of Lurong dabu decoction and its absorbed prototypes and metabolites in rat plasma using UHPLC-Q Exactive Orbitrap-HRMS was written by Jin, Yueying;Cheng, Shengyu;Liu, Ruobai;Yu, Chenglong;Zhang, Lingli;Li, Xi-Ling;Yan, Guanghai;Zheng, Mingyu;Zhe Min, Jun. And the article was included in Food Research International in 2022.Product Details of 106-79-6 This article mentions the following:

Lurong Dabu decoction (LRDBD) is an effective traditional Chinese Korean ethnic medicine prescription composed of eight herbs, which is used for treating asthma. However, its material basis has not been studied yet. Herein, the use of a new and highly sensitive UHPLC-Q Exactive Orbitrap-HRMS technique is proposed for the high-resolution and accurate identification of the material basis of LRDBD. We identified 122 compounds belonging to different groups in LRDBD. Among these, 23 ingredients produced by decoction were identified and compared with 8 single herb compounds Moreover, 39 other significantly different compounds were identified. Addnl., 29 absorbed prototype components and 35 metabolites were identified in rat plasma. Half of the prototype components were originated from antler velvet, it has corroborated the compatibility theory of Sasang medicine. To the best of our knowledge, the material basis of LRDBD was characterized for the first time. Our findings provide basic data and a method for further discovering potential drug targets and revealing the action mechanism of LRDBD in asthma treatment. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Product Details of 106-79-6).

Dimethyl decanedioate (cas: 106-79-6) 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. 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.Product Details of 106-79-6

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

Molecular characterization of primary humic-like substances in fine smoke particles by thermochemolysis-gas chromatography-mass spectrometry was written by Fan, Xingjun;Wei, Siye;Zhu, Mengbo;Song, Jianzhong;Peng, Ping’an. And the article was included in Atmospheric Environment in 2018.Recommanded Product: Dimethyl decanedioate This article mentions the following:

The mol. structures of primary humic-like substances (HULIS) in fine smoke particles emitted from the combustion of biomass materials (including rice straw, corn straw, and pine branches) and coal, and atm. HULIS were determined by off-line tetramethylammonium hydroxide thermochemolysis coupled with gas chromatog. and mass spectrometry (TMAH-GC/MS). A total of 89 pyrolyzates were identified by the thermochemolysis of primary and atm. HULIS. The main groups were polysaccharide derivatives, N-containing compounds, lignin derivatives, aromatic acid Me ester, aliphatic acid Me ester, and diterpenoid derivatives The aromatic compounds, including lignin derivatives and aromatic acid Me ester, were the major pyrolyzates (53.0%-84.9%) in all HULIS fractions, suggesting that primary HULIS significantly contributed aromatic structures to atm. HULIS. In addition, primary HULIS from biomass burning (BB) contained a relatively high abundance of lignin and polysaccharide derivatives, which is consistent with the large amounts of lignin and cellulose structures contained in biomass materials. Aliphatic acid Me ester and benzyl Me ether were prominent pyrolyzates in atm. HULIS. Diterpenoid derivatives are important markers of HULIS from pine wood combustion sources. The differences in pyrolyzate types and the distributions between primary and atm. HULIS suggested that the primary HULIS would undergo many atm. processes to reconstruct the macromol. organic matter in atm. aerosols. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Recommanded Product: Dimethyl decanedioate).

Dimethyl decanedioate (cas: 106-79-6) 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.Recommanded Product: Dimethyl decanedioate

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

Synthesis and structure of 3,7-dioxa-1-phosphabicyclo[3.3.1]nonanes was written by Oehme, H.;Leissring, E.;Meyer, H.. And the article was included in Zeitschrift fuer Anorganische und Allgemeine Chemie in 1980.Computed Properties of C11H20O4 This article mentions the following:

2,2-Bis(hydroxymethyl)-1-isopropylethylphosphine and 2,2-bis(hydroxymethyl)-1,1-dimethylethylphosphine, prepared by LiAlH₄ reduction of the appropriate 1-phosphonoalkylmalonate, react with BzH and anisaldehyde according to an acid catalyzed O,P-cycloacetalization to give dioxaphosphabicyclononane I (R¹ = H, R² = Me₂CH, R = Ph; R¹ = R² = Me, R = Ph, p-anisyl). Aliphatic aldehydes under the same conditions do not form the bicyclic system but give dioxanes II (R = Me, Et, Et₃C). The mechanism of the cyclocondensation reaction is discussed based on an alkoxycarbenium ion transition state. Although the relative configuration of the C-2,8-atoms could not really be proved, in particular the PH coupling constants indicate the C-2,8-protons to occupy the exo-positions. In the experiment, the researchers used many compounds, for example, Diethyl isobutylmalonate (cas: 10203-58-4Computed Properties of C11H20O4).

Diethyl isobutylmalonate (cas: 10203-58-4) 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. 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.Computed Properties of C11H20O4

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

Versatile Chemical Recycling Strategies: Value-Added Chemicals from Polyester and Polycarbonate Waste was written by Payne, Jack M.;Kamran, Muhammad;Davidson, Matthew G.;Jones, Matthew D.. And the article was included in ChemSusChem in 2022.HPLC of Formula: 106-79-6 This article mentions the following:

Zn^II-complexes bearing half-salan ligands were exploited in the mild and selective chem. upcycling of various com. polyesters and polycarbonates. Remarkably, we report the first example of discrete metal-mediated poly(bisphenol A carbonate) (BPA-PC) methanolysis being appreciably active at room temperature Indeed, Zn(2)₂ and Zn(2)Et achieved complete BPA-PC consumption within 12-18 mins in 2-Me-THF, noting high bisphenol A (BPA) yields (S_BPA=85-91%) within 2-4 h. Further kinetic anal. found such catalysts to possess k_app values of 0.28±0.040 and 0.47±0.049 min^-1 resp. at 4 wt%, the highest reported to date. A completely circular upcycling approach to plastic waste was demonstrated through the production of several renewable poly(ester-amide)s (PEAs), based on a terephthalamide monomer derived from bottle-grade poly(ethylene terephthalate) (PET), which exhibited excellent thermal properties. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6HPLC of Formula: 106-79-6).

Dimethyl decanedioate (cas: 106-79-6) 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. 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.HPLC of Formula: 106-79-6

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

Valuation and study of the activity of an essential oil extracted from a medicinal plant myrtle was written by Boussak, Hassina;Demim, Soraya;Hammadou, Souad;Loucif Seiad, Lynda. And the article was included in Materials Today: Proceedings in 2022.Name: (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate This article mentions the following:

The proposed study is to assess the inhibitory effect of a common myrtus plant species on strains responsible for urinary tract infections by the application of two different techniques, hydrodistillation and extraction by Soxhlet in order to obtain better yields and good characteristics of the oil. The yields obtained by hydrodistillation and Myrtle soxhlet are resp.: 10.06 and 13.33%. The physicochem. characterizations were carried out by CGSM. The antibacterial activity of Myrtle oil against Escherichia coli was remarkable with inhibition diameters greater than 20 mm. Myrtle oil inhibits the growth of yeasts and weakens the growth of Staphylococcus aureus which is said to have a bacteriostatic effect. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Name: (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate).

(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, including apples, durians, pears, bananas, pineapples, and strawberries. 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. Name: (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate

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

Semi-volatile organic compounds in fine particulate matter on a tropical island in the South China Sea was written by Liu, Zheng;Sun, Yuxin;Zeng, Yuan;Guan, Yufeng;Huang, Yuqi;Chen, Yuping;Li, Daning;Mo, Ling;Chen, Shejun;Mai, Bixian. And the article was included in Journal of Hazardous Materials in 2022.Category: esters-buliding-blocks This article mentions the following:

Measurements of hazardous semi-volatile organic compounds (SVOCs) in remote tropical regions are rare. In this study, polycyclic aromatic compounds (PACs) [including polycyclic aromatic hydrocarbons (PAHs), nitrated PAHs (NPAHs), and oxygenated PAHs (OPAHs)], organophosphate esters (OPEs), and phthalic acid esters (PAEs) were measured in fine particulate matter (PM₂.₅) at Yongxing Island in the South China Sea (SCS). The concentrations of PACs (median = 53.5 pg/m³) were substantially low compared with previous measurements. The concentration weighted trajectory (CWT) model showed that the eastern and southern China was the main source region of PAC, occurring largely during the northeast (NE) monsoon. The PM2.5 showed remarkably high concentrations of OPEs (median = 3231 pg/m³) and moderate concentrations of PAEs (13,013 pg/m³). Some Southeast Asian countries were largely responsible for their higher concentrations, driven by the tropical SCS monsoons. We found significant atm. loss of the SVOCs, which is an explanation for the low concentrations of PACs. Enhanced formation of N/OPAHs originated from tropical regions was also observed The pos. matrix factorization model was applied to apportion the SVOC sources. The results, as well as correlation analyses of the SVOC concentrations, further indicate insignificant local sources and enhanced atm. reactions on this island. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Category: esters-buliding-blocks).

Dicyclohexyl phthalate (cas: 84-61-7) 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. 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.Category: esters-buliding-blocks

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

Effects of Alkyl Chain Length of Aliphatic Dicarboxylic Ester on Degradation Properties of Aliphatic-Aromatic Water-Soluble Copolyesters for Warp Sizing was written by Li, Manli;Jin, Enqi;Qiao, Zhiyong;Zhao, Rongli. And the article was included in Fibers and Polymers in 2018.HPLC of Formula: 106-79-6 This article mentions the following:

In order to study the effects of alkyl chain length of aliphatic dicarboxylic ester (ADE) monomers on enzymic and hydrolytic degradation properties of aliphatic-aromatic water-soluble copolyesters for warp sizing, di-Me terephthalate, di-Me isophthalate-5-sulfonic sodium, and ADE monomers with various alkyl chain lengths were copolymerized through a two-step method, i.e. transesterification and polycondensation. The enzymic and hydrolytic degradation properties of the copolyesters were studied in terms of reduction rates of mol. weight, glass transition temperatures, and surface morphol. after being cultivated for 24-96 h. It was found that, enzymic degradation of the copolyesters strongly depended on alkyl chain length of ADE monomers. After being enzymically degraded for 96 h, reduction rate of mol. weight of the copolyester using di-Me malonate as ADE monomers could reach 22.2%. Meanwhile, the hydrolytic degradation of the copolyesters was not directly related to the alkyl chain length. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6HPLC of Formula: 106-79-6).

Dimethyl decanedioate (cas: 106-79-6) 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.HPLC of Formula: 106-79-6

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

An integrated approach toward NanoBRET tracers for analysis of GPCR ligand engagement was written by Killoran, Michael P.;Levin, Sergiy;Boursier, Michelle E.;Zimmerman, Kristopher;Hurst, Robin;Hall, Mary P.;Machleidt, Thomas;Kirkland, Thomas A.;Ohana, Rachel Friedman. And the article was included in Molecules in 2021.Product Details of 330794-35-9 This article mentions the following:

Gaining insight into the pharmacol. of ligand engagement with G-protein coupled receptors (GPCRs) under biol. relevant conditions is vital to both drug discovery and basic research. NanoLuc-based bioluminescence resonance energy transfer (NanoBRET) monitoring competitive binding between fluorescent tracers and unmodified test compounds has emerged as a robust and sensitive method to quantify ligand engagement with specific GPCRs genetically fused to NanoLuc luciferase or the luminogenic HiBiT peptide. However, development of fluorescent tracers is often challenging and remains the principal bottleneck for this approach. One way to alleviate the burden of developing a specific tracer for each receptor is using promiscuous tracers, which is made possible by the intrinsic specificity of BRET. Here, we devised an integrated tracer discovery workflow that couples machine learning-guided in silico screening for scaffolds displaying promiscuous binding to GPCRs with a blend of synthetic strategies to rapidly generate multiple tracer candidates. Subsequently, these candidates were evaluated for binding in a NanoBRET ligand-engagement screen across a library of HiBiT-tagged GPCRs. Employing this workflow, we generated several promiscuous fluorescent tracers that can effectively engage multiple GPCRs, demonstrating the efficiency of this approach. We believe that this workflow has the potential to accelerate discovery of NanoBRET fluorescent tracers for GPCRs and other target classes. In the experiment, the researchers used many compounds, for example, tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate (cas: 330794-35-9Product Details of 330794-35-9).

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate (cas: 330794-35-9) 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 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. Product Details of 330794-35-9

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