Month: November 2022

Cervellieri, Salvatore; Lippolis, Vincenzo; Mancini, Erminia; Pascale, Michelangelo; Logrieco, Antonio Francesco; De Girolamo, Annalisa published the artcile< Mass spectrometry-based electronic nose to authenticate 100% Italian durum wheat pasta and characterization of volatile compounds>, SDS of cas: 112-63-0, the main research area is electronic nose durum wheat pasta volatile compound mass spectrometry; Authentication; Chemometrics; Durum wheat pasta; Geographical origin; MS-based electronic nose; Volatile organic compounds.

Headspace solid-phase microextraction (HS-SPME) coupled with mass spectrometry-based electronic nose (MS-eNose), in combination with multivariate statistical anal. was used as untargeted method for the rapid authentication of 100% Italian durum wheat pasta. Among the tested classification models, i.e. PCA-LDA, PLS-DA and SVMc, SVMc provided the highest accuracy results in both calibration (90%) and validation (92%) processes. Potential markers discriminating pasta samples were identified by HS-SPME/GC-MS anal. Specifically, the content of a pattern of 8 out of 59 volatile organic compounds (VOCs) was significantly different between samples of 100% Italian durum wheat pasta and pasta produced with durum wheat of different origins, most of which were related to different lipidic oxidation in the two classes of pasta. The proposed MS-eNose method is a rapid and reliable tool to be used for authenticating Italian pasta useful to promote its typicity and preserving consumers from fraudulent practices.

Food Chemistry published new progress about Durum wheat. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

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

Jockusch, Steffen; Tao, Chuanjuan; Li, Xiaoxu; Anderson, Thomas K.; Chien, Minchen; Kumar, Shiv; Russo, James J.; Kirchdoerfer, Robert N.; Ju, Jingyue published the artcile< A library of nucleotide analogues terminate RNA synthesis catalyzed by polymerases of coronaviruses that cause SARS and COVID-19>, Synthetic Route of 112-63-0, the main research area is antiviral drug RNA polymerase nucleotide analog COVID19 SARS; COVID-19; Exonuclease; Nucleotide analogues; RNA-Dependent RNA polymerase; SARS-CoV-2.

SARS-CoV-2, a member of the coronavirus family, is responsible for the current COVID-19 worldwide pandemic. We previously demonstrated that five nucleotide analogs inhibit the SARS-CoV-2 RNA-dependent RNA polymerase (RdRp), including the active triphosphate forms of Sofosbuvir, Alovudine, Zidovudine, Tenofovir alafenamide and Emtricitabine. We report here the evaluation of a library of nucleoside triphosphate analogs with a variety of structural and chem. features as inhibitors of the RdRps of SARS-CoV and SARS-CoV-2. These features include modifications on the sugar (2′ or 3′ modifications, carbocyclic, acyclic, or dideoxynucleotides) or on the base. The goal is to identify nucleotide analogs that not only terminate RNA synthesis catalyzed by these coronavirus RdRps, but also have the potential to resist the viruses′ exonuclease activity. We examined these nucleotide analogs for their ability to be incorporated by the RdRps in the polymerase reaction and to prevent further incorporation. While all 11 mols. tested displayed incorporation, 6 exhibited immediate termination of the polymerase reaction (triphosphates of Carbovir, Ganciclovir, Stavudine and Entecavir; 3′-OMe-UTP and Biotin-16-dUTP), 2 showed delayed termination (Cidofovir diphosphate and 2′-OMe-UTP), and 3 did not terminate the polymerase reaction (2′-F-dUTP, 2′-NH2-dUTP and Desthiobiotin-16-UTP). The coronaviruses possess an exonuclease that apparently requires a 2′-OH at the 3′-terminus of the growing RNA strand for proofreading. In this study, all nucleoside triphosphate analogs evaluated form Watson-Crick-like base pairs. The nucleotide analogs demonstrating termination either lack a 2′-OH, have a blocked 2′-OH, or show delayed termination. Thus, these nucleotide analogs are of interest for further investigation to evaluate whether they can evade the viral exonuclease activity. Prodrugs of five of these nucleotide analogs (Cidofovir, Abacavir, Valganciclovir/Ganciclovir, Stavudine and Entecavir) are FDA-approved medications for treatment of other viral infections, and their safety profiles are well established. After demonstrating potency in inhibiting viral replication in cell culture, candidate mols. can be rapidly evaluated as potential therapies for COVID-19.

Antiviral Research published new progress about Antiviral agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

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

Hong, Seung-Mo; Hwang, Seok-Ho published the artcile< Synthesis and Characterization of Multifunctional Secondary Thiol Hardeners Using 3-Mercaptobutanoic Acid and Their Thiol-Epoxy Curing Behavior>, HPLC of Formula: 112-63-0, the main research area is multifunctional secondary thiol hardener mercaptobutanoate epoxy curing.

3-Mercaptobutanoic acid (3-MBA) was synthesized by the less odorous Michael addition pathway using an isothiouronium salt intermediate. Using the synthesized 3-MBA, multifunctional secondary thiol (sec-thiol) compounds were obtained and applied to thiol-epoxy curing systems as hardeners. As the functionality of the sec-thiol hardeners increased, the purity of the product obtained after distillation decreased. The equivalent epoxy mixtures with multifunctional sec-thiol hardeners were evaluated based on their impact on the curing behavior in thiol-epoxy click reactions by differential scanning calorimetry. The thermal features of sec-thiol-epoxy click reactions in the presence of a base catalyst were assessed according to the functionality of the sec-thiol hardeners. Our results showed that sec-thiol hardeners with less reactivity to the epoxy group provide long-term storage stability for the formulated epoxy resin, promising for industrial applications.

ACS Omega published new progress about Crosslinking. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

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

Schatz, Devon J.; Kwon, Yonghoon; Scully, Thomas W.; West, F. G. published the artcile< Interrupting the Nazarov Cyclization with Bromine>, COA of Formula: C19H34O2, the main research area is divinyl ketone derivative tandem Nazarov cyclization pyridinium bromide perbromide; brominated cyclopentanone preparation.

The generation of dibrominated cyclopentanones via an interrupted Nazarov cyclization is reported. The installation of two Br atoms occurs at the α and α’ positions of the cyclopentanyl scaffold via successive nucleophilic and electrophilic bromination of the 2-oxidocyclopentenyl cation and its resulting enolate. Notably, the reaction proceeds with good diastereoselectivity, favoring the sym. product.

Journal of Organic Chemistry published new progress about Bromination, electrophilic. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

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

Liu, Chengwei; Ji, Chong-Lei; Hong, Xin; Szostak, Michal published the artcile< Palladium-Catalyzed Decarbonylative Borylation of Carboxylic Acids: Tuning Reaction Selectivity by Computation>, Application of C19H34O2, the main research area is palladium catalyst decarbonylative borylation carboxylic acid mol modeling; carboxylic acids; computational chemistry; decarbonylation; regioselectivity; transition-metal catalysis.

Decarbonylative borylation of carboxylic acids is reported. Carbon electrophiles are generated directly after reagent-enabled decarbonylation of the in situ accessible sterically-hindered acyl derivative of a carboxylic acid under catalyst controlled conditions. The scope and the potential impact of this method are demonstrated in the selective borylation of a variety of aromatics (>50 examples). This strategy was used in the late-stage derivatization of pharmaceuticals and natural products. Computations reveal the mechanistic details of the unprecedented C-O bond activation of carboxylic acids. By circumventing the challenging decarboxylation, this strategy provides a general synthetic platform to access arylpalladium species for a wide array of bond formations from abundant carboxylic acids. The study shows a powerful combination of experiment and computation to predict decarbonylation selectivity.

Angewandte Chemie, International Edition published new progress about Boronic acids, esters Role: SPN (Synthetic Preparation), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

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

Seo, Seok Kyoo; Lim, Jeewoo; Lee, Hyemin; Heo, Hyeonjun; Char, Kookheon published the artcile< Controlled spatial dispersion of CdSe tetrapod nanocrystals with amphiphilic block copolymer particles>, Name: Perfluorophenyl acrylate, the main research area is spatial dispersion CdSe tetrapod nanocrystal amphiphilic copolymer particle.

We report, for the first time, a nanoscale control of the spatial distribution of semiconducting tetrapod (TP) nanocrystals within block copolymer particles. Polystyrene (PS) block copolymer (BCP)/CdSe TP nanocrystal hybrid particles were prepared by the nanopptn. of TP/BCP mixtures into methanol. The BCPs consisted of short, polar terminal block bearing Me disulfide anchoring moiety which serves both to bind to CdSe TP surfaces as well as to drive self-assembly during nanopptn. into polar solvent systems. The resulting BCP/TP hybrid particles showed various spatial distribution and the number d. of TPs with respect to individual polymer particles depending on the d.p. of the block copolymer as well as the nature of the solvent in which nanopptn. was done.

Polymer published new progress about Acrylic polymers, fluorine-containing, block, diblock Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (styrene-containning). 71195-85-2 belongs to class esters-buliding-blocks, and the molecular formula is C9H3F5O2, Name: Perfluorophenyl acrylate.

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

Hegde, Guruprasad S.; Sundara, Ramaprabhu published the artcile< Entropy Stabilized Oxide Nanocrystals as Reaction Promoters in Lithium-O2 Batteries>, Category: esters-buliding-blocks, the main research area is lithium peroxide nanocrystal secondary battery electrochem performance.

Charge transport limitations at the Li2O2 discharge product-electrode interfaces hinder the rechargeability of Li-O2 batteries. Herein, we introduce entropy stabilized oxides (ESO) as reaction promoters in pos. electrodes that can facilitate charge transport by reducing the binding energy of the intermediates. In this work, we developed a rock-salt type entropy stabilized oxide. We show that the rock salt phase transforms into a pure, equimolar, quinary spinel on heat treatment. A Li-O2 battery with the developed ESOs at the pos. electrode is cycled with an areal capacity of 1 mAh cm-2 at a current rate of 0.25 mA cm-2 to study its role as a reaction promoter. The surface, bulk, and morphol. characterization are carried out for both materials. The presence of multiple cations and defects on the surface of the ESO is found to benefit the discharge product oxidation and improve the cyclic stability.

Batteries & Supercaps published new progress about Binding energy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

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

Sorrenti, Valeria; Vanella, Luca; Platania, Chiara Bianca Maria; Greish, Khaled; Bucolo, Claudio; Pittala, Valeria; Salerno, Loredana published the artcile< Novel heme oxygenase-1 (HO-1) inducers based on dimethyl fumarate structure>, Application of C19H34O2, the main research area is unsaturated dicarbonyl compound preparation heme oxygenase docking; HO-1 inducers; LX-2 cells; dimethyl fumarate (DMF); heme oxygenase (HO); hepatic fibrosis.

Novel heme oxygenase-1 (HO-1) inducers based on di-Me fumarate (DMF) structure I [R = H, 4-Me, 2-CO2H, etc.; R1 = Me, Ph, 4-ClC6H4, etc.; X = O, NH; Y = a bond, CH2, CH2CH2, CH2CH2CH2] were reported in this paper. These compounds were obtained by modification of the DMF backbone. Particularly, maintaining the α, β-unsaturated dicarbonyl function as the central chain crucial for HO-1 induction, different substituted or unsubstituted Ph rings are introduced by means of an ester or amide linkage. Sym. and asym. derivatives were synthesized. All compounds were tested on a human hepatic stellate cell line LX-2 to assay their capacity for modifying HO-1 expression. Compounds I [R = H, R1 = Ph, X = O, Y = null; R = 4-Cl, R1 = 4-ClC6H4, X = O, Y = null; R = H, R1 = Ph, X = NH, Y = CH2] stand out for their potency as HO-1 inducers, being 2-3 fold more active than DMF, and for their ability to reverse reactive oxygen species (ROS) production mediated using palmitic acid (PA). These properties, coupled with a low toxicity toward LX-2 cell lines, made these compounds potentially useful for treatment of diseases in which HO-1 overexpression may counteract inflammation, such as hepatic fibrosis. Docking studies showed a correlation between predicted binding free energy and exptl. HO-1 expression data. These preliminary results might support the development of new approaches in the management of liver fibrosis.

International Journal of Molecular Sciences published new progress about Anilines Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

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

Yu, Wei; Wang, Xiao-Ye; Li, Jing; Li, Zhi-Ting; Yan, Yu-Kun; Wang, Wei; Pei, Jian published the artcile< A photoconductive charge-transfer crystal with mixed-stacking donor-acceptor heterojunctions within the lattice>, HPLC of Formula: 112-63-0, the main research area is pyrene butyl viologen donor acceptor charge transfer complex photoconductivity.

A pyrene derivative as the donor and a butyl-viologen as the acceptor were used to construct a novel charge-transfer cocrystal consisting of mixed-stacking structure and having switchable photoconductivity stemming from the donor-acceptor heterojunctions within the lattice.

Chemical Communications (Cambridge, United Kingdom) published new progress about Electron acceptors. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

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

Hassler, Carla; Zhang, Yanan; Gilmour, Brian; Graf, Tyler; Fennell, Timothy; Snyder, Rodney; Deschamps, Jeffrey R.; Reinscheid, Rainer K.; Garau, Celia; Runyon, Scott P. published the artcile< Identification of Neuropeptide S Antagonists: Structure-Activity Relationship Studies, X-ray Crystallography, and in Vivo Evaluation>, Formula: C19H34O2, the main research area is diphenyltetrahydro oxazolo pyrazinone derivative preparation structure neuropeptide S antagonist.

Modulation of the neuropeptide S (NPS) system has been linked to a variety of CNS disorders such as panic disorder, anxiety, sleeping disorders, asthma, obesity, PTSD, and substance abuse. In this study, a series of diphenyltetrahydro-1H-oxazolo[3,4-α]pyrazin-3(5H)-ones were synthesized and evaluated for antagonist activity at the neuropeptide S receptor. The absolute configuration was determined by chiral resolution of the key synthetic intermediate, followed by anal. of one of the individual enantiomers by X-ray crystallog. The R isomer was then converted to a biol. active compound (34) that had a Ke of 36 nM. The most potent compound displayed enhanced aqueous solubility compared with the prototypical antagonist SHA-68 and demonstrated favorable pharmacokinetic properties for behavioral assessment. In vivo anal. in mice indicated a significant blockade of NPS induced locomotor activity at an i.p. dose of 50 mg/kg. This suggests that analogs having improved drug-like properties will facilitate more detailed studies of the neuropeptide S receptor system.

ACS Chemical Neuroscience published new progress about Central nervous system agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

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