Month: October 2022

Amtawong, Jaruwan; Skjelstad, Bastian Bjerkem; Handford, Rex C.; Suslick, Benjamin A.; Balcells, David; Tilley, T. Don published the artcile< C-H Activation by RuCo3O4 Oxo Cubanes: Effects of Oxyl Radical Character and Metal-Metal Cooperativity>, Electric Literature of 76-84-6, the main research area is carbon hydrogen bond activation ruthenium cobalt oxo cubane; oxyl radical preparation character metal cooperativity.

High-valent multimetallic-oxo/oxyl species have been implicated as intermediates in oxidative catalysis involving proton-coupled electron transfer (PCET) reactions, but the reactive nature of these oxo species has hindered the development of an in-depth understanding of their mechanisms and multimetallic character. The mechanism of C-H oxidation by previously reported RuCo3O4 cubane complexes bearing a terminal RuV-oxo ligand, with significant oxyl radical character, was investigated. The rate-determining step involves H atom abstraction (HAA) from an organic substrate to generate a Ru-OH species and a carbon-centered radical. Radical intermediates are subsequently trapped by another equivalent of the terminal oxo to afford isolable radical-trapped cubane complexes. D. functional theory (DFT) reveals a barrierless radical combination step that is more favorable than an oxygen-rebound mechanism by 12.3 kcal mol-1. This HAA reactivity to generate organic products is influenced by steric congestion and the C-H bond dissociation energy of the substrate. Tuning the electronic properties of the cubane (i.e., spin d. localized on terminal oxo, basicity, and redox potential) by varying the donor ability of ligands at the Co sites modulates C-H activations by the RuV-oxo fragment and enables construction of structure-activity relationships. These results reveal a mechanistic pathway for C-H activation by high-valent metal-oxo species with oxyl radical character and provide insights into cooperative effects of multimetallic centers in tuning PCET reactivity.

Journal of the American Chemical Society published new progress about C-H bond activation. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Electric Literature of 76-84-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Engleder, Matthias; Mueller, Monika; Kaluzna, Iwona; Mink, Daniel; Schuermann, Martin; Leitner, Erich; Pichler, Harald; Emmerstorfer-Augustin, Anita published the artcile< Exploring Castellaniella defragrans linalool (de)hydratase-isomerase for enzymatic hydration of alkenes>, Quality Control of 78-70-6, the main research area is Castellaniella defragrans; dehydratase; geraniol; hydratase; isomerase; linalool; monoterpene hydration; myrcene; tertiary alcohol.

Acyclic monoterpenes constitute a large and highly abundant class of secondary plant metabolites and are, therefore, attractive low-cost raw materials for the chem. industry. To date, numerous biocatalysts for their transformation are known, giving access to highly sought-after monoterpenoids. In view of the high selectivity associated with many of these reactions, the demand for enzymes generating com. important target mols. is unabated. Here, linalool (de)hydratase-isomerase (Ldi, EC 4.2.1.127) from Castellaniella defragrans was examined for the regio- and stereoselective hydration of the acyclic monoterpene β-myrcene to (S)-(+)-linalool. Expression of the native enzyme in Escherichia coli allowed for identification of bottlenecks limiting enzyme activity, which were investigated by mutating selected residues implied in enzyme assembly and function. Combining these analyses with the recently published 3D structures of Ldi highlighted the precisely coordinated reduction-oxidation state of two cysteine pairs in correct oligomeric assembly and the catalytic mechanism, resp. Subcellular targeting studies upon fusion of Ldi to different signal sequences revealed the significance of periplasmic localization of the mature enzyme in the heterologous expression host. This study provides biochem. and mechanistic insight into the hydration of β-myrcene, a nonfunctionalized terpene, and emphasizes its potential for access to scarcely available but com. interesting tertiary alcs.

Molecules published new progress about 78-70-6. 78-70-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C10H18O, Quality Control of 78-70-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Xue, Guiren; Su, Shanshan; Yan, Pengfei; Shang, Jiawei; Wang, Jianxin; Yan, Chengye; Li, Jiaxi; Wang, Qiao; Xiong, Xue; Xu, Huijun published the artcile< Integrative analyses of widely targeted metabolomic profiling and derivatization-based LC-MS/MS reveals metabolic changes of Zingiberis Rhizoma and its processed products>, Application In Synthesis of 87-73-0, the main research area is metabolomic profiling Zingiberis Rhizoma; Chemical derivatization; Differentiate; Processed products; Widely targeted metabolomic analysis; Zingiberis Rhizoma.

Zingiberis Rhizoma (ZR) has nutritional value and application potentiality, while Zingiberis Rhizoma Praeparatum (ZRP) and Carbonised Ginger (CG) are two main processed products of ZR based on different methods. Here, we performed a widely targeted metabolomics method with Sequential Windowed Acquisition of all Theor. fragment ions (SWATH) mode to analyze differential metabolites in ZR, ZRP and CG. Addnl., the chem. derivatization was applied to characterize different submetabolomes and improve the separation effect and MS response of metabolites. In total, 369 metabolites were identified and divided into 14 categories, 104 of which were differential metabolites. Our results suggest that carbohydrates, nucleotides, organic acids, vitamins, lipids, indoles, alkaloids, and terpenes contributed to a downward trend after processing, but the maximum content of flavanones, phenylpropanes and polyphenols appeared in ZRP, and that of alcs. appeared in CG. These findings serve as promising perspectives for developing functional food in ZR, ZRP and CG.

Food Chemistry published new progress about Metabolomics. 87-73-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H10O8, Application In Synthesis of 87-73-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lenger, Stacy M.; Bradley, Megan S.; Thomas, Debbie A.; Bertolet, Marnie H.; Lowder, Jerry L.; Sutcliffe, Siobhan published the artcile< D-mannose vs other agents for recurrent urinary tract infection prevention in adult women: a systematic review and meta-analysis>, Product Details of C6H12O6, the main research area is human D mannose urinary tract infection prevention meta analysis; D-mannose; UTI; nonantibiotic; nutraceutical; prevention; recurrent urinary tract infection; urinary tract infection.

We performed a systematic review and meta-anal. to determine whether D-mannose reduces urinary tract infection recurrence (ie, cumulative incidence) in adult women with recurrent urinary tract infection compared with other prevention agents. Secondary outcomes included side effects and compliance with D-mannose use. Ovid Medline 1946-, Embase 1947-, Scopus 1823-, Cochrane Library, Web of Science 1900-, and ClinicalTrials.gov were searched through 4/15/2020. Systematic review inclusion: randomized controlled trials, prospective cohorts, and retrospective cohorts written in English of women ≥18 years old with recurrent urinary tract infection in which D-mannose was utilized as an outpatient prevention regimen. Systematic review exclusion: lab or animal-based research, study protocols only, and conference abstracts Meta-anal. inclusion: stated D-mannose dose, follow-up time ≥6 mo, a comparison arm to D-mannose, and data available from women ≥18 years of age. Two independent reviewers made abstract, full text, and data extraction decisions. Study methodol. quality was assessed using the Cochrane Risk of Bias tool. Relative risks, confidence intervals, and heterogeneity were computed. Searches identified 776 unique citations. Eight publications met eligibility: 2 using D-mannose only; 6 using D-mannose combined with another treatment. Seven studies were prospective: 2 randomized controlled trials, 1 randomized cross-over trial, and 4 prospective cohort studies. One retrospective cohort study was included. Three studies met meta-anal. eligibility (1 randomized controlled trial, 1 randomized cross-over trial, and 1 prospective cohort). Pooled relative risk of urinary tract infection recurrence comparing D-mannose to placebo was 0.23 (95% confidence interval, 0.14-0.37; heterogeneity = 0%; D-mannose n = 125, placebo n = 123). Pooled relative risk of urinary tract infection recurrence comparing D-mannose to preventative antibiotics was 0.39 (95% confidence interval, 0.12-1.25; heterogeneity = 88%; D-mannose n = 163, antibiotics n = 163). Adverse side effects were reported in 2 studies assessing D-mannose only (1 study (n = 10) reported none; the other reported a low incidence (8/103 participants) of diarrhea). Two studies reported compliance, which was high. D-mannose appears protective for recurrent urinary tract infection (vs placebo) with possibly similar effectiveness as antibiotics. Overall, D-mannose appears well tolerated with minimal side effects-only a small percentage experiencing diarrhea. Meta-anal. interpretation must consider the small number of studies with varied study design and quality and the overall small sample size.

American Journal of Obstetrics and Gynecology published new progress about Back pain. 3458-28-4 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H12O6, Product Details of C6H12O6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Fu, Xuegang; Wang, Yue; Liu, Liu; Li, Caifeng; Huang, Lin; Huang, Jianhui published the artcile< KOtBu/O2 Mediated Dehydrogenation of N-Heterocycles, Alcohols>, SDS of cas: 403-41-8, the main research area is heterocyclic compound preparation green chem; tetrahydroheterocyclic compound dehydrogenation; ketone preparation; alc dehydrogenation.

A convenient dehydrogenation of a number of N,O-containing heterocycles e.g., 1,2,3,4-tetrahydroquinoline and carbocycles RCH(OH)R1 (R = Ph, 3,4-dimethoxyphenyl, naphthalen-2-yl, pyridin-2-yl, etc.; R1 = Me, OH, t-Bu, Ph, Cy) and 1,2,3,4-tetrahydronaphthalen-1-ol with readily available inorganic base (KOtBu) and oxygen is reported. The oxidation process is proved to be an SRN1 pathway followed by a radical elimination. This radical process has opened up the possibilities for the development of new superoxide mediated synthetic methodologies using KOtBu as the single electron reductant.

ChemistrySelect published new progress about Aromatic alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 403-41-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H9FO, SDS of cas: 403-41-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhong, Mingbing; Gagne, Yohann; Hope, Taylor O.; Pannecoucke, Xavier; Frenette, Mathieu; Jubault, Philippe; Poisson, Thomas published the artcile< Copper-Photocatalyzed Hydroboration of Alkynes and Alkenes>, Computed Properties of 10602-04-7, the main research area is copper photocatalyst diphosphinoxanthene diphosphinophenoxazine phenanthroline complex preparation electrochem absorbance; hydroboration alkyne alkene copper photocatalyst preparation stereoselective regioselective mechanism; mol structure optimized boronic ester free energy enthalpy dissociation; boryl radical; continuous flow; copper; hydroboration; photocatalysis.

The photocatalytic hydroboration of alkenes and alkynes is reported. The use of newly-designed copper photocatalysts with B2Pin2 permits the formation a boryl radical, which is used for hydroboration of a large panel of alkenes and alkynes. The hydroborated products were isolated in high yields, with excellent diastereoselectivities and a high functional group tolerance under mild conditions. The hydroboration reactions were developed under continuous flow conditions to demonstrate their synthetic utility. The reaction mechanism was studied and suggested an oxidation reaction between an in situ formed borate and the Cu-photocatalyst in its excited state for the boryl radical formation.

Angewandte Chemie, International Edition published new progress about Activation enthalpy. 10602-04-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C9H8O, Computed Properties of 10602-04-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Fontaine, Fanny; Hequet, Arnaud; Voisin-Chiret, Anne-Sophie; Bouillon, Alexandre; Lesnard, Aurelien; Cresteil, Thierry; Jolivalt, Claude; Rault, Sylvain published the artcile< First identification of boronic species as novel potential inhibitors of the Staphylococcus aureus NorA efflux pump>, Recommanded Product: 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, the main research area is boron compound transport protein NorA Staphylococcus.

Overexpression of efflux pumps is an important mechanism of bacterial resistance that results in the extrusion of antimicrobial agents outside the bacterial cell. Inhibition of such pumps appears to be a promising strategy that could restore the potency of existing antibiotics. The NorA efflux pump of Staphylococcus aureus confers resistance to a wide range of unrelated substrates, such as hydrophilic fluoroquinolones, leading to a multidrug-resistance phenotype. Here, 150 heterocyclic boronic species were evaluated for their activity against susceptible and resistant strains of S. aureus. Twenty-four hit compounds, although inactive when tested alone, were found to potentiate ciprofloxacin activity by a 4-fold increase at concentrations ranging from 0.5 to 8 μg/mL against S. aureus 1199B, which overexpresses NorA. Boron-free analogs showed no biol. activity, thus revealing that the boron atom is crucial for biol. activity. This work describes the first reported efflux pump inhibitory activity of boronic acid derivatives

Journal of Medicinal Chemistry published new progress about Antibacterial agents. 660867-80-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H18BNO2, Recommanded Product: 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhang, Youcan; Geng, Hui-Qing; Wu, Xiao-Feng published the artcile< Palladium-Catalyzed Carbonylative Four-Component Synthesis of β-Perfluoroalkyl Amides>, SDS of cas: 627-27-0, the main research area is perfluoroalkyl amide preparation chemoselective; alkene perfluoroalkyl halide amine perfluoroalkylation aminocarbonylation tandem; aminocarbonylation; multicomponent reaction; palladium catalyst; perfluoroalkylation; β-perfluoroalkyl amides.

Transition-metal-catalyzed multicomponent carbonylation is one of the most efficient strategies to construct carbonyl-containing compounds Herein, a palladium-catalyzed four-component perfluoroalkylation/aminocarbonylation of unactivated alkenes with perfluoroalkyl halides, and amines was developed. A wide range of substrates, including anilines, alkylamines, sulfonamides, and hydrazines are all suitable reaction partners for this catalyst system, resulting in various β-perfluoroalkyl amides with good functional-group tolerance and excellent chemoselectivity. Furthermore, not only alkyl olefins, but also aliphatic alkynes, and even alkyl allenes can all be employed. Notably, several medical and bioactive related mols. are compatible here as well.

Chemistry – A European Journal published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, SDS of cas: 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hofmann, Natalie; Homberg, Leonard; Hultzsch, Kai C. published the artcile< Synthesis of tetrahydroquinolines via borrowing hydrogen methodology using a manganese PN3 pincer catalyst>, Reference of 5344-90-1, the main research area is tetrahydroquinoline preparation.

A straightforward and selective synthesis of 1,2,3,4-tetrahydroquinolines starting from 2-aminobenzyl alcs. and simple secondary alcs. is reported. This one-pot cascade reaction is based on the borrowing hydrogen methodol. promoted by a manganese (I) PN3 pincer complex. The reaction selectively leads to 1,2,3,4-tetrahydroquinolines thanks to a targeted choice of base. This strategy provides an atom-efficient pathway with water as the only byproduct. In addition, no further reducing agents are required.

Organic Letters published new progress about 5344-90-1. 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, Reference of 5344-90-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Arruda, Henrique Silvano; Silva, Eric Keven; Pereira, Gustavo Araujo; Meireles, M. Angela A.; Pastore, Glaucia Maria published the artcile< Inulin thermal stability in prebiotic carbohydrate-enriched araticum whey beverage>, Name: (2S,3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol, the main research area is araticum whey beverage inulin carbohydrate prebiotic thermal stability.

Inulin is a prebiotic carbohydrate widely used in the food industry due to its health-related claims and its ability to modify/improve the technol. properties of food products. However, industrial processes such as thermal treatments, can cause structure changes in prebiotic carbohydrates affecting their health benefits and technol. properties, but these aspects have received little attention. Therefore, this study aimed to evaluate the impact of thermal treatments (70-100°C/60 s) on inulin chem. stability in a dairy system, araticum flavoured whey beverage. Compared with untreated whey beverage, the thermally processed whey beverages did not exhibit any changes in pH (5.59), total soluble solids (24.63-25.19°Brix), glucose (16.11-17.97 mg/mL), fructose (17.75-19.49 mg/mL), sucrose (89.00-94.14 mg/mL) and lactose (61.59-67.19 mg/mL). The chromatog. anal. displayed no significant differences in content (GF2-GF4 ranged from 3.04 to 3.28 mg/mL) and profile of inulin (average DP = 10) between untreated and thermally processed beverages, showing that inulin had strong ability to resist thermal degradation in a dairy system. This study has provided consistent and clear results regarding inulin thermal stability, showing that inulin can be successfully added in thermally processed com. dairy beverages without prejudice to their prebiotic properties.

LWT–Food Science and Technology published new progress about Annona crassiflora. 492-62-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H12O6, Name: (2S,3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts