Month: October 2022

Graton, J.; Besseau, F.; Goupille, A.; Le Questel, J.-Y. published the artcile< Hydrogen-bond acidity of silanols: A combined experimental and theoretical study>, Name: Triphenylmethanol, the main research area is quantum chem hydrogen bond acidity silanol.

The hydrogen-bond (H-bond) donating ability of a series of silanol derivatives has been determined by FTIR spectrometry and complemented by quantum chem. calculations at the DFT (MPWB1K/6-31+G(d,p)) level. The equilibrium constants of complexation with N-methylpyrrolidinone have been measured in CCl4 solutions These data expand the pKAHY scale previously covering the field of aliphatic alcs., phenols and fluorohydrins. Compared to the corresponding alc. derivatives, the silanol chem. function is a stronger H-bond donor, although the observed frequency shifts, ΔνOH, suggest much greater differences in donor strength than is actually observed The electrostatic potential descriptor, Vα(r), is successfully used to complete the pKAHY vs. Vα(r) relationship, a helpful methodol. to validate the exptl. data and to estimate the H-bond acidity of unavailable, unstable, or immiscible compounds

Journal of Molecular Structure published new progress about Acidity. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Name: Triphenylmethanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Firsin, I. D.; Chuchelkin, I. V.; Gavrilov, V. K.; Trunina, V. M.; Zimarev, V. S.; Zheglov, S. V.; Gavrilov, K. N.; Goulioukina, N. S. published the artcile< Chiral P*,S-bidentate diamidophosphites with 1,2-thioether alcohol-based exocyclic substituents in asymmetric Pd-catalyzed reactions>, COA of Formula: C8H10OS, the main research area is chiral bidentate diamidophosphite thioether alc exocyclic palladium catalyst.

Chiral P*,S-diamidophosphites with a 1,3,2-diazaphospholidine core and exocyclic 1,2-hydroxyl-thioether fragments were prepared These asym. inducers provided up to 86% ee in the Pd-catalyzed allylic substitution of (E)-1,3-diphenylallyl acetate with di-Me malonate and pyrrolidine, and up to 76% in the Pd-mediated allylic alkylation of cinnamyl acetate with Et 2-oxocyclohexane-1-carboxylate.

Phosphorus, Sulfur and Silicon and the Related Elements published new progress about Allylic alkylation catalysts, stereoselective. 699-12-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H10OS, COA of Formula: C8H10OS.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yin, Li-Ming; Sun, Meng-Chan; Si, Xiao-Ju; Yang, Dandan; Song, Mao-Ping; Niu, Jun-Long published the artcile< Nickel-Catalyzed anti-Markovnikov Hydrodifluoroalkylation of Unactivated Alkenes>, Product Details of C4H8O, the main research area is alkene difluoroalkyl bromide nickel catalyst regioselective anti Markovnikov hydrodifluoroalkylation; ethyldifluorooxo phenylamino alkanoate preparation.

An efficient Ni-catalyzed hydrodifluoroalkylation of unactivated alkenes with bromodifluoroacetate by using PhSiH3 as hydride source was developed. The transformation affords aliphatic difluorides with anti-Markovnikov regioselectivity. A wide range of highly remote alkenes, simple alkenes, drug mols., com. available CF2 precursors, and even nonfluorinated substrates are competent in this reaction under mild conditions, demonstrating the practicability of the strategy. Moreover, mechanistic studies indicated that the difluoroalkyl radical might be a key intermediate to this transformation.

Organic Letters 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, Product Details of C4H8O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Killiny, Nabil; Nehela, Yasser; George, Justin; Rashidi, Mahnaz; Stelinski, Lukasz L.; Lapointe, Stephen L. published the artcile< Phytoene desaturase-silenced citrus as a trap crop with multiple cues to attract Diaphorina citri, the vector of Huanglongbing>, Quality Control of 87-73-0, the main research area is phytoene desaturase citrus Diaphorina citri HLB infection; Attract and kill; Carotenoids; Citrus; Diaphorina citri; Electrical Penetration Graph; Phytoene desaturase; Trap crop.

Huanglongbing (HLB) is one of the most destructive diseases in citrus worldwide. Unfortunately, HLB has no cure and management relies on insecticides to reduce populations of the vector, Diaphorina citri Kuwayama (Hemiptera: Liviidae). We propose an attract-and-kill strategy using a trap crop as an alternative to vector control to reduce transmission of the pathogen, ‘Candidatus Liberibacter asiaticus’. We evaluated vector response to phytoene desaturase-silenced citrus trees using virus-induced gene silencing technol. Citrus tristeza virus (CTV) was used to produce a phytoene desaturase-silenced citrus (CTV-tPDS) that expresses visual, olfactory, and gustatory cues to attract D. citri. We found that D. citri were more attracted to CTV-tPDS plants with noticeably better fecundity and overall population fitness than on control plants. Moreover, rearing D. citri on CTV-tPDS plants significantly increased their survival probability compared with those reared on control plants. CTV-tPDS plants possessed reduced content of both carotenoid and chlorophyll pigments resulting in a consistent photobleached phenotype on citrus leaves which provided a sufficient close-range visual attractant to stimulate D. citri landing. Addnl., CTV-tPDS plants exhibited an enriched profile of volatile organic compounds (VOCs), which offered adequate olfactory cues to attract psyllid from long-range. Finally, CTV-tPDS plants exhibited an enriched metabolite content of phloem sap and leaves which offered appropriate gustatory cues that influenced probing/feeding behavior. We believe that introducing CTV-tPDS plants (as a trap crop) to D. citri-infested orchards will attract and congregate psyllids to facilitate their removal from the target crop with insecticides or by other means. This new strategy could be deployed relatively quickly and economically to HLB-impacted citrus industries. Moreover, it is an eco-friendly strategy because it should partially reduce the input of chem. insecticides ameliorating the indirect cost of HLB infection.

Plant Science (Shannon, Ireland) published new progress about Aversive behavior, taste aversion. 87-73-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H10O8, Quality Control of 87-73-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Goksel, Yaman; Zor, Kinga; Rindzevicius, Tomas; Thorhauge Als-Nielsen, Bodil Elise; Schmiegelow, Kjeld; Boisen, Anja published the artcile< Quantification of Methotrexate in Human Serum Using Surface-Enhanced Raman Scattering-Toward Therapeutic Drug Monitoring>, Electric Literature of 1492-18-8, the main research area is surface enhanced Raman spectroscopy therapeutic drug monitoring methotrexate blood; methotrexate; patient samples; point-of-care detection; quantitative SERS; surface-enhanced Raman scattering; therapeutic drug monitoring.

Therapeutic drug monitoring (TDM) can improve clin. care when using drugs with pharmacokinetic variability and a narrow therapeutic window. Rapid, reliable, and easy-to-use detection methods are required in order to decrease the time of anal. and can also enable TDM in resource-limited settings or even at bedside. Monitoring methotrexate (MTX), an anticancer drug, is critical since it is needed to follow the drug clearance rate and decide how to administer the rescue drug, leucovorin (LV), in order to avoid toxicity and even death. We show that with the optimized nanopillar-assisted separation (NPAS) method using surface-enhanced Raman scattering, we were able to measure MTX in PBS and serum in the linear range of 5-150μM and confirmed that MTX detection can be carried out even in the presence of LV. Addnl., when NPAS was combined with centrifugal filtration, a quantification limit of 2.1μM for MTX in human serum sample was achieved. The developed detection method enables fast detection (10 min) and quantification of MTX from human serum (>90% accuracy). Furthermore, we show the potential of the developed method for TDM, when quantifying MTX from clin. samples, collected from patients who are undergoing high-dose MTX therapy.

ACS Sensors published new progress about Blood analysis. 1492-18-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C20H21CaN7O7, Electric Literature of 1492-18-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Tallman, Keri A.; Allen, Luke B.; Klingelsmith, Korinne; Anderson, Allison; Genaro-Mattos, Thiago C.; Mirnics, Karoly; Porter, Ned A.; Korade, Zeljka published the artcile< Prescription Medications Alter Neuronal and Glial Cholesterol Synthesis>, Recommanded Product: (3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, the main research area is drug toxicity placenta blood brain barrier cholesterol neurodevelopmental disorder; antipsychotic antidepressant antiarrhythmic neuron astrocyte dehydrocholesterol DHCR7 enzyme; 7-DHC; DHCR7; DMG method; cholesterol; desmosterol; pharmaceuticals.

Mouse brain contains over 100 million neuronal, glial, and other support cells. Developing neurons and astrocytes synthesize their own cholesterol, and disruption of this process can occur by both genetic and chem. mechanisms. In this study we have exposed cultured murine neurons and astrocytes to six different prescription medications that cross the placenta and blood-brain barriers and analyzed the effects of these drugs on cholesterol biosynthesis by an LC-MS/MS protocol that assays 14 sterols and 7 oxysterols in a single run. Three antipsychotics (haloperidol, cariprazine, aripiprazole), two antidepressants (trazodone and sertraline), and an antiarrhythmic (amiodarone) inhibited one or more sterol synthesis enzymes. The result of the exposures was a dose-dependent increase in levels of various sterol intermediates and a decreased level of cholesterol in the cultured cells. Four prescription medications (haloperidol, aripiprazole, cariprazine, and trazodone) acted primarily on the DHCR7 enzyme. The result of this exposure was an increase in 7-dehydrocholesterol in neurons and astrocytes to levels that were comparable to those found in cultured neurons and astrocytes from transgenic mice that carried a Dhcr7 pathogenic mutation modeling the neurodevelopmental disorder Smith-Lemli-Opitz syndrome.

ACS Chemical Neuroscience published new progress about Antiarrhythmics. 434-16-2 belongs to class alcohols-buliding-blocks, and the molecular formula is C27H44O, Recommanded Product: (3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lafontaine, Scott; Varnum, Scott; Roland, Aurelie; Delpech, Stephane; Dagan, Laurent; Vollmer, Daniel; Kishimoto, Toru; Shellhammer, Thomas published the artcile< Impact of harvest maturity on the aroma characteristics and chemistry of Cascade hops used for dry-hopping>, Product Details of C10H18O, the main research area is hop oil ripening beer aroma thiol; 3-Mercaptohexanol (PubChem CID: 521348); 3-Mercaptohexylacetate (PubChem CID: 17774879); 4-Methyl-4-mercaptopentan-2-one (PubChem CID: 88290); Beer; Dry-hopping; Geraniol (PubChem CID: 637566); Harvest maturity; Hop quality; Humulone (PubChem CID: 442911); Humulus lupulus; Linalool (PubChem CID: 6549); Polyfunctional thiols; Sensory; β-Myrcene (PubChem CID: 31253).

The impact of ripening on the dry-hop aroma potential and chem. development of Cascade hops is not well understood. Therefore, 5-6 weekly hop samples were collected over the 2014, 2015 and 2016 harvests. Concentrations of humulones did not change as a function of harvest date, while total hop essential oil content displayed significant pos. trends. Concentrations of thiol precursors decreased over harvest while concentrations of free thiols increased. These weekly samples were used to dry-hop an unhopped base beer. Overall hop aroma intensity and citrus quality attributed to beer during dry-hopping increased as a function of harvest date. These results suggest that for brewers to maximize the efficiency of hop usage, early harvested Cascades might be better for bittering, while, later harvested Cascades might be better for dry-hopping or aroma additions because they attributed more intense citrus aromas to beer and had higher concentrations of free thiols and terpene alcs.

Food Chemistry published new progress about Beer. 78-70-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C10H18O, Product Details of C10H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Han, Qiao-Hong; Liu, Wen; Li, Hong-Yi; He, Jing-Liu; Guo, Huan; Lin, Shang; Zhao, Li; Chen, Hong; Liu, Yao-Wen; Wu, Ding-Tao; Li, Shu-Qing; Qin, Wen published the artcile< Extraction optimization, physicochemical characteristics, and antioxidant activities of polysaccharides from kiwifruit (Actinidia chinensis Planch.)>, Category: alcohols-buliding-blocks, the main research area is Actinidia polysaccharide antioxidant physicochem property; Actinidia chinensis Planch.; antioxidant activity; chemical structure; microwave-assisted extraction; polysaccharide; ultrasonic-assisted extraction.

In order to evaluate effects of extraction techniques on the physicochem. characteristics and antioxidant activities of kiwifruit polysaccharides (KPS), and further explore KPS as functional food ingredients, both microwave-assisted extraction (MAE) and ultrasonic-assisted extraction (UAE) were optimized for the extraction of KPS. Furthermore, the physicochem. structures and antioxidant activities of KPS extracted by different techniques were investigated. The optimal extraction conditions of UAE and MAE for the extraction of KPS were obtained by response surface methodol. Different extraction techniques significantly affected the contents of uronic acids, mol. weights, molar ratios of constituent monosaccharides, and the degree of esterification of KPS. Results showed that KPS exhibited remarkable DPPH and ABTS radical scavenging activities, and reducing power. The high antioxidant activities observed in KPS extracted by the MAE method (KPS-M) might be partially attributed to its low mol. weight and high content of unmethylated galacturonic acid. Results suggested that the MAE method could be a good potential technique for the extraction of KPS with high antioxidant activity, and KPS could be further explored as functional food ingredients.

Molecules published new progress about Actinidia chinensis. 3458-28-4 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H12O6, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Plestina, R.; Stoner, H. B.; Jones, Glenys; Butler, W. H.; Mattocks, A. R. published the artcile< Vascular changes in the lungs of rats after the intravenous injection of pyrrole carbamates>, Application of C6H9NO, the main research area is lung pathol pyrrole carbamate; monocrotaline derivative lung toxicity; alkaloid pyrrolizidine derivative lung.

Acute pulmonary edema was produced in mice and rats, after injection into a systemic vein, of 1-methyl-2-(N-ethylcarbamoyloxymethyl)pyrrole (I) [62435-67-0] and 1-methyl-2,3-bis(N-ethylcarbamoyloxymethyl)pyrrole (II) [36504-91-3], 2 synthetic compounds related to monocrotaline pyrrole. 1-Methyl-2-hydroxymethylpyrrole (III) [52160-51-7] and Et N-ethylcarbamate [623-78-9] had no such effect and although 3-(N-ethylcarbamoyloxymethyl)furan (IV) [50884-33-8] did not cause pleural effusion in rats it did in mice. Like monocrotaline pyrrole, the pyrrole carbamates, when injected into other vessels, produced edema in the region of the 1st capillary bed encountered. S labeling occurred in both the postcapillary venules and the capillaries of the lungs when colloidal C was injected i.v. after the pyrrole carbamates. Venular labeling occurred before capillary labeling, which occurred optimally when C was injected >4 h after the pyrrole. No C labeling was observed after IV injection. The effects of the synthetic pyrrole esters were similar to those of monocrotaline pyrrole. The pyrrole carbamates were less active on a mol. basis, but they had a broader action on the pulmonary vasculature, causing both venular and capillary labeling. The compounds required the pyrrole ring structure and ≥1 ester side-chain to affect the lungs acutely.

Journal of Pathology published new progress about Lung. 52160-51-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H9NO, Application of C6H9NO.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bharate, Sandip B.; Singh, Inder Pal published the artcile< A two-step biomimetic synthesis of antimalarial robustadials A and B>, HPLC of Formula: 4396-13-8, the main research area is phloroglucinol Vilsmeier Haak formylation; diformylphloroglucinol preparation isobutanal pinene Knoevenagel condensation Diels Alder cycloaddition; robustadial A B asym synthesis.

The antimalarial robustadials A and B have been synthesized in two steps starting from com. available phloroglucinol comprising a key biomimetic three-component reaction that involves in situ generation of an o-quinone methide via Knoevenagel condensation and subsequent Diels-Alder cycloaddition with (-)-β-pinene.

Tetrahedron Letters published new progress about Biomimetic synthesis. 4396-13-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H6O5, HPLC of Formula: 4396-13-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts