Author: tianli

Eissa, Ibrahim H.; Alesawy, Mohamed S.; Saleh, Abdulrahman M.; Elkaeed, Eslam B.; Alsfouk, Bshra A.; El-Attar, Abdul-Aziz M. M.; Metwaly, Ahmed M. published the artcile< Ligand and Structure-Based In Silico Determination of the Most Promising SARS-CoV-2 nsp16-nsp10 2'-o-Methyltransferase Complex Inhibitors among 3009 FDA Approved Drugs>, Recommanded Product: Calcium folinate, the main research area is SARSCoV2 nsp16 nsp10 complex inhibitor in silico mol docking; FDA approved drugs; MD simulations; MMPBSA; SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase; molecular docking; molecular fingerprints; structural similarity.

As a continuation of our earlier work against SARS-CoV-2, seven FDA-approved drugs were designated as the best SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase (2’OMTase) inhibitors through 3009 compounds The in silico inhibitory potential of the examined compounds against SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase (PDB ID: (6W4H) was conducted through a multi-step screening approach. At the beginning, mol. fingerprints experiment with SAM (S-Adenosylmethionine), the co-crystallized ligand of the targeted enzyme, unveiled the resemblance of 147 drugs. Then, a structural similarity experiment recommended 26 compounds Therefore, the 26 compounds were docked against 2’OMTase to reveal the potential inhibitory effect of seven promising compounds (Protirelin, (1187), Calcium folinate (1913), Raltegravir (1995), Regadenoson (2176), Ertapenem (2396), Methylergometrine (2532), and Thiamine pyrophosphate hydrochloride (2612)). Out of the docked ligands, Ertapenem (2396) showed an ideal binding mode like that of the co-crystallized ligand (SAM). It occupied all sub-pockets of the active site and bound the crucial amino acids. Accordingly, some MD simulation experiments (RMSD, RMSF, Rg, SASA, and H-bonding) have been conducted for the 2’OMTase-Ertapenem complex over 100 ns. The performed MD experiments verified the correct binding mode of Ertapenem against 2’OMTase exhibiting low energy and optimal dynamics. Finally, MM-PBSA studies indicated that Ertapenem bonded advantageously to the targeted protein with a free energy value of -43 KJ/mol. Furthermore, the binding free energy anal. revealed the essential amino acids of 2’OMTase that served pos. to the binding. The achieved results bring hope to find a treatment for COVID-19 via in vitro and in vivo studies for the pointed compounds

Molecules published new progress about Antiviral agents. 1492-18-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C20H21CaN7O7, Recommanded Product: Calcium folinate.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Hao; Jilili, Yikelamu; Zhen, Weijun; Zhao, Ling published the artcile< Preparation, performance and structure-properties relationship of poly(lactic acid)/modified saponite nanocomposites based on thiol-ene click chemistry>, Category: alcohols-buliding-blocks, the main research area is structure property relationship polylactic acid modified saponite nanocomposite.

Saponite (SA)-mercaptopropyl polyhedral oligomeric silsesquioxane (POSS-SH) grafted poly (L-lactic acid) (SA-POSS-PLLA) was synthesized by thiol-ene click chem. SA-POSS-PLLA was characterized by Fourier transform IR spectroscopy and XPS. When 0.3 wt% SA-POSS-PLLA was used as a modifier in poly(lactic acid) (PLA), the impact strength and elongation at break of PLA/SA-POSS-PLLA nanocomposites were increased by 1.73 times and 4.25 times compared with pure PLA, resp. The differential scanning calorimeter anal. showed that the crystallinity of PLA/SA-POSS-PLLA nanocomposites was increased from 7.74% to 30.32%. The addition of SA-POSS-PLLA increased the crystallization rate of PLA and significantly reduced the grain size of PLA, which also was proved by polarization optical microscopy anal. Rheonaut technol. for simultaneous rheometry and FTIR demonstrated that the reason why the addition of SA-POSS-PLLA nanoparticles accelerated the crystallization rate of PLA was that SA-POSS-PLLA nanoparticles promoted the adjustment of C-O-C structure and -CH3 group in the main mol. chain of PLA.

Polymer-Plastics Technology and Materials published new progress about Binding energy. 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Waiba, Satyadeep; Jana, Sayan K.; Jati, Ayan; Jana, Akash; Maji, Biplab published the artcile< Manganese complex-catalysed α-alkylation of ketones with secondary alcohols enables the synthesis of β-branched carbonyl compounds>, Computed Properties of 403-41-8, the main research area is aryl ketone secondary alc manganese complex alkylation; carbonyl compound preparation.

Herein, β-branched carbonyl compounds were synthesized via the α-alkylation of ketones with secondary alcs. under “”borrowing hydrogen”” catalysis. A wide range of secondary alcs., including various cyclic, acyclic, sym., and unsym. alcs., was successfully applied under the developed reaction conditions. A manganese(I) complex bearing a phosphine-free multifunctional ligand catalyzed the reaction and produced water as the sole byproduct.

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkylation. 403-41-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H9FO, Computed Properties of 403-41-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Takenaka, Ikuo Risa; Fujimura, Koji; Narukami, Shoji; Sasaki, Tomohiro; Maeda, Tsuneaki published the artcile< Quantitative determination of 2-ethyl-1-hexanol, texanol and TXIB in in-door air using a solid-phase extraction-type collection device followed by gas chromatography-mass spectrometry>, Product Details of C8H18O, the main research area is ethyl hexanol texanol TXIB air solid phase extraction GCMS; Semi-volatile organic compounds; gas chromatography–mass spectrometry; sample preparation; sick house syndrome.

In this study, in-door air semi-volatile organic compounds (SVOCs) including 2-ethyl- 1-hexanol, 2,2,4-trimethyl-1,3- pentanediol monoisobutyrate (texanol). and 2,2,4-trimethyl-1,3-pentanediol diisobutyrate (T M ), which are scheduled for adding as regulated compounds concerning indoor air reference values in Japan, were quant. extracted using a solid-phase extraction-type collection device, followed by sensitively determined by gas chromatog.-mass spectrometry. The developed method has shown a good extraction recovery up to an air sampling volume of 900 L. The extracted analytes were quant. and rapidly eluted by 7 mL of acetone. The limit of quantification of the analytes were 0.7, 2.1 and 0.2 ng L-1 in air sample at a sampling volume of 300 mL without any concentration of a desorption solvent. The developed method was applied to simultaneous determinations of the investigated target analytes and phthalate esters in real indoor air samples.

Analytical Sciences published new progress about Air analysis. 104-76-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H18O, Product Details of C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Eriksson, A.; Nyholm, L. published the artcile< Coulometric and spectroscopic investigations of the oxidation and reduction of some azosalicylic acids at glassy carbon electrodes>, Safety of Sodium 5,5′-(diazene-1,2-diyl)bis(2-hydroxybenzoate), the main research area is coulometry spectroscopy oxidation reduction azosalicylic acid glassy carbon electrode.

Constant potential coulometry in combination with cyclic voltammetry, UV-visible, 1H and 13C NMR spectroscopy were used to identify the oxidation and reduction products for some structurally similar azosalicylic acids, including the azosalicylic drugs Sulfasalazine and Olsalazine. The experiments were carried out in aqueous solutions at pH 4.5 to 10.0. Voltammetric and UV-visible spectroscopic comparisons involving standard substances confirm that all compounds studied, except 4,4′-azobis[2-hydroxybenzoic acid], are reduced in an overall four-electron process to their corresponding amines. For 4,4′-azobis[2-hydroxybenzoic acid], the reduction involves only two electrons and most likely gives rise to the corresponding hydrazo compound The oxidations of 3,3′-azobis[6-hydroxybenzoic acid] (Olsalazine), 3,3′-azoxybis[6-hydroxybenzoic acid] and 2-hydroxy-5-[(3′-carboxy-2′-hydroxyphenyl)azo]benzoic acid involve an initial two-electron step. Based on UV and NMR spectroscopic data, probably the oxidation of 3,3′-azobis-[6-hydroxybenzoic acid] gives rise to a 2,2′-dicarboxy-1,4-dibenzoquinone azine.

Electrochimica Acta published new progress about Coulometry. 6054-98-4 belongs to class alcohols-buliding-blocks, and the molecular formula is C14H8N2Na2O6, Safety of Sodium 5,5′-(diazene-1,2-diyl)bis(2-hydroxybenzoate).

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Nikoorazm, Mohsen; Ghorbani, Farshid; Ghorbani-Choghamarani, Arash; Erfani, Zahra published the artcile< Nickel Schiff base complex anchored on Fe3O4@MCM-41 as a novel and reusable magnetic nanocatalyst and its application in the oxidation of sulfides and oxidative coupling of thiols using H2O2>, HPLC of Formula: 699-12-7, the main research area is schiff base complex reusable magnetic nanocatalyst; sulfoxide preparation sulfide oxidation disulfide preparation thiol oxidative coupling.

A novel and reusable nanocatalyst was synthesized by anchoring a nickel Schiff base complex onto Fe3O4@MCM-41 (Fe3O4@MCM-41@Ni-P2C) and characterization was accomplished with Fourier transform IR spectroscopy (FT-IR), thermogravimetric anal. (TGA), powder X-ray diffraction (XRD), vibrating sample magnetometry (VSM), transmission electron microscopy (TEM), SEM (SEM) and at. absorption spectroscopy (AAS) techniques. This catalytic system was efficiently used for oxidation of sulfides to sulfoxides and oxidative coupling of thiols to corresponding disulfides using H2O2 as green oxidant at room temperature These reactions were carried out in a green solvent (ethanol) and/or under solvent-free conditions with short reaction time, complete selectivity and very high conversion under mild reaction conditions. More importantly, separation and recycling of this magnetic catalyst can be easily done through a simple and low cost magnetic separation process.

Phosphorus, Sulfur and Silicon and the Related Elements published new progress about Disulfides Role: SPN (Synthetic Preparation), PREP (Preparation). 699-12-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H10OS, HPLC of Formula: 699-12-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chimento, Adele; De Amicis, Francesca; Sirianni, Rosa; Sinicropi, Maria Stefania; Puoci, Francesco; Casaburi, Ivan; Saturnino, Carmela; Pezzi, Vincenzo published the artcile< Progress to improve oral bioavailability and beneficial effects of resveratrol>, Formula: C14H12O3, the main research area is review resveratrol oral bioavailability beneficial effect; resveratrol; resveratrol bioavailability; resveratrol delivery systems; resveratrol derivatives.

A review. Resveratrol (3,5,4′-trihydroxystilbene; RSV) is a natural nonflavonoid polyphenol present in many species of plants, particularly in grapes, blueberries, and peanuts. Several in vitro and in vivo studies have shown that in addition to antioxidant, anti-inflammatory, cardioprotective and neuroprotective actions, it exhibits antitumor properties. In mammalian models, RSV is extensively metabolized and rapidly eliminated and therefore it shows a poor bioavailability, in spite it of its lipophilic nature. During the past decade, in order to improve RSV low aqueous solubility, absorption, membrane transport, and its poor bioavailability, various methodol. approaches and different synthetic derivatives have been developed. In this review, we will describe the strategies used to improve pharmacokinetic characteristics and then beneficial effects of RSV. These methodol. approaches include RSV nanoencapsulation in lipid nanocarriers or liposomes, nanoemulsions, micelles, insertion into polymeric particles, solid dispersions, and nanocrystals. Moreover, the biol. results obtained on several synthetic derivatives containing different substituents, such as methoxylic, hydroxylic groups, or halogens on the RSV aromatic rings, will be described. Results reported in the literature are encouraging but require addnl. in vivo studies, to support clin. applications.

International Journal of Molecular Sciences published new progress about Arachis hypogaea. 501-36-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C14H12O3, Formula: C14H12O3.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Huang, Fei; Hong, Ruiyue; Zhang, Ruifen; Yi, Yang; Dong, Lihong; Liu, Lei; Jia, Xuchao; Ma, Yongxuan; Zhang, Mingwei published the artcile< Physicochemical and biological properties of longan pulp polysaccharides modified by Lactobacillus fermentum fermentation>, COA of Formula: C6H12O6, the main research area is polysaccharides modified by Lactobacillus fermentum fermentation; Biological activity; Fermentation; Longan polysaccharide.

Longan polysaccharides are valuable compounds with many biol. activities. Lactobacillus fermentum was selected to ferment longan pulp and the polysaccharides from unfermented and fermented longan pulp (denoted as LP and LP-F, resp.) were isolated. Their physicochem., immunomodulatory and prebiotic activities were investigated. The results revealed that LP-F, the mol. weight of which was lower than that of LP, contained less neutral sugar, uronic acid and glucose but more arabinose, galactose, rhamnose and mannose. Compared with LP, LP-F had better solubility, lower apparent viscosity and particle size. LP-F exhibited stronger stimulation on macrophages secretion of NO and IL-6, as well as better proliferation of Leuconostoc mesenteroides and Lactobacillus casei. In summary, fermentation treatment could change the physicochem. properties and enhance the bioactivity of polysaccharides from longan pulp.

International Journal of Biological Macromolecules published new progress about Dimocarpus longan (pulp). 3458-28-4 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H12O6, COA of Formula: C6H12O6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Tressl, Roland; Wondrak, Georg T.; Krueger, Ralph-Peter; Rewicki, Dieter published the artcile< New Melanoidin-like Maillard Polymers from 2-Deoxypentoses>, Application In Synthesis of 52160-51-7, the main research area is melanoidin Maillard polymer deoxypentose oligomerization antioxidant.

In the 2-deoxy-D-ribose/methyl 4-aminobutyrate Maillard system a trapped N-substituted 2-(hydroxymethyl)pyrrole is one of the major products. However, nontrapped representatives of this type of compound were hitherto not found in other Maillard model systems, indicating their extraordinary reactivity. Model experiments with 2-deoxy-D-ribose/methylamine enabled the detection of N-methyl-2-(hydroxymethyl)pyrrole and some derived linear oligomers as minor components. Consequently, N-methyl-2-(hydroxymethyl)pyrrole was synthesized and its oligomerization was studied under very mild acidic conditions. The deformylated dimeric bis(N-methyl-2-pyrrolyl)methane and trimeric N-methyl-2,5-bis(N-methyl-2-pyrrolylmethyl)pyrrole were characterized by GC/MS and NMR. Higher regular oligomers up to 6 N-methyl-2-pyrrolylmethyl units as well as corresponding dehydro-oligomers up to 12 units were identified by MALDI-TOF-MS. A complementary experiment starting with N-methyl-2-hydroxy[13C]methylpyrrole confirmed the structure and the oligomerization pathway. The possible significance of this type of model oligomer for the melanoidin formation in Maillard reactions is discussed. The antioxidative activity of the isolated dimer and trimer was tested in Fe(III)-thiocyanate and DPPH assays.

Journal of Agricultural and Food Chemistry published new progress about Antioxidants. 52160-51-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H9NO, Application In Synthesis of 52160-51-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts