Month: October 2022

Wheatley, David E.; Fontenelle, Clement Q.; Kuppala, Ramakrishna; Szpera, Robert; Briggs, Edward L.; Vendeville, Jean-Baptiste; Wells, Neil J.; Light, Mark E.; Linclau, Bruno published the artcile< Synthesis and Structural Characteristics of all Mono- and Difluorinated 4,6-Dideoxy-D-xylo-hexopyranoses>, Category: alcohols-buliding-blocks, the main research area is monosaccharide crystal structure free energy human deoxygenation deoxyfluorination; crystal structure free energy deoxyxylohexopyranose glycoside preparation protecting group.

Here, we report a detailed study on the synthesis of monosaccharides in which the hydroxy groups at their 4- and 6-positions are replaced by all possible mono- and difluorinated motifs. Minimization of protecting group use was a key aim. It was found that introducing electroneg. substituents, either as protecting groups or as deoxygenation intermediates, was generally beneficial for increasing deoxyfluorination yields. A detailed structural study of this set of analogs demonstrated that dideoxygenation/fluorination at the 4,6-positions caused very little distortion both in the solid state and in aqueous solution Unexpected trends in α/β anomeric ratios were identified. Increasing fluorine content always increased the α/β ratio, with very little difference between regio- or stereoisomers, except when 4,6-difluorinated.

Journal of Organic Chemistry published new progress about Crystal structure. 492-62-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H12O6, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Huajie; Hua, Jinjie; Jiang, Yongwen; Yang, Yanqin; Wang, Jinjin; Yuan, Haibo published the artcile< Influence of fixation methods on the chestnut-like aroma of green tea and dynamics of key aroma substances>, Computed Properties of 78-70-6, the main research area is green teachestnut aroma fixation method; Electromagnetic roller-hot air–steam triple fixation; Gas chromatography-tandem mass spectrometry (GC–MS); Infrared-assisted headspace coupled to solid-phase microextraction; Multiple experiment viewer (MEV); Odor activity value (OAV); Partial least-squares discriminant analysis (PLS-DA).

Fixation is the key process to ensure green tea quality; however, the effect of various fixation methods on the formation of green tea with a chestnut-like aroma and the evolution of key volatile compounds has not been assessed to date. In this study, we compared four types of fixation methods for green tea: roller-hot air-steam, roller-hot air, roller-steam, and single roller. IR-assisted headspace solid-phase microextraction and gas chromatog.-tandem dual mass spectrometry technol. were used to detect the volatile compounds of green tea samples during processing. Partial least-squares discriminant anal. (PLS-DA), multiple experiment viewer (MEV), odor activity value (OAV), and least-significant difference analyzes were then applied to clarify the best fixation method for forming a chestnut-like aroma and associated compounds, and to explore the change law of key volatile compounds using different green tea fixation processes. One hundred and eighty-four volatile compounds were detected in the processed samples, with roller-hot air fixation found as the optimal method for generating an intense and long-lasting chestnut-like aroma and floral taste, based on sensory evaluation. The PLS-DA model clearly distinguished the four kinds of fixation samples and obtained 32 differential volatile compounds Combining OAVs with screening by MEV anal., 2,6,10,10-tetramethyl-1-oxaspiro [4.5] dec-6-ene, linalool, cedrol, 3-methyl-butanal, trans-β-ionone, and τ-cadinol emerged as key differential volatile compounds between green teas with and without a chestnut-like aroma. The evolution of these six differential volatile compounds throughout the tea-making process confirmed that rolling-hot air coupling treatment is most conducive to produce a chestnut-like aroma, which is beneficial to form and transform 2,6,10,10-tetramethyl-1-oxaspiro[4.5] dec-6-ene, 3-methyl-butanal, and τ-cadinol with baking aromas and fruity substances. These results provide a theor. basis and tech. guidance for the precise and directional processing of high-quality green tea with a chestnut-like aroma.

Food Research International published new progress about Alcohols Role: FFD (Food or Feed Use), BIOL (Biological Study), USES (Uses). 78-70-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C10H18O, Computed Properties of 78-70-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wu, Jia-Xue; Yao, Qing-Xia; Duan, Wen-Zeng; Li, Da-Cheng; Huang, Xian-Qiang; Dou, Jian-Min; Wang, Huai-Wei published the artcile< RhIII-Catalyzed heteroarylation of N-2,6-difluorophenyl arylamides with heteroaryl boronate esters>, Formula: C12H18BNO2, the main research area is aryl heteroaryl amide preparation regioselective; difluorophenyl arylamide heteroaryl boronate ester heteroarylation rhodium.

Herein, an efficient strategy to achieve aryl-heteroaryl formation via RhIII-catalyzed ortho-C(sp2)-H heteroarylation of (hetero)arenes with heterocyclic boronates using a readily removable N-2,6-difluorophenyl arylamide directing group has been disclosed. A variety of heteroaromatic boronates as the coupling partners were shown to be able to participate in this protocol, providing the desired heteroarylated products with high reactivity and good tolerance of functional groups. The achievement of this C(sp2)-H heteroarylation could potentially offer a route to synthesize heterocyclic drug mols. in medicinal chem.

Organic Chemistry Frontiers published new progress about Aromatic amides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 660867-80-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C12H18BNO2, Formula: C12H18BNO2.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wikberg, Martin; Alderborn, Goeran published the artcile< Compression characteristics of granulated materials. IV. The effect of granule porosity on the fragmentation propensity and the compactibility of some granulations>, Application of C14H8N2Na2O6, the main research area is granulation granule porosity fragmentation compactibility; compression granulation tablet property.

Eleven granulations of a common filler (lactose) and 3 granulations of a high-dosage drug (dipentum) were produced by wet granulation with poly(vinylpyrrolidone) as binder in a high shear mixer. The agglomeration process was varied to produce granulations with varying granule porosity. The size fraction 500-710 μm was separated and characterized on binder content (lactose granulations), granule porosity and friability. The granule fragmentation during compaction was evaluated by measurements of the air permeability of the tablets. Finally, the diametral compression strength of tablets compacted from unlubricated granulations and lactose granulations lubricated with 0.5% by weight magnesium stearate at 150 MPa was measured. The results showed that the degree of granule fragmentation during compaction was related to the granule porosity before compaction. A granulation with a higher porosity had a higher fragmentation propensity, as evaluated by the permeametry measurements, and the tablet strength was less affected by magnesium stearate addition The tablet strength correlated well with the degree of fragmentation, i.e. a granulation with higher degree of fragmentation gave tablets of a higher mech. strength. Variations in compactibility, when the same formulation is wet granulated under different process conditions, can be explained by variations in granule porosity.

International Journal of Pharmaceutics published new progress about Pharmaceutical granules. 6054-98-4 belongs to class alcohols-buliding-blocks, and the molecular formula is C14H8N2Na2O6, Application of C14H8N2Na2O6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bennouna, Djawed; Tourniaire, Franck; Durand, Thierry; Galano, Jean-Marie; Fine, Frederic; Fraser, Karl; Benatia, Sheherazade; Rosique, Clement; Pau, Charlotte; Couturier, Charlene; Pontet, Celia; Vigor, Claire; Landrier, Jean-Francois; Martin, Jean-Charles published the artcile< The Brassica napus (oilseed rape) seeds bioactive health effects are modulated by agronomical traits as assessed by a multi-scale omics approach in the metabolically impaired ob-mouse>, SDS of cas: 87-73-0, the main research area is Brassica seed inflammation uridine asparagine mannitol valine; Bioactives; Brassica; Metabolomics; Phytochemicals; Transcriptomics.

Beside oil, oilseed rape (Brassica napus) seeds contains nutritional bioactives such as polyphenols and glucosinolates. However, to date their nutritional properties have been overlooked in the new “”double zero”” breeds. Seed alc. extracts from two B. napus cultivars most contrasting in their phytochem. contents as measured by mass-spectrometry were given to ob-mice. Biol. outcomes including clin. metrics, gut and plasma metabolomes, liver transcriptome and metabolome were compared to ob-mice given a similar broccoli extract (Brassica oleracea).One B. napus extract induced a reduction of the oxidative stress indicated by the decrease of plasma isoprostanoids. This was associated to the regulation of the antioxidant stress defense Nrf2 pathway, to omic oxidative stress functions, metabolic and cell process regulations, and the metabolomics microbiota profile.Extracts of B. napus seeds demonstrated health effects that may be improved by selecting appropriate agronomical traits, highlighting the potential benefits of better utilizing agronomy for improved human and animal nutrition

Food Chemistry: Molecular Sciences published new progress about Antioxidants. 87-73-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H10O8, SDS of cas: 87-73-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Ji-Sheng; Feng, Jun-Long; Dai, Heng-Heng; Chen, Zi-Long; Li, Xiao; Bao, Bing-Hao; Deng, Sheng; Meng, Fan-Chao; Zhao, Qi; Xu, Hong-Sheng; Wang, Bin; Li, Hai-Song published the artcile< Potential mechanism of Achyranthis bidentatae radix plus semen vaccariae granules in the treatment of diabetes mellitus-induced erectile dysfunction in rats utilizing combined experimental model and network pharmacology>, Computed Properties of 87-73-0, the main research area is Achyranthis bidentatae semen vaccariae granule DMED treatment network pharmacol; Endocrine diseases; biological network; penis; traditional Chinese medicine.

Achyranthes bidentata Blume (Amaranthaceae) (ABR) and semen vaccariae (SV) are used commonly in the clin. treatment of erectile dysfunction in males with diabetes mellitus (DMED) to strengthen the kidney and promote blood circulation, and often achieve good curative effects. Explore mechanistic details of ABR + SV treatment against DMED. Prediction of key targets by network pharmacol. A rat model of DM was established by streptozotocin injection (55 mg/kg). Apomorphine (100μg/kg) was injected into rats to screen the DMED model. Group C (n = 6) and group M (n = 6) were gavaged with deionized water; group T (n = 6) was given Achyranthis bidentatae radix-semen vaccariae granule suspension (2.5 g/kg). It lasted 8 wk. Real-time reverse transcription-quant. polymerase chain reaction (RT-qPCR) and western blotting (WB) were used to measure the expression of tissue-related proteins and mRNA. The predicted key targets are albumin (ALB), caspase-3 (CASP3), vascular endothelial growth factor A (VEGFA), angiotensin-converting enzyme (ACE), and endothelial nitric oxide synthase (eNOS). Compared with the M group (0.52 ± 0.04; 0.50 ± 0.03; 0.49 ± 0.02; 0.23 ± 0.03), CASP3, VEGFA, and ACE protein expression reduced in the T group (0.39 ± 0.06; 0.34 ± 0.03; 0.39 ± 0.03), and eNOS protein expression increased (0.34 ± 0.03). ABR + SV can improve erectile function in DMED rats. This study provides a potential mechanism for the treatment of DMED with ABR + SV and can benefit from more patients.

Pharmaceutical Biology (Abingdon, United Kingdom) published new progress about Achyranthes bidentata. 87-73-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H10O8, Computed Properties of 87-73-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Nikoorazm, Mohsen; Rezaei, Ziba; Tahmasbi, Bahman published the artcile< Two Schiff-base complexes of copper and zirconium oxide supported on mesoporous MCM-41 as an organic-inorganic hybrid catalysts in the chemo and homoselective oxidation of sulfides and synthesis of tetrazoles>, Product Details of C8H10OS, the main research area is Schiff base metal complex supported mesoporous MCM41 catalyst preparation; tetrazole green preparation; nitrile sodium azide cycloaddition Schiff base metal complex catalyst; sulfoxide green preparation chemoselective homoselective; sulfide oxidation Schiff base metal complex catalyst.

A simple and efficient procedure was reported for the synthesis of tetrazole derivatives I [R = CH2CN, Ph, 4-BrC6H4, etc.], the chemo and homoselective oxidation of sulfides to sulfoxides R1S(O)R2 [R1 = allyl, n-Bu, Ph, etc.; R2 = Me, CH2CH2OH, Bn, etc.] in the presence of two Schiff-base complexes of zirconium oxide and copper anchored on MCM-41 as mesoporous and organometallic catalysts under green conditions. All the products were obtained in excellent yields with high TOF values indicating the high activity of the synthesized catalysts. These catalysts were characterized by XRD, TGA, SEM, EDS, FT-IR, TEM, WDX, BET and AAS techniques and could be recycled for several times without significant loss in catalytic activity. The recovered catalysts were characterized by SEM, FT-IR and AAS anal. which shown an excellent agreement with fresh catalysts.

Journal of Porous Materials published new progress about [3+2] Cycloaddition reaction. 699-12-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H10OS, Product Details of C8H10OS.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Schliebe, Christian; Noll, Julian; Scharf, Sebastian; Gemming, Thomas; Seifert, Andreas; Spange, Stefan; Lehmann, Daniel; Zahn, Dietrich R. T.; Fiedler, Benjamin; Friedrich, Joachim; Blaudeck, Thomas; Lang, Heinrich published the artcile< Nitrogen-containing porous carbon materials by twin polymerization>, HPLC of Formula: 52160-51-7, the main research area is nitrogen doping porous carbon hybrid material twin polymerization copolymerization.

The preparation of Si(OCH2cC4H3NR)4 (5, R = Me; 6, R = H) by the reaction of 2-HOCH2-cC4H3NR (3, R = Me; 4, R = H) with SiCl4 in the ratio of 4:1 in the presence of NEt3 is described. The thermal behavior of twin monomers 5 and 6 was investigated by thermogravimetry and differential scanning calorimetry. Compound 6 shows with 93 °C the lowest polymerization temperature for twin monomers reported so far. In addition to the thermal-induced twin polymerization of 5 and 6, the acidic initiation and copolymerization with 2,2′-spiro-bi[4H-1,3,2-benzodioxasiline] was investigated. The resulting hybrid materials were characterized by 1H, 13C{1H}, and 29Si{1H} solid-state NMR spectroscopy confirming the transformation of the SiOCH2 moieties into CH2 groups enabling the formation of the resp. polymers. These results are supported by HAADF-STEM studies, showing the typical microstructuring of a twin polymer. Furthermore, nitrogen-containing porous carbon materials with a surface area between 200 and 800 m2 g-1 and a nitrogen content of up to 9.1% were obtained. The chem. nature of the incorporated nitrogen was investigated by XPS spectroscopy, revealing that mostly pyrrolic nitrogen is observed, but also pyridinic species are present. [Figure not available: see fulltext.].

Colloid and Polymer Science published new progress about Copolymerization. 52160-51-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H9NO, HPLC of Formula: 52160-51-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kandala, Divya T.; Del Piano, Alessia; Minati, Luca; Clamer, Massimiliano published the artcile< Targeting Translation Activity at the Ribosome Interface with UV-Active Small Molecules>, SDS of cas: 25055-82-7, the main research area is targeting translation ribosome interface UV small mol.

Puromycin is a well-known antibiotic that is used to study the mechanism of protein synthesis and to monitor ribosome activity due to its incorporation into nascent peptide chains. However, puromycin effects outside the ribosome catalytic core remain unexplored. Here, we developed two analogs (3PB and 3PC) of the 3′-end of tyrosylated-tRNA that can efficiently interact with several proteins associated with ribosomes. We biochem. characterized the binding of these analogs and globally mapped the direct small mol.-proteins interactions in living cells using clickable and photoreactive puromycin-like probes in combination with in-depth mass spectrometry. We identified a list of proteins targeted by the mols. during ribosome activity (e.g. GRP78) and we addressed possible uses of the probes to sense the activity of protein synthesis and to capture associated RNA. By coupling genome-wide RNA sequencing methods with these mols., the characterization of unexplored translational control mechanisms will be feasible.

ACS Omega published new progress about Animal gene, GRP78 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 25055-82-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8N2O, SDS of cas: 25055-82-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Gawali, Suhas Shahaji; Pandia, Biplab Keshari; Pal, Souvik; Gunanathan, Chidambaram published the artcile< Manganese(I)-Catalyzed Cross-Coupling of Ketones and Secondary Alcohols with Primary Alcohols>, Product Details of C8H9FO, the main research area is cross coupling manganese catalyzed ketone primary alc.

Catalytic cross-coupling of ketones and secondary alcs. with primary alcs. is reported. An abundant manganese based pincer catalyst catalyzes the reactions. Low loading of catalyst (2 mol %) and catalytic use of a mild base (5-10 mol %) are sufficient for efficient cross-coupling. Various aryl and heteroaryl ketones are catalytically cross-coupled with primary alcs. to provide the selective α-alkylated products. Challenging α-ethylation of ketones is also attained using ethanol as an alkylating reagent. Further, direct use of secondary alcs. in the reaction results in in situ oxidation to provide the ketone intermediates, which undergo selective α-alkylation. The reaction proceeds via the borrowing hydrogen pathway. The catalyst oxidizes the primary alcs. to aldehydes, which undergo subsequent aldol condensation with ketones, promoted by catalytic amount of Cs2CO3, to provide the α,β-unsaturated ketone intermediates. The hydrogen liberated from oxidation of alcs. is used for hydrogenation of α,β-unsaturated ketone intermediates. Notably either water or water and dihydrogen are the only byproducts in these environmentally benign catalytic processes. Mechanistic studies allowed inferring all the intermediates involved. Dearomatization-aromatization metal-ligand cooperation in the catalyst facilitates the facile O-H bond activation of both primary and secondary alcs. and the resultant manganese alkoxide complexes produce corresponding carbonyl compounds, perhaps via β-hydride elimination. The manganese(I) hydride intermediate plays dual role as it hydrogenates α,β-unsaturated ketones and liberates mol. hydrogen to regenerate the catalytically active dearomatized intermediate. Metal-ligand cooperation allows all the manganese intermediate to exist in same oxidation state (+1) and plays an important role in these catalytic cross-coupling reactions.

ACS Omega published new progress about Cross-coupling reaction. 403-41-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H9FO, Product Details of C8H9FO.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts