Tag: M.W=150-200

I found the field of Chemistry very interesting. Saw the article Influence of acetyl, hydroxy and methyl functional groups on 2-phenylbutanoic acid by quantum computational, spectroscopic and ligand-protein docking studies published in 2019. Safety of 2-Phenylbutanoic acid, Reprint Addresses Muthu, S (corresponding author), Arignar Anna Govt Arts Coll, Dept Phys, Cheyyar 604407, Tamil Nadu, India.. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

2-Phenylbutanoic acid (2PBA) and its functional derivatives 2-amino-2-Phynylbutanoic acid (2APBA), 2-hydroxy-2-Phenylbutanoic acid (2HPBA) and 2-methyl-2-phenylbutanoic acid (2MPBA) are analyzed by density functional theory (DFT) calculations at B3LYP level with basis set 6-311++G(d,p). Experimental studies like FT-IR, FT-Raman, and UV-Visible spectra are carried out and compared with the theoretical molecular geometry and vibrational frequencies. To study donor and acceptor interactions natural bond orbital (NBO) analysis were performed. The observed UV-Vis spectrum compared with the time-dependent TD-DFT analysis gives band gap energies, oscillator strength, and the absorption wavelengths of different molecules. The hyperpolarizability analysis shows that the nonlinear optical (NLO) properties of the 2PBA, 2APBA, 2HPBA and 2MPBA compounds. The visual bio-active areas of the molecule are estimated by Molecular electrostatic potential (MEP). The important thermodynamic properties like heat capacity, entropy, and enthalpy of the 2PBA, 2APBA, 2HPBA, and 2MPBA were calculated at different temperatures. Molecular docking methods were employed with 2PBA, 2APBA, 2HPBA and 2MPBA molecules with the same set of receptors (proteins) to find the best of four molecules for drug identification. (C) 2019 Elsevier B.V. All rights reserved.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

In 2019 SCI TOTAL ENVIRON published article about OXIDATIVE STRESS; OXIDE NANOPARTICLES; TRYPTOPHAN-METABOLISM; SILVER NANOPARTICLES; DIFFERENT SIZES; CYTOTOXICITY; METABOLOMICS; INFLAMMATION; EXPRESSION; NANOMATERIALS in [Dong, Li; Tang, Song; Deng, Fuchang; Zhao, Kangfeng; Fang, Jianlong; Bai, Xuetao; Zhang, Hongwei] Chinese Ctr Dis Control & Prevent, Natl Inst Environm Hlth, Beijing 100021, Peoples R China; [Tang, Song] Nanjing Med Univ, Sch Publ Hlth, Ctr Global Hlth, Nanjing 211166, Jiangsu, Peoples R China; [Deng, Fuchang] Southwest Univ, Coll Biotechnol, Chongqing 400715, Peoples R China; [Gong, Yufeng; Hecker, Markus; Giesy, John P.] Univ Saskatchewan, Toxicol Ctr, Saskatoon, SK S7N 5B3, Canada; [Zhou, Jianjun] Tongji Univ, Sch Med, East Hosp, Res Ctr Translat Med,Canc Stem Cell Inst, Shanghai 310000, Peoples R China; [Liang, Donghai] Emory Univ, Rollins Sch Publ Hlth, Dept Environm Hlth, Atlanta, GA 30322 USA; [Hecker, Markus] Univ Saskatchewan, Sch Environm & Sustainabil, Saskatoon, SK S7N 5B3, Canada; [Giesy, John P.] Univ Saskatchewan, Dept Biomed & Vet Biosci, Saskatoon, SK S7N 5B4, Canada; [Giesy, John P.] Baylor Univ, Dept Environm Sci, Waco, TX 76798 USA in 2019, Cited 64. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. COA of Formula: C10H12O2

Nanosized alumina (Al2O3-NPs), a widely used nanoparticle in numerous commercial applications, is released into environment posing a threat to the health of wildlife and humans. Recent research has revealed essential roles of physicochemical properties of nanoparticles in determining their toxicity potencies. However, influence of shape on neurotoxicity induced by heterogeneous Al2O3 -NPs remains unknown. We herein compared the neurotoxicity of two shapes of gamma-Al2O3-NPs (flake versus rod) and their effects on metabolic profiles of astrocytes in rat cerebral cortex. While exposed to both shapes caused significant cytotoxicity and apoptosis in a dose-dependent manner after 72 h exposure, a significantly stronger response was observed for nanorods than for nanoflakes. These effects were associated with significantly greater ROS accumulation and inflammation induction, as indicated by increased concentrations of IL-1 beta, IL-2 and IL-6. Using untargeted metabolomics, significant alternations in metabolism of amino adds, lipids and purines, and pyrimidines were observed after exposure to both types. Moreover, changes in the metabolome caused by nanorods were significantly greater than those by nanoflakes as also indicated by physiological stress responses to ROS, inflammation, and apoptosis. Taken together, these findings demonstrated the critical role of morphology in determining toxic potencies of nanoalumina and its underlying mechanisms of toxic actions. (C) 2019 Elsevier B.V. All rights reserved.

Welcome to talk about 90-27-7, If you have any questions, you can contact Dong, L; Tang, S; Deng, FC; Gong, YF; Zhao, KF; Zhou, JJ; Liang, DH; Fang, JL; Hecker, M; Giesy, JP; Bai, XT; Zhang, HW or send Email.. COA of Formula: C10H12O2

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

An article Boron-Catalyzed alpha-Amination of Carboxylic Acids WOS:000487577200058 published article about ELECTROPHILIC AMINATION; ASYMMETRIC-SYNTHESIS; ENANTIOSELECTIVE AMINATION; DERIVATIVES; ACETALS; ESTERS; CYANOACETATES; CONSTRUCTION; COMPLEXES; STRATEGY in [Sawamura, Masaya; Shimizu, Yohei] Hokkaido Univ, Inst Chem React Design & Discovery WPI ICReDD, Kita Ku, Kita 21 Nishi 10, Sapporo, Hokkaido 0010021, Japan; [Morisawa, Takuto; Sawamura, Masaya; Shimizu, Yohei] Hokkaido Univ, Fac Sci, Dept Chem, Kita Ku, Kita 10 Nishi 8, Sapporo, Hokkaido 0600810, Japan in 2019, Cited 45. Product Details of 90-27-7. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

A boron-catalyzed alpha-amination of simple carboxylic acids was developed. Catalytically generated boron enolates of carboxylic acids reacted with an electrophilic aminating reagent, diisopropylazodicarboxylate, to provide amino acid derivatives. The catalysis afforded not only alpha-monosubstituted glycine derivatives but also alpha,alpha-disubstituted derivatives. The resulting alpha-aminocarboxylic acid was easily converted to carboxylic acid derivatives. Extension to a catalytic asymmetric variant was possible by introducing a chiral ligand on the boron catalyst.

Welcome to talk about 90-27-7, If you have any questions, you can contact Morisawa, T; Sawamura, M; Shimizu, Y or send Email.. Product Details of 90-27-7

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Formula: C10H12O2. Alkayal, A; Tabas, V; Montanaro, S; Wright, IA; Malkov, AV; Buckley, BR in [Alkayal, Anas; Tabas, Volodymyr; Montanaro, Stephanie; Wright, Iain A.; Malkov, Andrei V.; Buckley, Benjamin R.] Loughborough Univ, Sch Sci, Dept Chem, Loughborough LE11 3TU, Leics, England published Harnessing Applied Potential: Selective beta-Hydrocarboxylation of Substituted Olefins in 2020, Cited 31. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

The construction of carboxylic acid compounds in a selective fashion from low value materials such as alkenes remains a long-standing challenge to synthetic chemists. In particular, beta-addition to styrenes is underdeveloped. Herein we report a new electrosynthetic approach to the selective hydrocarboxylation of alkenes that overcomes the limitations of current transition metal and photochemical approaches. The reported method allows unprecedented direct access to carboxylic acids derived from beta,beta-trisubstituted alkenes, in a highly regioselective manner.

Formula: C10H12O2. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Authors Li, SJ; He, QQ; Peng, Q; Fang, XM; Zhu, TH; Qiao, TM; Han, S in PERGAMON-ELSEVIER SCIENCE LTD published article about QUANTITATIVE TRAIT LOCI; PLANT METABOLOMICS; MASS SPECTROMETRY; ARTHRINIUM-PHAEOSPERMUM; SALT STRESS; RICE PLANTS; ARABIDOPSIS; METABOLISM; PURIFICATION; MECHANISMS in [Li, Shujiang; He, Qianqian; Peng, Qi; Fang, Xinmei; Zhu, Tianhui; Qiao, Tianmin; Han, Shan] Sichuan Agr Univ, Coll Forestry, 211 Huimin Rd, Chengdu 611130, Sichuan, Peoples R China in 2019, Cited 70. Recommanded Product: 90-27-7. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Bambusa pervariabilis x Dendrocalamopsis grandis blight, caused by Arthrinium phaeospermum, is one of the most common and serious diseases in bamboo and occurs in the newly born twigs. Bamboo has suffered large dead areas, including more than 3000 hm(2), which greatly threatens the process of returning farmlands to forests and the construction of ecological barriers. To identify differential metabolites and metabolic pathways associated with B. pervariabilis x D. grandis to A. phaeospermum, ultra-performance liquid chromatography (UPLC) and quadrupole-time of flight (Q-TOF) Mass Spectrometry (MS) combined with a data-dependent acquisition method was used to analyse the entire sample spectrum. In total, 13223 positive ion peaks and 10616 negative ion peaks were extracted. OPLS-DA and several other analyses were performed using the original data. The OPLS-DA models showed good quality and had strong predictive power, indicating clear trends in the analyses of the treatment and control groups. Clustering and KEGG pathway analyses were used to screen the differential metabolites in the treatment and control groups from the three B. pervariabilis X D. grandis varieties and reflected their metabolic responses induced by A. phaeospermum infection. The results showed that the three B. pervariabilis x D. grandis varieties mode showed significant changes in the following six resistance-related metabolites after A. phaeospermum invasion in positive and negative ion modes: proline, glutamine, dictamnine, apigenin 7-O-neohesperidoside, glutamate, and cis-Aconitate. The following four main metabolic pathways are involved: Arginine and proline metabolism, Glyoxylate and dicarboxylate metabolism, Biosynthesis of alkaloids derived from shikimate pathway, and Flavone and flavonol biosynthesis. This study lays a foundation for the later detection of differential metabolites and metabolic pathways for targeting, and provides a theoretical basis for disease-resistant breeding and the control of B. pervariabilis x D. grandis blight.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Category: Benzisoxazole. Authors Chen, KQ; Shen, J; Wang, ZX; Chen, XY in ROYAL SOC CHEMISTRY published article about in [Chen, Kun-Quan; Shen, Jie; Wang, Zhi-Xiang; Chen, Xiang-Yu] Univ Chinese Acad Sci, Sch Chem Sci, Beijing 100049, Peoples R China in 2021, Cited 68. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

Olefins are prevalent substrates and functionalities. The synthesis of olefins from readily available starting materials such as alcohols, amines and carboxylic acids is of great significance to address the sustainability concerns in organic synthesis. Metallaphotoredox-catalyzed defunctionalizations were reported to achieve such transformations under mild conditions. However, all these valuable strategies require a transition metal catalyst, a ligand or an expensive photocatalyst, with the challenges of controlling the region- and stereoselectivities remaining. Herein, we present a fundamentally distinct strategy enabled by electron donor-acceptor (EDA) complexes, for the selective synthesis of olefins from these simple and easily available starting materials. The conversions took place via photoactivation of the EDA complexes of the activated substrates with alkali salts, followed by hydrogen atom elimination from in situ generated alkyl radicals. This method is operationally simple and straightforward and free of photocatalysts and transition-metals, and shows high regio- and stereoselectivities.

Welcome to talk about 90-27-7, If you have any questions, you can contact Chen, KQ; Shen, J; Wang, ZX; Chen, XY or send Email.. Category: Benzisoxazole

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Authors Gao, LZ; Wang, GQ; Cao, J; Chen, H; Gu, YM; Liu, XT; Cheng, X; Ma, J; Li, SH in AMER CHEMICAL SOC published article about C-H FUNCTIONALIZATION; DIRECT ALKYLATION; RADICAL PRECURSORS; CARBOXYLIC-ACIDS; DIRECT ARYLATION; AMINO-ACIDS; HETEROARENES; BOND; ALCOHOLS; ALKENES in [Gao, Liuzhou; Wang, Guoqiang; Cao, Jia; Chen, Hui; Gu, Yuming; Liu, Xueting; Cheng, Xu; Ma, Jing; Li, Shuhua] Nanjing Univ, Sch Chem & Chem Engn, Inst Theoret & Computat Chem, Minist Educ,Key Lab Mesoscop Chem, Nanjing 210093, Jiangsu, Peoples R China; [Cheng, Xu] Nanjing Univ, Sch Chem & Chem Engn, Inst Chem & Biomed Sci, Nanjing 210093, Jiangsu, Peoples R China in 2019, Cited 123. HPLC of Formula: C10H12O2. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

A practical and efficient Lewis acid-catalyzed radical-radical coupling reaction of N-hydroxyphthalimide esters and 4-cyanopyridines with inexpensive bis(pinacolato)-diboron as reductant has been developed. With ZnCl2 as the catalyst, a wide range of quaternary 4-substituted pyridines, including highly congested diarylmethyl and triarylmethyl substituents, could be selectively obtained in moderate to good yields with broad functional group tolerance. Combined theoretical calculations and experimental studies indicate that the Lewis acid could coordinate with the cyano group of the pyridine-boryl radical to lower the activation barrier of the C-C coupling pathway, leading to the formation of 4-substituted pyridines. Moreover, it could also facilitate the decyanation/aromatization of the radical-radical coupling intermediate.

HPLC of Formula: C10H12O2. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Xu, J; Cen, YX; Singh, W; Fan, JJ; Wu, L; Lin, XF; Zhou, JH; Huang, ML; Reetz, MT; Wu, Q in [Xu, Jian; Cen, Yixin; Fan, Jiajie; Lin, Xianfu; Wu, Qi] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China; [Singh, Warispreet; Huang, Meilan] Queens Univ, Sch Chem & Chem Engn, David Keir Bldg,Stranmillis Rd, Belfast BT9 5AG, Antrim, North Ireland; [Cen, Yixin; Wu, Lian; Zhou, Jiahai] Chinese Acad Sci, Shanghai Inst Organ Chem, State Key Lab Bioorgan & Nat Prod Chem, Shanghai 200032, Peoples R China; [Reetz, Manfred T.] Max Planck Inst Kohlenforsch, Kaiser Wilhelm Pl 1, D-45470 Mulheim, Germany; [Reetz, Manfred T.] Philipps Univ, Dept Chem, Hans Meerwein Str 4, D-35032 Marburg, Germany published Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters in 2019, Cited 88. Category: Benzisoxazole. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

Enzymatic stereodivergent synthesis to access all possible product stereoisomers bearing multiple stereocenters is relatively undeveloped, although enzymes are being increasingly used in both academic and industrial areas. When two stereocenters and thus four stereoisomeric products are involved, obtaining stereodivergent enzyme mutants for individually accessing all four stereoisomers would be ideal. Although significant success has been achieved in directed evolution of enzymes in general, stereodivergent engineering of one enzyme into four highly stereocomplementary variants for obtaining the full complement of stereoisomers bearing multiple stereocenters remains a challenge. Using Candida antarctica lipase B (CALB) as a model, we report the protein engineering of this enzyme into four highly stereocomplementary variants needed for obtaining four stereoisomers in transesterification reactions between racemic acids and racemic alcohols in organic solvents. By generating and screening less than 25 variants of each isomer, we achieved >90% selectivity for all of the four possible stereoisomers in the model reaction. This difficult feat was accomplished by developing a strategy dubbed focused rational iterative site-specific mutagenesis (FRISM) at sites lining the enzyme’s binding pocket. The accumulation of single mutations by iterative site-specific mutagenesis using a restricted set of rationally chosen amino acids allows the formation of ultrasmall mutant libraries requiring minimal screening for stereoselectivity. The crystal structure of all stereodivergent CALB variants, flanked by MD simulations, uncovered the source of selectivity.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Recently I am researching about MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; RHODIUM-CATALYZED HYDROCARBOXYLATION; AB-INITIO PSEUDOPOTENTIALS; CARBON-DIOXIDE; BASIS-SETS; CO2 INSERTION; DIRECT CARBOXYLATION; ALKYNES; BORACARBOXYLATION, Saw an article supported by the Research Council of Norway (Centre of Excellence)Research Council of Norway [262695]; Tromso Research Foundation [TFS2016KHH]; NordForsk [85378]; Notur-The Norwegian Metacenter for Computational Science [nn9330k, nn4654k]. SDS of cas: 90-27-7. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Garcia-Lopez, D; Pavlovic, L; Hopmann, KH. The CAS is 90-27-7. Through research, I have a further understanding and discovery of 2-Phenylbutanoic acid

In transition metal-mediated carboxylation reactions, CO2 inserts into a metal-nucleophile bond. At the carboxylation transition state (TS), CO2 may interact with the metal (inner-sphere path) or may insert without being activated by the metal (outersphere path). Currently, there is no consensus as to which path prevails. In order to establish general predictions for the insertion of CO2 into metal-carbon bonds, we computationally analyze a series of experimentally reported Cu, Rh, and Pd complexes. Our focus is on carboxylation of aromatic substrates, including C(sp)(3 )benzyl and C-sp(2) aryl and alkenyl nucleophiles. We observe clear trends, where the nature of the nucleophile determines the preferred path: benzylic C-sp(3), nucleophiles favor outer-sphere and C-sp, systems favor inner-sphere CO2 insertion into the metal-carbon bond. An exception are Cu-benzyl bonds, where inner- and outer-sphere CO2 insertions are found to be competitive, highlighting the need to include both paths in mechanistic studies and in the rationalization of experimental results. For insertion into Pd-C-sp2 bonds, we find that the metal-CO2 interactions at the TS are weak and may be beyond 3 angstrom for sterically congested ligands. Nonetheless, on the basis of a comparison to other TSs, we argue that the CO2 insertion into Pd-C(sp2 )bonds should be classified as inner-sphere.

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Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

Authors Yang, XY; Ma, YR; Di, HM; Wang, XC; Jin, H; Ryu, DH; Zhang, LX in WILEY-V C H VERLAG GMBH published article about CARBON BOND FORMATION; CLAISEN CONDENSATION; PRACTICAL SYNTHESIS; SOFT ENOLIZATION; MICHAEL ADDITION; ACID; BIOSYNTHESIS; DISCOVERY; KETONES; TRIFLUMEZOPYRIM in [Yang, Xinyue; Ma, Yanrong; Di, Huiming; Wang, Xiaochen; Jin, Hui; Zhang, Lixin] Shenyang Univ Chem Technol, Inst Funct Mol, Shenyang 110142, Peoples R China; [Yang, Xinyue; Ma, Yanrong; Di, Huiming; Wang, Xiaochen; Jin, Hui; Zhang, Lixin] Natl Local Joint Engn Lab Dev Boron & Magnesium R, Shenyang 110142, Peoples R China; [Yang, Xinyue; Ma, Yanrong; Di, Huiming; Wang, Xiaochen; Jin, Hui; Zhang, Lixin] Liaoning Prov Key Lab Green Funct Mol Design & De, Shenyang 110142, Peoples R China; [Ryu, Do Hyun] Sungkyunkwan Univ, Dept Chem, Suwon 440746, South Korea in 2021, Cited 53. Safety of 2-Phenylbutanoic acid. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

An efficient method for targeting a variety of symmetrical and asymmetrical alpha-substituted dithiomalonates (DTMs) is described, utilizing 1H-imidazole-1-carbothioates as reactive acylating agents and MgBr2 center dot OEt2/DBU or LiHMDS for soft or hard enolization conditions of thioesters, respectively. The utility of this methodology was demonstrated through the synthesis of the pyridopyrimidine mesoionic insecticides: triflumezopyrim and dicloromezotiaz.

Safety of 2-Phenylbutanoic acid. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics