Day: October 18, 2021

Safety of Benzophenone. Authors Tiessen, N; Kessler, M; Neumann, B; Stammler, HG; Hoge, B in WILEY-V C H VERLAG GMBH published article about in [Tiessen, Natalia; Kessler, Mira; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold] Univ Bielefeld, Fak Chem, Ctr Mol Mat, Univ Str 25, D-33615 Bielefeld, Germany in 2021.0, Cited 73.0. The Name is Benzophenone. Through research, I have a further understanding and discovery of 119-61-9

According to a first view on the geometrical and electronic structure of the tris(pentafluoroethyl)silanide, this anion appears as a Lewis base. Quantum chemical calculations on perfluoroalkylated silanides show significantly lower HOMO and LUMO energy levels in comparison to their non-fluorinated counterparts, which implies reduced Lewis basicity and increased Lewis acidity of the [Si(C2F5)(3)](-) ion. With these findings and a HOMO-LUMO gap of 4.80 eV similar to N-heterocyclic silylenes (NHSis), perfluoroalkyl silanides are predestined to exhibit Lewis-amphoteric character similar to silylenes. Deprotonation of Si(C2F5)(3)H with sterically demanding phosphazene bases afforded thermally stable phosphazenium salts of the [Si(C2F5)(3)](-) anion, which add to benzaldehyde, benzophenone, CS2, and CO2 in various manners. This behavior also mirrors the reactivity of silylenes towards ketones as well as heterocumulenes and is rationalized by Lewis amphotericity being inherent in these silanides.

Safety of Benzophenone. About Benzophenone, If you have any questions, you can contact Tiessen, N; Kessler, M; Neumann, B; Stammler, HG; Hoge, B or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Authors Abouelela, ME; Assaf, HK; Abdelhamid, RA; Elkhyat, ES; Sayed, AM; Oszako, T; Belbahri, L; El Zowalaty, AE; Abdelkader, MSA in MDPI published article about VAR NATALENSIS BERGER; CHEMICAL-CONSTITUENTS; SAPONARIA-HAW; TETRAHYDROANTHRACENE DERIVATIVES; STRUCTURE ELUCIDATION; C-GLUCOSYLANTHRONES; CHROMONE COMPONENTS; MOLECULAR-DYNAMICS; ANTIVIRAL ACTIVITY; CALLUS-TISSUE in [Abouelela, Mohamed E.; Assaf, Hamdy K.; Abdelhamid, Reda A.; Elkhyat, Ehab S.] Al Azhar Univ, Fac Pharm, Dept Pharmacognosy, Assiut Branch, Assiut 71524, Egypt; [Sayed, Ahmed M.] Nanda Univ, Fac Pharm, Dept Pharmacognosy, Bani Suwayf 62513, Egypt; [Oszako, Tomasz] Forest Res Inst, Dept Forest Protect, PL-05090 Sekocin Stary, Poland; [Belbahri, Lassaad] Univ Neuchatel, Lab Soil Biol, CH-2000 Neuchatel, Switzerland; [El Zowalaty, Ahmed E.] Univ Gothenburg, Sahlgrenska Ctr Canc Res, Inst Clin Sci, Dept Surg, S-40530 Gothenburg, Sweden; [El Zowalaty, Ahmed E.] Univ Gothenburg, Wallenberg Ctr Mol & Translat Med, S-40530 Gothenburg, Sweden; [Abdelkader, Mohamed Salaheldin A.] Sohag Univ, Fac Pharm, Dept Pharmacognosy, Nasr City 82524, Sohag, Egypt in 2021, Cited 182. SDS of cas: 90-44-8. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8

Severe acute respiratory syndrome coronavirus (SARS-CoV-2) disease is a global rapidly spreading virus showing very high rates of complications and mortality. Till now, there is no effective specific treatment for the disease. Aloe is a rich source of isolated phytoconstituents that have an enormous range of biological activities. Since there are no available experimental techniques to examine these compounds for antiviral activity against SARS-CoV-2, we employed an in silico approach involving molecular docking, dynamics simulation, and binding free energy calculation using SARS-CoV-2 essential proteins as main protease and spike protein to identify lead compounds from Aloe that may help in novel drug discovery. Results retrieved from docking and molecular dynamics simulation suggested a number of promising inhibitors from Aloe. Root mean square deviation (RMSD) and root mean square fluctuation (RMSF) calculations indicated that compounds 132, 134, and 159 were the best scoring compounds against main protease, while compounds 115, 120, and 131 were the best scoring ones against spike glycoprotein. Compounds 120 and 131 were able to achieve significant stability and binding free energies during molecular dynamics simulation. In addition, the highest scoring compounds were investigated for their pharmacokinetic properties and drug-likeness. The Aloe compounds are promising active phytoconstituents for drug development for SARS-CoV-2.

About Anthrone, If you have any questions, you can contact Abouelela, ME; Assaf, HK; Abdelhamid, RA; Elkhyat, ES; Sayed, AM; Oszako, T; Belbahri, L; El Zowalaty, AE; Abdelkader, MSA or concate me.. SDS of cas: 90-44-8

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

An article Oxidative Cleavage of Alkenes by O-2 with a Non-Heme Manganese Catalyst WOS:000672592000032 published article about O BOND ACTIVATION; MOLECULAR-OXYGEN; SELECTIVE OXIDATION; SINGLET OXYGEN; C=C BONDS; COMPLEX; DIOXYGEN; OLEFINS; REACTIVITY; IRON in [Huang, Zhiliang; Guan, Renpeng; Bennett, Elliot L.; Robertson, Craig M.; Xiao, Jianliang] Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England; [Shanmugam, Muralidharan; Brookfield, Adam; McInnes, Eric J. L.] Univ Manchester, Dept Chem, Manchester M13 9PL, Lancs, England; [Shanmugam, Muralidharan; Brookfield, Adam; McInnes, Eric J. L.] Univ Manchester, Photon Sci Inst, Manchester M13 9PL, Lancs, England in 2021.0, Cited 58.0. COA of Formula: C13H10O. The Name is Benzophenone. Through research, I have a further understanding and discovery of 119-61-9

The oxidative cleavage of C = C double bonds with molecular oxygen to produce carbonyl compounds is an important transformation in chemical and pharmaceutical synthesis. In nature, enzymes containing the first-row transition metals, particularly heme and non-heme iron-dependent enzymes, readily activate O-2 and oxidatively cleave C = C bonds with exquisite precision under ambient conditions. The reaction remains challenging for synthetic chemists, however. There are only a small number of known synthetic metal catalysts that allow for the oxidative cleavage of alkenes at an atmospheric pressure of O-2, with very few known to catalyze the cleavage of nonactivated alkenes. In this work, we describe a light-driven, Mn-catalyzed protocol for the selective oxidation of alkenes to carbonyls under 1 atm of O-2. For the first time, aromatic as well as various nonactivated aliphatic alkenes could be oxidized to afford ketones and aldehydes under clean, mild conditions with a first row, biorelevant metal catalyst. Moreover, the protocol shows a very good functional group tolerance. Mechanistic investigation suggests that Mn-oxo species, including an asymmetric, mixed-valent bis(mu-oxo)-Mn(III,IV) complex, are involved in the oxidation, and the solvent methanol participates in O-2 activation that leads to the formation of the oxo species.

About Benzophenone, If you have any questions, you can contact Huang, ZL; Guan, RP; Shanmugam, M; Bennett, EL; Robertson, CM; Brookfield, A; McInnes, EJL; Xiao, JL or concate me.. COA of Formula: C13H10O

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

In 2021 INORG CHIM ACTA published article about ZETA VALENCE QUALITY; GAUSSIAN-BASIS SETS; COPPER(II) COMPLEXES; CATALYTIC MECHANISM; BETA-MONOOXYGENASE; OLEFIN EPOXIDATION; COMPOUND I; ATOMS LI; OXO; MONONUCLEAR in [Khazanov, Thomas M.; Botcha, Niharika Krishna; Mukherjee, Anusree] Univ Alabama, Dept Chem, 301 Sparkman Dr, Huntsville, AL 35899 USA; [Yergeshbayeva, Sandugash; Shatruk, Michael] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA in 2021, Cited 88. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8. Formula: C14H10O

This work presents a detailed study of the reactivity of three mononuclear Cu-II complexes supported by derivatives of the tetradentate ligand N,N’-bis(2-pyridylmethyl)-1,2-ethylenediamine (bispicen). The Cu-II complexes are capable of performing C – H bond activation in the presence of NEt3 and H2O2 through what has been proposed computationally to be a [CuO](+) intermediate. A wavefunction-based quantum chemical investigation into the electronic structure of the proposed [CuO](+) intermediate reveals a triplet ground state predominantly consistent with an S = 1/2 Cu-II center ferromagnetically coupled to an oxyl radical, though contributions from the corresponding biradicaloid CM-oxen resonance structure may be nontrivial. Furthermore, correlation of the electronic structure of the proposed intermediate with analogous high-valent metal-oxo species capable of olefin epoxidation suggests that the Cu-II complexes might be also capable of olefin epoxidation in the presence of NEt3 and H2O2. To test this hypothesis experimentally, the Cu-II complexes are treated with NEt 3 and H2O2 in the presence of alkene substrates, resulting in the formation of epoxides.

About Anthrone, If you have any questions, you can contact Khazanov, TM; Botcha, NK; Yergeshbayeva, S; Shatruk, M; Mukherjee, A or concate me.. Formula: C14H10O

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

An article Nontarget Screening of Polycyclic Aromatic Compounds in Atmospheric Particulate Matter Using Ultrahigh Resolution Mass Spectrometry and Comprehensive Two-Dimensional Gas Chromatography WOS:000606821200012 published article about FT-ICR MS; HYDROCARBONS PAHS; MOLECULAR CHARACTERIZATION; AIRBORNE PARTICLES; OXYGENATED-PAHS; IDENTIFICATION; EMISSIONS; PM2.5; QUANTIFICATION; CONTAMINANTS in [Xu, Chi; Gao, Lirong; Zheng, Minghui; Qiao, Lin; Wang, Kunran; Huang, Di; Wang, Shuang] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Lab Environm Chem & Ecotoxicol, Beijing 100085, Peoples R China; [Xu, Chi; Gao, Lirong; Zheng, Minghui; Qiao, Lin; Wang, Kunran; Huang, Di; Wang, Shuang] Univ Chinese Acad Sci, Beijing 100049, Peoples R China in 2021, Cited 45. Application In Synthesis of Anthrone. The Name is Anthrone. Through research, I have a further understanding and discovery of 90-44-8

Polycyclic aromatic hydrocarbons (PAHs) are mutagenic and carcinogenic. 16 PAHs as priority pollutants listed by the US Environmental Protection Agency were usually monitored. Therefore, multiple potentially toxic polycyclic aromatic compounds (PACs) are not monitored. In this study, atmospheric particulate matter samples from Beijing were analyzed using atmospheric pressure photoionization (APPI) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry and comprehensive two-dimensional gas chromatography-time-of-flight (GC x GC-TOF) mass spectrometry. The FT-ICR data detected high molecular weight PAHs, alkylated PAHs (APAHs) and heteroatom PAHs. The GC x GC-TOF data tentatively identified 386 PACs in five categories of identification confidence. Twenty-one spectra in the unknown class were manually resolved. Eighty-two PACs with high identification confidence were proposed for further research. The identities of five PAHs and five APAHs that are currently not regulated were confirmed using available standards and quantified in some samples. Some of these PACs, such as dibenzo[a,e]pyrene (C22H14) and 1-methylpyrene (C17H12), should be of concern because of their contamination levels and the high toxicities of themselves and/or their derivatives. This study highlights the possibility of expanding the traditional lists of PAHs to improve pollution control and risk assessment accuracy.

About Anthrone, If you have any questions, you can contact Xu, C; Gao, LR; Zheng, MH; Qiao, L; Wang, KR; Huang, D; Wang, S or concate me.. Application In Synthesis of Anthrone

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Zhan, SC; Fang, RJ; Sun, J; Yan, CG in [Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo] Yangzhou Univ, Coll Chem & Chem Engn, Yangzhou 225002, Jiangsu, Peoples R China published Diastereoselective synthesis of spiro[carbazole-3,5 ‘-pyrimidines] and spiro[carbazole-3,1 ‘-cyclohexanes] via four-component reaction in 2021.0, Cited 55.0. Name: 3-Nitrobenzaldehyde. The Name is 3-Nitrobenzaldehyde. Through research, I have a further understanding and discovery of 99-61-6.

Functionalized spiro[carbazole-3,5 ‘-pyrimidines] and spiro[carbazole-3,1 ‘-cyclohexanes] were efficiently synthesized in satisfactory yields with high diastereoselectivity by CuSO4 catalyzed multicomponent reaction of indole-2-acetate, aromatic aldehyde and 1,3-dimethylbarbituric acid or dimedone. The reaction was finished with sequential Diels-Alder reaction of both in situ generated indole-2,3-quinodimethane and a dienophile. Additionally, the initially formed spiro[carbazole-3,5 ‘-pyrimidines] were converted to dehydrogenated spiro[carbazole-3,5 ‘-pyrimidines] by DDQ oxidation. The initially formed spiro[carbazole-3,1 ‘-cyclohexanes] were converted to delta-valerolactone-substituted carbazoles by a DDQ promoted Baeyer-Villiger oxidation process.

Name: 3-Nitrobenzaldehyde. About 3-Nitrobenzaldehyde, If you have any questions, you can contact Zhan, SC; Fang, RJ; Sun, J; Yan, CG or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Computed Properties of C7H5NO3. Authors Al-Adhami, HJ; Al-Majidi, SMH in MAIK NAUKA/INTERPERIODICA/SPRINGER published article about in [Al-Adhami, H. J.; Al-Majidi, S. M. H.] Univ Baghdad, Coll Sci, Dept Chem, Baghdad 10071, Iraq in 2021.0, Cited 26.0. The Name is 3-Nitrobenzaldehyde. Through research, I have a further understanding and discovery of 99-61-6

The condensation of 6-amino-1,3-dimethyluracil with substituted benzaldehydes gave six Schiff base derivatives which were brought into cyclizations with sodium azide, anthranilic acid, and 2-sulfanylbenzoic acid to afford new dihydrotetrazoles, dihydroquinazolin-4-ones, and 1,3-benzothiazine-4-ones containing a 1,3-di-methyluracil fragment. The structure of the newly synthesized compounds was confirmed by FTIR and NMR spectroscopy, and their in vitro antioxidant and antimicrobial activities against some bacterial and fungal strains were evaluated.

Computed Properties of C7H5NO3. About 3-Nitrobenzaldehyde, If you have any questions, you can contact Al-Adhami, HJ; Al-Majidi, SMH or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

An article Synergistic catalysis on Fe-N-x sites and Fe nanoparticles for efficient synthesis of quinolines and quinazolinones via oxidative coupling of amines and aldehydes WOS:000497283300004 published article about SELECTIVE AEROBIC OXIDATION; OXYGEN REDUCTION; COBALT NANOPARTICLES; NITROGEN-HETEROCYCLES; NONPRECIOUS METAL; CASCADE SYNTHESIS; GENERAL-SYNTHESIS; CARBON NANOTUBES; ACTIVE-SITES; C CATALYST in [Ma, Zhiming; Song, Tao; Yang, Yong] Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Qingdao 266101, Shandong, Peoples R China; [Ma, Zhiming] Univ Chinese Acad Sci, Beijing 100049, Peoples R China; [Yuan, Youzhu] Xiamen Univ, State Key Lab Phys Chem Solid Surface, Natl Engn Lab Green Chem Prod Alcohols Ethers Est, Coll Chem & Chem Engn, Xiamen 361005, Fujian, Peoples R China in 2019, Cited 68. The Name is 2-Aminobenzamide. Through research, I have a further understanding and discovery of 88-68-6. Quality Control of 2-Aminobenzamide

In this paper, we developed a reusable heterogeneous non-precious iron nanocomposite comprising metallic Fe-Fe3C nanoparticles and Fe-N-x sites on N-doped porous carbon, which allows for highly efficient synthesis of quinolines and quinazolinones via oxidative coupling of amines and aldehydes using H2O2 as the oxidant in aqueous solution under mild conditions. A set of quinazolines and quinazolinones were synthesized in high yields with a broad substrate scope and good tolerance of functional groups. Characterization and control experiments disclose that a synergistic effect between the metallic Fe nanoparticles and built-in Fe-N-x sites is primarily responsible for the outstanding catalytic performance. Furthermore, the iron nanocomposite could be readily recovered for successive use without appreciable loss in catalytic activity and selectivity. This work provides an expedient and sustainable method to access pharmaceutically relevant N-heterocycles.

About 2-Aminobenzamide, If you have any questions, you can contact Ma, ZM; Song, T; Yuan, YZ; Yang, Y or concate me.. Quality Control of 2-Aminobenzamide

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

I found the field of Biochemistry & Molecular Biology; Chemistry; Pharmacology & Pharmacy very interesting. Saw the article Dihydroquinoline derivative as a potential anticancer agent: synthesis, crystal structure, and molecular modeling studies published in 2021.0. Name: 3-Nitrobenzaldehyde, Reprint Addresses Vaz, WF (corresponding author), Univ Estadual Goias, BR-75132400 Anapolis, Go, Brazil.; Vaz, WF (corresponding author), Inst Fed Educ Ciencia & Tecnol Mato Grosso, BR-78455000 Lucas Do Rio Verde, MT, Brazil.. The CAS is 99-61-6. Through research, I have a further understanding and discovery of 3-Nitrobenzaldehyde

Cancer is one of the leading causes of death worldwide and requires intense and growing research investments from the public and private sectors. This is expected to lead to the development of new medicines. A determining factor in this process is the structural understanding of molecules with potential anticancer properties. Since the major compounds used in cancer therapies fail to encompass every spectrum of this disease, there is a clear need to research new molecules for this purpose. As it follows, we have studied the class of quinolinones that seem effective for such therapy. This paper describes the structural elucidation of a novel dihydroquinoline by single-crystal X-ray diffraction and spectroscopy characterization. Topology studies were carried through Hirshfeld surfaces analysis and molecular electrostatic potential map; electronic stability was evaluated from the calculated energy of frontier molecular orbitals. Additionally, in silico studies by molecular docking indicated that this dihydroquinoline could act as an anticancer agent due to their higher binding affinity with human aldehyde dehydrogenase 1A1 (ALDH 1A1). Tests in vitro were performed for VERO (normal human skin keratinocytes), B16F10 (mouse melanoma), and MDA-MB-231 (metastatic breast adenocarcinoma), and the results certified that compound as a potential anticancer agent. [GRAPHICS] .

Name: 3-Nitrobenzaldehyde. About 3-Nitrobenzaldehyde, If you have any questions, you can contact Vaz, WF; Custodio, JMF; D’Oliveira, GDC; Neves, BJ; Junior, PSC; Filho, JTM; Andrade, CH; Perez, CN; Silveira-Lacerda, EP; Napolitano, HB or concate me.

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Recommanded Product: 1-Phenylurea. Authors Dan, YT; Ji, MY; Tao, SP; Luo, G; Shen, Z; Zhang, YL; Sang, WJ in ELSEVIER published article about in [Dan, Yitong; Ji, Mengyuan; Sang, Wenjing] Donghua Univ, Coll Environm Sci & Engn, Text Pollut Controlling Engn Ctr, Minist Environm Protect, Shanghai 201620, Peoples R China; [Tao, Shuping; Shen, Zheng; Zhang, Yalei] Tongji Univ, Natl Engn Res Ctr Protected Agr, Inst New Rural Dev, Shanghai 200092, Peoples R China; [Luo, Gang] Fudan Univ, Dept Environm Sci & Engn, Shanghai Key Lab Atmospher Particle Pollut & Prev, Shanghai 200433, Peoples R China in 2021.0, Cited 76.0. The Name is 1-Phenylurea. Through research, I have a further understanding and discovery of 64-10-8

The application of phenylurea herbicides (PUHs) may lead to the extensive distribution in soils, while the role of straw biochar as a soil amendment on the transport and sorption of PUHs are still unclear. Thus, the transport and sorption behavior of three typical PUHs with rice straw biochar (RSB) was studied in both adsorption simulation experiments of aqueous solution and packed column experiments:the sorption mechanism of RSB to herbicides was investigated through batch sorption studies with three influencing factors including dosage of RSB, pH, and ionic strength (IS) with orthogonal test. The sorption coeff icients were improved significantly by increasing the dosage of RSB, while there was no obvious influence by enhancing the pH and IS value. The optimal sorption conditions (pH value at 3, IS at 0.1 M, and RSB dosage at 60 mg) of three herbicides were set and the maximum removal rates of Monuron, Diuron, and Linuron were 41.9%, 25%, and 56.8%, respectively. The co-transport process of RSB and PUHs were investigated under different RSB dosage, pH value, and IS value. The retention effect increased greatly with enhancing the RSB dosage and pH value. However, IS did not have a significant influence on the retention of RSB, and therefore it had little effect on the adsorption capacity, which was consistent with the results of sorption experiments. The breakthrough curves (BTCs) for co-transport were well simulated by the two-site non-equilibrium convection-dispersion equation (CDE). Most of the regression coefficients (R-2) were above 0.99, which uncovered the co-transport in packed column were affected by physical absorption and chemical forces. According to the fitting parameters analysis, the RSB particles and PUHs were subjected to a greater resistance and a stronger stability by reducing pH value in porous media. The presence of RSB increased the amount of dynamic sorption sites in the entire co-transport system, which led to a significant promotion of the PUHs’ sorption and interception. (C) 2021 Elsevier B.V. All rights reserved.

About 1-Phenylurea, If you have any questions, you can contact Dan, YT; Ji, MY; Tao, SP; Luo, G; Shen, Z; Zhang, YL; Sang, WJ or concate me.. Recommanded Product: 1-Phenylurea

Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem