Month: December 2022

Keane, P. E. published the artcileThe effects of analogs of valproic acid on seizures induced by pentylenetetrazol and GABA content in brain of mice, Computed Properties of 3115-28-4, the publication is Neuropharmacology (1983), 22(7), 875-9, database is CAplus and MEDLINE.

The effect of valproic?acid??[99-66-1] and 10 analogs (7 branched and 3 nonbranched) was studied on the content of ¦Ã-aminobutyric?acid (GABA) [56-12-2] in the brain of mice and on seizures induced by pentylenetetrazol. All 8 branched fatty acids protected against seizures, but the 3 nonbranched acids were inactive. A correlation was observed between side-chain length and anticonvulsant potency. However, sedative and toxic phenomena became apparent with longer chain lengths. The 3 nonbranched fatty acids did not alter levels of GABA in brain, but there was a correlation between anticonvulsant activity and increased brain GABA levels for the 8 branched fatty acids. Despite this correlation, one branched analog, 2-ethylbutyric?acid??[88-09-5], possessed anticonvulsant activity but did not increase the content of GABA in brain.

Neuropharmacology published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C10H20O2, Computed Properties of 3115-28-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Fiuza, S. M. published the artcileOn the correction of calculated vibrational frequencies for the effects of the counterions – ¦Á,¦Ø-diamine dihydrochlorides, Recommanded Product: Propane-1,3-diamine dihydrochloride, the publication is Journal of Molecular Modeling (2015), 21(10), 1-13, database is CAplus and MEDLINE.

The present work provides sets of correction factors to adjust the calculated vibrational frequencies of a series of ¦Á,¦Ø-diamines hydrochloride salts to account for the intermol. interactions with the counterion. The study was performed using different theory levels for predicting the vibrational data of isolated dicationic ¦Á,¦Ø-diamines and their hydrochloride forms, with and without the explicit account of the interactions with the chloride counterions. Different sets of correction factors were determined for each theory level considering the four smallest elements for the ¦Á,¦Ø-diamines series, while their transferability and reliability was evaluated considering the larger elements of the series. The theory level simplification was also evaluated and was found to neither compromise the vibrational frequencies estimates nor the magnitude and accuracy of the pre-defined scaling factors. This suggests that transferability of the correction factors is possible not only for different diamines but also between different levels of theory with the averaged group correction factor, ¦Æ^a_g, being the best choice to account for the effects of the N-H¡¤¡¤¡¤Cl interactions. The possibility of simplifying the theory level without compromising efficiency and accuracy is addnl. of utmost importance. This computational approach can constitute a valuable tool in the future for studying the hydrochloride forms of larger and more complex diamine systems.

Journal of Molecular Modeling published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C3H12Cl2N2, Recommanded Product: Propane-1,3-diamine dihydrochloride.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Augulis, Vaclovas published the artcileSupravital staining and fixation of brain and spinal cord by intravascular perfusion, Related Products of catalysis-chemistry, the publication is Stain Technology (1971), 46(4), 183-90, database is CAplus and MEDLINE.

Forty single and 13 combinations of dyes were tested for concomitant supravital staining and fixation of brain and spinal cord of rats, cats, and squirrel monkeys by intravascular perfusion in 3 steps: (1) 60 or 80 ml of physiol. saline containing 40 mg/100 ml of NaNO2 as a vasodilator; (2) 250 or 550 ml of stain-fixative solution consisting of either: A-2 parts of dye solution in a concentration from 0.001% to 0.05% dissolved in saline containing 40 mg/100 ml of NaNO2 and 1 part undiluted formalin; or B-2 parts of dye solution in a concentration from 0.001% to 0.05% dissolved in distilled water acidified with 1.5 ml of glacial HOAc/100 ml of water, and 1 part undiluted formalin; and (3) 100 or 150 ml of 6% dextrose in distilled water. Complete staining and fixation was accomplished in 53 min for rats and 41 min for cats and monkeys. Brains and spinal cord were frozen, sectioned, and the cut surfaces of the frozen tissue were photographed similar to the procedure described by Gasteiger, et al. (1969).

Stain Technology published new progress about 10510-54-0. 10510-54-0 belongs to catalysis-chemistry, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Inhibitor,Inhibitor, name is 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate, and the molecular formula is C18H15N3O3, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Cal, Pedro M. S. D. published the artcileSite-selective installation of BASHY fluorescent dyes to Annexin V for targeted detection of apoptotic cells, Application In Synthesis of 1395786-30-7, the publication is Chemical Communications (Cambridge, United Kingdom) (2017), 53(2), 368-371, database is CAplus and MEDLINE.

Fluorophores are indispensable for imaging biol. processes. The authors report the design and synthesis of azide-tagged boronic acid salicylidenehydrazone (BASHY) dyes and their use for site-selective labeling of Annexin V. The Annexin V-BASHY conjugate maintained function and fluorescence as demonstrated by the targeted detection of apoptotic cells.

Chemical Communications (Cambridge, United Kingdom) published new progress about 1395786-30-7. 1395786-30-7 belongs to catalysis-chemistry, auxiliary class Inhibitor, name is Dbco-maleimide, and the molecular formula is C25H21N3O4, Application In Synthesis of 1395786-30-7.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Kim, Jaeseung published the artcileSilanediol peptidomimetics. Evaluation of four diastereomeric ACE inhibitors, Formula: C12H10F2Si, the publication is Bioorganic & Medicinal Chemistry Letters (2004), 14(11), 2853-2856, database is CAplus and MEDLINE.

Four diastereomers, e.g., I [X = Si(OH)₂], of a Phe-Ala peptide mimic incorporating a central silanediol group have been individually prepared and tested as inhibitors of angiotensin-converting enzyme (ACE). Three of the silanediols exhibit levels of inhibition that are similar to those of corresponding ketones reported by Almquist. For the fourth diastereomer, with both stereogenic carbons inverted relative to the most active isomer I, the ketone gives the least enzyme inhibition whereas the silanediol shows a surprisingly low IC₅₀ value.

Bioorganic & Medicinal Chemistry Letters published new progress about 312-40-3. 312-40-3 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is Difluorodiphenylsilane, and the molecular formula is C12H10F2Si, Formula: C12H10F2Si.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Viswanathan, N. published the artcileBase-catalyzed reaction of p- and o-nitroanilines with isocyanates and isothiocyanates, Related Products of catalysis-chemistry, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (1981), 20B(7), 611-13, database is CAplus.

The reaction of 4-O₂NC₆H₄NH₂ (I) with RC₆H₄NCO (II; R = H, 4-Me, 4-Cl, 3-Cl) in the presence of K₂CO₃ gave 4-O₂NC₆H₄NHC₆H₄R (III). The reaction of I with PrNCO gave (4-O₂NC₆H₄)₂NH. 2-O₂NC₆H₄NH₂ reacted with II (R = H, 4-Me) to give the corresponding 2-O₂NC₆H₄NHC₆H₄R. PhNCS was treated with I to give 4-O₂NC₆H₄N:C(NHPh)₂, III (R = H), and PhNHCSNHPh.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about 1821-27-8. 1821-27-8 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Amine,Benzene, name is Bis(4-nitrophenyl)amine, and the molecular formula is C23H20BN, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Raghavendra, Gutala Jeevan published the artcileDesign and synthesis of 3-ethyl 5-methyl 2-((2-substituted aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate analogues as antitubercular and anti-bacterial agents, Recommanded Product: (E)-3-(3-Nitrophenyl)acrylic acid, the publication is Heterocyclic Letters (2019), 9(1), 79-83, database is CAplus.

A series of eleven novel 3-Et 5-Me 2-((2-substituted aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate analogs, e.g., I [R = 2-(3-nitrophenyl)ethenyl], was synthesized, characterized and screened for their in vitro anti-tubercular activity against MTBH37Rv strain and anti-bacterial activity against Pseudomonas aeruginosa (gram-neg.), Escherichia coli(gram-neg.), Bacillus subtilis (gram-pos.), Staphylococcus aureus (gram-pos.). Many of these compounds exhibited MIC values in the range 12.5-50¦Ìg/mL against Mycobacterium tuberculosis H37RV. Some compounds exhibited good anti-bacterial activity against Pseudomonas aeruginosa with 8 mm, Bacillus subtilis with 9 mm of inhibition.

Heterocyclic Letters published new progress about 1772-76-5. 1772-76-5 belongs to catalysis-chemistry, auxiliary class Benzenes, name is (E)-3-(3-Nitrophenyl)acrylic acid, and the molecular formula is C9H7NO4, Recommanded Product: (E)-3-(3-Nitrophenyl)acrylic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Sheena Mary, Y. published the artcileUnderstanding reactivity of a triazole derivative and its interaction with graphene and doped/undoped-coronene-a DFT study, Recommanded Product: Coronene, the publication is Journal of Biomolecular Structure and Dynamics (2022), 40(5), 2316-2326, database is CAplus and MEDLINE.

In the present study, 4-[(E)-(2-chorobenzylidene)amino]-3-(2-chlorobenzyl)-1H-1,2,4-triazole-5(4H)-thione (CAC) was characterized by spectroscopic investigations. The complete vibrational assignments of frequencies based on PED anal. was determined by DFT through ¦ØB97X-D method with the level of 6-31g(d) basis and compared with exptl. values. Recently nanocluster based drug delivery systems have become the most skilful to study. Interaction mechanism of CAC over coronene (G), doped CAC-G-X (X = B/N/P) and with graphene were investigated. Variations in chem. descriptors are also noted to understand sensing property of CAC mol.-nanoclusters. The anal. of different properties demonstrates enhancement effect which makes it significant in detecting CAC in other products. Mol. electrostatic potential energy surface was employed to investigate the most reactive sites. Besides to gain better insight on structural features, HOMO-LUMO band gap energy and other chem. parameters was obtained. The anticancer activity of CAC against various inhibitors for different protein targets (4AT9, 6NE5, 5ZBQ, and 3A43) was studied using mol. docking.

Journal of Biomolecular Structure and Dynamics published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C6H12N2O, Recommanded Product: Coronene.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Vokin, A. I. published the artcileSolvatochromism of heteroaromatic compounds: XXVIII. Factors affecting the nonspecific solvatochromic effect in the UV spectra of aromatic nitro compounds in aprotic protophilic solvents, Product Details of C12H9N3O4, the publication is Russian Journal of General Chemistry (2006), 76(4), 596-614, database is CAplus.

Examination of the UV spectra of a large series of solvatochromic indicators of the general formula 1-X-4-NO₂-C₆H₄ in aprotic solvents confirmed the proportionality between the dipole moments of these compounds in the ground (¦Ì_g) and first electronically excited (¹A₁, ¦Ì_e) states: ¦Ì_e = r_¦Ì¦Ì_g. The coefficient r_¦Ì was determined by applying the equation of the Bakhshiev-Bilot-Kawski solvatochromism theory both to nonspecifically solvated mols. and to their H complexes with aprotic protophilic solvents. An anisotropy of the electron redistribution was revealed for low-symmetry 1-substituted 2,4-dinitrobenzenes. The r_¦Ì value obtained allowed the calculation of the Kamlet-Taft empirical solvatochromic parameter ¦Ð* on the basis of generalized characteristics of the solvent.

Russian Journal of General Chemistry published new progress about 1821-27-8. 1821-27-8 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Amine,Benzene, name is Bis(4-nitrophenyl)amine, and the molecular formula is C9H8BrF3, Product Details of C12H9N3O4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Sudheesh, N. published the artcileInvestigations on different efficient strategies for the selective synthesis of jasminaldehyde over HRhCO(PPh₃)₃-hexagonal mesoporous silica and chitosan catalysts, Name: 3-(Trimethoxysilyl)propan-1-amine, the publication is Reaction Kinetics, Mechanisms and Catalysis (2022), 135(3), 1485-1502, database is CAplus.

The jasminaldehyde synthesis via conventional cross-aldol condensation of heptanal with benzaldehyde using heterogeneous catalyst with a heptanal:benzaldehyde ratio of 1:4 was performed. Even with 100% conversion of heptanal with 100% selectivity, only 25% benzaldehyde reacts and 75% of benzaldehyde has to remain unreacted as the heptanal:benzaldehyde ratio was 1:4. So here, a strategy was applied in which, addition of heptanal in regular intervals to the reaction mixture was performed by keeping the ratio of heptanal:benzaldehyde as ? 1:4. This could afford to convert 62% of benzaldehyde to jasminaldehyde with 69% selectivity in 20 h. Heptanal was obtained by hydroformylation of 1-hexene. Hence in the next strategy, the investigations was performed for the synthesis of jasminaldehyde via a tandem reaction by individually carrying out hydroformylation and aldol condensation. Hydroformylation of 1-hexene to heptanal and further condensation of this product mixture with benzaldehyde to jasminaldehyde, using heterogeneous catalysts HRh(CO)(PPh₃)₃ encapsulated HMS (HF-1) and amino functionalized chitosan (CH-1) resp. were studied. The study was also extended to perform a single-pot hydroformylation and aldol condensation using heterogeneous catalysts (HF-1) and (CH-1) together. All the strategies were found to be effective for selective synthesis for jasminaldehyde, however the performance for addition of heptanal in regular intervals to the reaction mixture was remarkable due to being capable to consume 62% benzaldehyde.

Reaction Kinetics, Mechanisms and Catalysis published new progress about 13822-56-5. 13822-56-5 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is 3-(Trimethoxysilyl)propan-1-amine, and the molecular formula is C8H5F3O3, Name: 3-(Trimethoxysilyl)propan-1-amine.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia