Design of a helix-bundle cross-link: NMR and UV-visible spectroscopic analyses and molecular modeling of ring-oxidized retinals

Biochemistry ◽  
1991 ◽  
Vol 30 (11) ◽  
pp. 2976-2988 ◽  
Author(s):  
Thomas C. Williams ◽  
Venkatachalam Mani
Keyword(s):  
Molecular Modeling ◽  
Cross Link ◽  
Helix Bundle ◽  
Spectroscopic Analyses ◽  
Uv Visible

scholarly journals 2-Mercaptobenzoxazole pentacyanoferrate(II/III) complexes: UV-Visible, Mössbauer, electron paramagnetic resonance, electrochemistry and molecular modeling

2004 ◽  
Vol 15 (1) ◽  
pp. 10-15 ◽  
Author(s):  
Juciane B Luiz ◽  
Fabiano M. de Andrade ◽  
Eduardo L. de Sá ◽  
Geraldo R Friedermann ◽  
Antonio S Mangrich ◽  
...  
Keyword(s):  
Electron Paramagnetic Resonance ◽  
Molecular Modeling ◽  
Paramagnetic Resonance ◽  
Uv Visible ◽  
Electron Paramagnetic

Interaction of thymidylate synthase with pyridoxal 5'-phosphate as studied by UV/visible difference spectroscopy and molecular modeling

Biochemistry ◽  
1993 ◽  
Vol 32 (44) ◽  
pp. 11819-11824 ◽  
Author(s):  
Daniel V. Santi ◽  
Tian Mei Ouyang ◽  
Anthony K. Tan ◽  
Donald H. Gregory ◽  
Thomas Scanlan ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Thymidylate Synthase ◽  
Difference Spectroscopy ◽  
Uv Visible

scholarly journals Enzymic formation of riboflavin 4′,5′-cyclic phosphate from FAD: evidence for a specific low-Km FMN cyclase in rat liver1

1998 ◽  
Vol 330 (2) ◽  
pp. 881-888 ◽  
Author(s):  
Francisco José FRAIZ ◽  
Rosa María PINTO ◽  
María Jesús COSTAS ◽  
Martín ÁVALOS ◽  
José CANALES ◽  
...  
Keyword(s):  
Enzyme Activity ◽  
Rat Liver ◽  
Cytosolic Fraction ◽  
Biological Relevance ◽  
Spectroscopic Analyses ◽  
Regulatory Signal ◽  
Cyclic Phosphate ◽  
Liver Homogenates ◽  
Uv Visible

An enzyme activity splitting FAD to AMP and riboflavin 4ʹ,5ʹ-cyclic phosphate (4ʹ,5ʹ-cFMN), with a Km of 6-8 μM, was partially purified from the cytosolic fraction of rat liver homogenates. 4ʹ,5ʹ-cFMN was characterized by enzyme, HPLC, UV-visible and NMR spectroscopic analyses. The data suggest that a novel enzyme, tentatively named FAD-AMP lyase (cyclizing) or FMN cyclase, is involved. Also, 4ʹ,5ʹ-cFMN was hydrolysed to 5ʹ-FMN by a rat liver cyclic phosphodiesterase. The results indicate a novel enzymic pathway for flavins in mammals, and support the biological relevance of 4ʹ,5ʹ-cFMN, perhaps as a flavocoenzyme or a regulatory signal.

Color change of tourmaline by heat treatment and electron beam irradiation: UV-Visible, EPR, and Mid-IR spectroscopic analyses

2016 ◽  
Vol 68 (1) ◽  
pp. 83-92 ◽  
Author(s):  
Apichate Maneewong ◽  
Baek Seok Seong ◽  
Eun Joo Shin ◽  
Jeong Seog Kim ◽  
Varavuth Kajornrith
Keyword(s):  
Heat Treatment ◽  
Electron Beam ◽  
Electron Beam Irradiation ◽  
Color Change ◽  
Beam Irradiation ◽  
Spectroscopic Analyses ◽  
Uv Visible ◽  
Ir Spectroscopic

scholarly journals Aerobic Degradation of Clothianidin to 2-Chloro-methyl Thiazole and Methyl 3-(Thiazole-yl) Methyl Guanidine Produced by Pseudomonas stutzeri smk

2019 ◽  
Vol 2019 ◽  
pp. 1-12 ◽  
Author(s):  
Satish G. Parte ◽  
Arun S. Kharat
Keyword(s):  
Pseudomonas Stutzeri ◽  
Rrna Gene ◽  
Aerobic Degradation ◽  
Negative Bacterium ◽  
16S Rrna Gene Sequences ◽  
Enrichment Technique ◽  
Spectroscopic Analyses ◽  
Uv Visible ◽  
Agricultural Yields ◽  
Specific Degradation

Overuse of pesticides in agriculture may harm environmental and agricultural yields. Sustainable maintenance of soil fertility and management of the environment have become a concern due to the persistence of pesticides in the soil. Microbes have various mechanisms for the bioremediation of persistent organic pollutants from the environment. A bacterium that degrades clothianidin was isolated from the pesticide and applied to agricultural soil by the enrichment technique. The identity of the bacterium was determined by studying morphological, cultural, and biochemical characteristics and 16S rRNA gene sequences. The ability to metabolize clothianidin was confirmed using UV-visible spectrophotometric, chromatographic, and spectroscopic analyses. A Gram-negative bacterium, designated smk, isolated from clothianidin-contaminated soil was confirmed to be a member of Pseudomonas stutzeri. The biodegradation of clothianidin was studied using P. stutzeri smk. Approximately 62% degradation of clothianidin was achieved within two weeks when grown at 30°C and pH 7. The effects of various physicochemical parameters, including pH, temperature, and clothianidin concentrations, on catabolic rates were studied. The biodegradation studies using UV-Vis spectrophotometry, HPLC, FTIR, and LC-MS indicated the production of the following metabolites: 2-chloro-5-methyl thiazole (CMT), methyl nitroguanidine (MNG), methyl 3-[thiazole-yl], and methyl guanidine (TMG). Identification of specific degradation metabolites indicates that bioremediation of toxic neonicotinoid insecticides may be achieved by application of P. stutzeri smk.

scholarly journals New insights for titanium(iv) speciation in acidic media based on UV-visible and 31P NMR spectroscopies and molecular modeling

RSC Advances ◽  
2021 ◽  
Vol 11 (43) ◽  
pp. 27059-27073
Author(s):  
Lucas Mangold ◽  
Hubert Halleux ◽  
Sébastien Leclerc ◽  
Aurélien Moncomble ◽  
Gérard Cote ◽  
...  
Keyword(s):  
Nitric Acid ◽  
Molecular Modeling ◽  
Phosphoric Acid ◽  
Aqueous Solutions ◽  
Spectroscopic Study ◽  
31P Nmr ◽  
Acidic Media ◽  
Polynuclear Species ◽  
Uv Visible

A spectroscopic study of titanium(iv) speciation in diluted nitric acid (model of non-complexing medium) and 0.1–12.7 mol L−1 phosphoric acid aqueous solutions. Evidence for the presence of polynuclear species is supported by molecular modeling.

scholarly journals SYNTHESIS AND PRELIMINARY MOLECULAR DOCKING STUDIES OF NOVEL ETHYL-GLYCINATE AMIDE DERIVATIVES

2020 ◽  
Vol 8 (9) ◽  
pp. 368-382
Author(s):  
Ayuk Eugene L. ◽  
Precious A. Afoke ◽  
Samuel B. Aronimo ◽  
Temitayo A. Olowolafe
Keyword(s):  
Molecular Docking ◽  
Binding Energy ◽  
Docking Studies ◽  
Binding Energies ◽  
Coupling Reactions ◽  
Melting Points ◽  
Spectroscopic Analyses ◽  
Amide Derivatives ◽  
Uv Visible ◽  
Fischer Esterification

Ethyl glycinate was synthesized by the Fischer esterification protocol, and its amide derivatives; 2-amino-N-(nitrophenyl)acetamide 31, 2-amino-N-(6-methylpyridin-2-yl) acetamide 33, N,N'-(1,4-phenylene)bis-(2-aminoacetamide) 35, N,N'-(6-chloropyrimidine-2,4-diyl)bis-(2-aminoacetamide) 37, and 2,4-(diamino-N’N-6-hydroxypyrimidyl)acetamide 39 respectively were obtained  by coupling reactions of 4-nitroaniline, 2-amino-6-methylpyridine, 1,4-diamino-N,N’-benzene, 2,6-diamino-4-chloropyrimidine and 2,4-diamino-6-hydroxypyrimidine respectively with ethyl glycinate.  These compounds were characterized on the basis of their melting points, UV-Visible, IR, 1HNMR and 13CNMR spectroscopic analyses. The results obtained from the spectra were consistence with the assigned structures of the compounds. The synthesized compounds were subjected to molecular docking with a target protein, 1CVU to compare their binding energies with celecoxib and rofecoxib which are standard drugs that inhibit COX2 enzyme. From the docking results, the binding energies values of the above synthesized compounds are -5.8 kJmol-1, -6.2 kJmol-1, -7.2 kJmol-1, -7.4 kJmol-1 and -7.6 kJmol-1 respectively. Compound 39 showed the highest binding energy of -7.6 kJmol-1, close to celecoxib and rofecoxib with binding energy values of -8.0 kJmol-1 and -8.2 kJmol-1 respectively. This result indicates that compound 39 possess some level of inhibitory activity against COX2.

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