scholarly journals Synthesis, Characterization and Biological Activates Studies of some New Derivatives From 2-aminoo-5-mercapto-1, 3, 4-thiadiazole

2018 ◽  
Vol 15 (1) ◽  
pp. 48-56
Author(s):  
Baghdad Science Journal
Keyword(s):  
Active Sites ◽  
Acetyl Chloride ◽  
Azo Compounds ◽  
Thiazole Ring ◽  
Diazonium Salts ◽  
Material Base ◽  
Anhydrous Sodium Carbonate ◽  
Full Characterization ◽  
Ft Ir

In this work, thiadiazole derivatives were prepared by taking advantage of active sites in (2-amino-5-mercapto-1, 3, 4-thiadiazole) as a starting material base. The main heterocyclic compounds (1, 3, 4-thiadiazole, oxazole) etc, 2-amino-5-mercapto-1,3,4-thiadiazole compound (1) was prepared by cyclic closure of thiosemicarbazide compound with anhydrous sodium carbonate and carbon disulfide. Oxidation of (1) via hydrogen peroxide, to have (2) which was treated with chloro acetyl chloride to get (3). Preparation of thiazole ring (4) was from reacting of (3) with thiourea. Synthesis of diazonium salts (5) from compound (4) using sodium nitrite and HCl. Compound (5) reacted with different ester compounds to prepare a new azo compounds (6–8).Compound (3) reacts with viruses secondary amine to prepare compound (9–11). Full characterization of the synthesized compounds was done by using spectroscopic analysis such as FT-IR, 1H-NMR and C.H.N.S. technique.

Diffuse Reflectance FT-IR Characterization of Active Sites under Reaction Conditions: The Production of Oxygenates in the CO/H2 Reaction

1994 ◽  
Vol 48 (10) ◽  
pp. 1208-1212 ◽  
Author(s):  
J. J. Benítez ◽  
I. Carrizosa ◽  
J. A. Odriozola
Keyword(s):  
Infrared Spectra ◽  
Active Sites ◽  
Diffuse Reflectance ◽  
Reaction Conditions ◽  
In Situ Drifts ◽  
Ft Ir

The reactivity of a Lu2O3-promoted Rh/Al2O3 catalyst in the CO/H2 reaction is reported. Methane, heavier hydrocarbons, methanol, and ethanol are obtained. In situ DRIFTS has been employed to record the infrared spectra under the actual reaction conditions. The structure of the observed COads DRIFTS bands has been resolved into its components. The production of oxygenates (methanol and ethanol) has been correlated with the results of the deconvolution calculation. Specific sites for the production of methanol and ethanol in the CO/H2 reaction over a Rh,Lu2O3/Al2O3 catalyst are proposed.

scholarly journals Characterization and Structure Elucidation of Binary Zr:Ti MEL Structure; Simultaneous Photodegradation/Removal of Organic–Inorganic Pollutants

Catalysts ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 633
Author(s):  
Samia A. Kosa ◽  
Islam H. Abd El Maksod ◽  
Eman Z. Hegazy ◽  
Naha M. Al-sebaii
Keyword(s):  
Crystalline Phase ◽  
Active Site ◽  
Structure Elucidation ◽  
Active Sites ◽  
Mutual Effect ◽  
Blue Dye ◽  
Inorganic Pollutants ◽  
Full Characterization ◽  
Cobalt And Nickel

The preparation of a series of different Ti/Zr MEL structure was performed successfully. Full characterization of the prepared materials was done using XRD, IR, DR, and SEM. The results show that the prepared materials contain only one crystalline phase (ZSM-11). The affinity of Zr to form the crystalline phase alone in a binary Zr/Ti synthesizing mixture was approved by SEM and elemental analysis results. The percentage of each active site was calculated. DR spectra were deconvoluted, and three active sites were supposed and quantified (tetragonal, octahedral, and crystalline). The mutual effect of ions (lead, copper, cobalt, and nickel) and methylene blue dye on the removal efficiency with and without ultraviolet irradiation was examined and fully characterized. The ions largely influence the photodegradation process, and a mechanism was formulated. Meanwhile, the presence of dye showed a negligible effect on the removal of ions.

scholarly journals Synthesis, characterization and DFT computational studies of new heterocyclic azo compounds

2018 ◽  
Vol 9 (2) ◽  
pp. 84-88 ◽  
Author(s):  
Faeza Almashal ◽  
Abeer Mohamed Jabar ◽  
Adil Muala Dhumad
Keyword(s):  
Electronic Structures ◽  
Basis Set ◽  
Azo Compounds ◽  
Mulliken Charge ◽  
Diazonium Salts ◽  
B3lyp Method ◽  
Nmr Techniques ◽  
Ft Ir ◽  
Theory Calculation ◽  
Homo Lumo

New heterocyclic azo compounds were prepared by coupling the diazonium salts with N-(4-methylphenyl)maleimide with various different sulfa compounds. The structure of heterocyclic azo compounds was determined by MS, FT-IR and 1H NMR techniques. The density function theory calculation at the B3LYP method with 6-311G(d,p) basis set is used to investigate the electronic structures of the prepared heterocyclic azo compounds. Mulliken charge distributions and HOMO-LUMO energies of the mentioned compounds have been also computed by same method and basis set.

scholarly journals Synthesis and Characterization of Some New Azo Dyes Derivatives Via Chalcone and Study Some of Their Biological Activity

2016 ◽  
Vol 13 (1) ◽  
pp. 122-132
Author(s):  
Baghdad Science Journal
Keyword(s):  
Biological Activity ◽  
Azo Dyes ◽  
Coupling Reaction ◽  
Basic Medium ◽  
Synthesis And Characterization ◽  
Diazonium Salts ◽  
Amino Group ◽  
Ft Ir ◽  
New Compounds

This work includes synthesis of new six membered heterocyclic rings with effective amino group using the reaction of benzylideneacetophenone (chalcone) (1) with thiourea or urea in alcoholic basic medium to form: 1,3-thiazen-2-amine (2), and 1,3-oxazin-2-amine (8) respectively. The diazotization reaction was carried out with sodium nitrite in presence of hydrochloric acid to form diazonium salts which suffered coupling reaction with naphthols and phenols in the presence of sodium hydroxide to form colored azo dyes (4-7, and 10-13). o-methylation reaction of compounds (7) and (10) yielded : 1,3-thiazin -2-yl-diazenyl (14), and 1,3-oxazin-2-yl-diazenyl (15) respectively.The new compounds were characterized using various physical techniques like: UV-Vis., FT-IR, and 1HNMR spectra. Some new compounds were tested against bacteria.

scholarly journals Physicochemical characterization of C-phycocyanin from Plectonema sp. and elucidation of its bioactive potential through in silico approach

2022 ◽  
Vol 67 (4) ◽  
pp. 68-82
Author(s):  
Arbab Husain ◽  
Alvina Farooqui ◽  
Afreen Khanam ◽  
Shubham Sharma ◽  
Sadaf Mahfooz ◽  
...  
Keyword(s):  
Free Radicals ◽  
In Silico ◽  
Active Sites ◽  
Glycogen Synthase ◽  
Physicochemical Characterization ◽  
Peak Time ◽  
Spectroscopic Techniques ◽  
Ft Ir ◽  
Bioactive Potential

C-phycocyanin (C-PC), the integral blue-green algae (BGA) constituent has been substantially delineated for its biological attributes. Numerous reports have illustrated differential extraction and purification techniques for C-PC, however, there exists paucity in a broadly accepted process of its isolation. In the present study, we reported a highly selective C-PC purification and characterization method from nontoxic, filamentous and non-heterocystous cyanobacterium Plectonema sp. C-PC was extracted by freeze-thawing, desalted and purified using ion-exchange chromatography. The purity of C-PC along with its concentration was found to be 4.12 and 245 µg/ml respectively.  Comparative characterization of standard and purified C-PC was performed using diverse spectroscopic techniques namely Ultra Violet-visible, fluorescence spectroscopy and Fourier transform infrared (FT-IR). Sharp peaks at 620 nm and 350 nm with UV-visible and FT-IR spectroscopy respectively, confirmed amide I bands at around 1638 cm-1 (C=O stretching) whereas circular dichroism (CD) spectra exhibited α-helix content of secondary structure of standard 80.59% and 84.59% of column purified C-PC. SDS-PAGE exhibited two bands of α and β subunits 17 and 19 kDa respectively. HPLC evaluation of purified C-PC also indicated a close resemblance of retention peak time (1.465 min, 1.234 min, 1.097 min and 0.905 min) with standard C-PC having retention peak timing of 1.448 min, 1.233 min and 0.925 min. As a cautious approach, the purified C-PC was further lyophilized to extend its shelf life as compared to its liquid isoform. To evaluate the bioactive potential of the purified C-PC in silico approach was attempted. The molecular docking technique was carried out of C-PC as a ligand-protein with free radicals and α-amylase, α-glucosidase, glycogen synthase kinase-3 and glycogen phosphorylase enzymes as receptors to predict the free radical scavenging (antioxidant) and to target antidiabetic property of C-PC. In both receptors free radicals and enzymes, ligand C-PC plays an important role in establishing interactions within the cavity of active sites. These results established the antioxidant potential of C-PC and also give a clue towards its antidiabetic potential warranting further research.

scholarly journals Characterization of the Evolution of Noble Metal Particles in a Commercial Three-Way Catalyst: Correlation between Real and Simulated Ageing

Catalysts ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 247
Author(s):  
Mattia Giuliano ◽  
Maria Carmen Valsania ◽  
Pierfrancesco Ticali ◽  
Enrico Sartoretti ◽  
Sara Morandi ◽  
...  
Keyword(s):  
Active Sites ◽  
Pd Nanoparticles ◽  
Metal Particles ◽  
Good Correspondence ◽  
Synthetic Gas ◽  
Morphological Modification ◽  
Ft Ir ◽  
Three Way Catalyst ◽  
Chemical Ageing

Ageing of automotive catalysts is associated to a loss of their functionality and ultimately to a waste of precious resources. For this reason, understanding catalyst ageing phenomena is necessary for the design of long lasting efficient catalysts. The present work has the purpose of studying in depth all the phenomena that occur during ageing, in terms of morphological modification and deactivation of the active materials: precious metal particles and oxidic support. The topic was deeply investigated using specific methodologies (FT-IR, CO chemisorption, FE-SEM) in order to understand the behavior of metals and support, in terms of their surface properties, morphology and dispersion in the washcoat material. A series of commercial catalysts, aged in different conditions, have been analyzed, in order to find correlations between real and simulated ageing conditions. The characterization highlights a series of phenomena linked to the deactivation of the catalysts. Pd nanoparticles undergo a rapid agglomeration, exhibiting a quick loss of dispersion and of active sites with an increase of particles size. The evolution of the support allows highlighting also the contribution of chemical ageing effects. These results were also correlated with performance tests executed on synthetic gas bench, underlining a good correspondence between vehicle and laboratory aged samples and the contribution of chemical poisoning to vehicle aged ones. The collected data are crucial for the development of accelerated laboratory ageing protocols, which are instrumental for the development and testing of long lasting abatement systems.

scholarly journals Synthesis and Characterization of 3 - Substituted Coumarin

2016 ◽  
Vol 13 (1) ◽  
pp. 89-96
Author(s):  
Baghdad Science Journal
Keyword(s):  
Acetic Acid ◽  
Schiff Bases ◽  
1H Nmr ◽  
Acetyl Chloride ◽  
Aromatic Aldehydes ◽  
Synthesis And Characterization ◽  
Carbonyl Chloride ◽  
Ft Ir

The reaction of(2-oxo-2H-chromen-3-Carbonyl chloride)(k1) with hydrazine in boiling ethanol gives the hydrazide(K2).When compound (k2) reacts with various aromatic aldehydes ,the corres ponding Schiff bases(k3–k4) achieve new series of thiazotidines (k5–k6) and azetidinones (k7–k8) obtained from the reactions of appropriate Schiff bases with mercapto acetic acid and chloro acetyl chloride respectively. All the compounds are characterized by FT-IR,1H-NMR and GC-Ms.

scholarly journals Synthesis and Characterization of some new Ibuprofen Derivatives and Study Antibacterial Activity

2020 ◽  
Vol 10 (03) ◽  
pp. 454-458
Author(s):  
Khalida A. Thejeel
Keyword(s):  
Antibacterial Activity ◽  
Acetyl Chloride ◽  
Acid Hydrazide ◽  
Aromatic Aldehydes ◽  
Secondary Amines ◽  
Schiff’S Base ◽  
E Coli ◽  
Aldehydes And Ketones ◽  
Ft Ir

The series of ibuprofen compounds (1–5) have been synthesized. Acid chloride (4-isobutylphenyl) acetyl chloride (1) was obtained from interaction ibuprofen with thionyl chloride, this compound (1) was treated with hydrazine to give acid hydrazide 2-(4-isobutylphenyl) acetohydrazide (2). Schiff’s base of 2-(4-isobutylphenyl) acetohydrazide derivatives (3a–e) were prepared by refluxing (2) with different aromatic aldehydes and ketones. The (4-isobutylphenyl) acetyl chloride (1) converts to esters (4a–f) by reacting with alcohols, and with secondary amines to give amide compounds of (4-isobutylphenyl) acetyl chloride (5a–b). All structures of synthesized compounds have been confirmed by elemental analysis (C, H, and N) and spectral data (FT-IR and 1H NMR). The prepared compounds (3a–e) and (4a–f) have been screened for their antibacterial activity for S. aureus, B. subtilis, E. coli, P. aeuroginosa, and were shown to have antibacterial activity.

Synthesis of Amidation Agents and their Reactivity in Condensation Reactions

Synthesis ◽  
2020 ◽  
Author(s):  
Roberto Sole ◽  
Vanessa Gatto ◽  
Silvia Conca ◽  
Lodovico Agostinis ◽  
Noemi Bardella ◽  
...  
Keyword(s):  
Quaternary Ammonium ◽  
Quaternary Ammonium Salts ◽  
Ammonium Salts ◽  
The Novel ◽  
Reaction Conditions ◽  
1H And 13C Nmr ◽  
Full Characterization ◽  
Ft Ir

Nowadays, the development of new approaches which smartly bypass the use of harsh reaction conditions and hazardous chemicals covers a pivotal role. In this research paper the synthesis, characterization and application of novel libraries of triazine bis-quaternary ammonium salts, employed as coupling agents to produce amides, is reported. Full characterization of the novel compounds by 1H and 13C NMR, FT-IR spectroscopy, ESI-HRMS and elemental analysis (EA) is provided. Furthermore, a comparison in terms of activity of the preformed triazine compounds versus in situ formulations has been evaluated for the formation of amides in the presence of phenylethylamine and different aliphatic or aromatic acids. A possible correlation between the chemical structure of the triazine and their reactivity for the formation of the triazine bis-quaternary ammonium salts is also reported. Moreover, best performing condensation agents have been further tested for the cross-linking of collagen powder as possible wet white tanning systems, for sustainable and environmentally friendly leather tanning.

scholarly journals Development of c-type lectin oriented surfaces for high avidity glycoconjugates: towards mimicking multivalent interactions on the cell surface

2019 ◽  
Author(s):  
Vanessa Porkolab ◽  
Carlo Pifferi ◽  
Ieva Sutkeviciute ◽  
Stefania Ordanini ◽  
Marwa Taouai ◽  
...  
Keyword(s):  
Active Sites ◽  
Direct Interaction ◽  
High Avidity ◽  
Binding Properties ◽  
Binding Partner ◽  
Full Characterization ◽  
Wide Range ◽  
Multivalent Interactions ◽  
Binding Mechanisms

ABSTRACTMultivalent interactions between complex carbohydrates and oligomeric C-type lectins govern a wide range of immune responses. Up to date, standard SPR (surface plasmon resonance) competitive assays have largely been to evaluate binding properties from monosaccharide units (low affinity, mM) to multivalent elemental antagonists (moderate affinity, µM). Herein, we report typical case-studies of SPR competitive assays showing that they underestimate the potency of glycoclusters to inhibit the interaction between DC-SIGN and immobilized glycoconjugates. This paper describes the design and implementation of a SPR direct interaction over DC-SIGN oriented surfaces, extendable to other C-type lectin surfaces as such Langerin. This setup provides a microscopic overview of intrinsic avidity generation emanating simultaneously from multivalent glycoclusters and from DC-SIGN tetramers that are organized in nanoclusters on the cell membrane. For this purpose, covalent biospecific capture of DC-SIGN via StreptagII /StrepTactin interaction offers the preservation of tetrameric DC-SIGN and the accessibility/functionality of all active sites. From the tested glycoclusters libraries, we demonstrated that the scaffold architecture, the valency and the glycomimetic-based ligand are crucial to reach nanomolar affinities for DC-SIGN. The glycocluster 3.D illustrates the tightest binding partner in this set for a DC-SIGN surface (Kd= 18 nM). Moreover, the selectivity at monovalent scale of glycomimetic D can be easily analyzed at multivalent scale comparing its binding over different C-type lectin immobilized surfaces. This approach may give rise to novel insights into the multivalent binding mechanisms responsible to avidity and make a major contribution to the full characterization of the binding potency of promising specific and multivalent immunomodulators.

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