scholarly journals Dicopper(II)-EDTA Chelate as a Bicephalic Receptor Model for a Synthetic Adenine Nucleoside

2021 ◽  
Vol 14 (5) ◽  
pp. 426
Author(s):  
María Eugenia García-Rubiño ◽  
Antonio Matilla-Hernández ◽  
Antonio Frontera ◽  
Luis Lezama ◽  
Juan Niclós-Gutiérrez ◽  
...  
Keyword(s):  
Theoretical Calculations ◽  
Metal Chelate ◽  
Esr Spectra ◽  
Receptor Model ◽  
X Ray Diffraction ◽  
One Pot ◽  
Extensive Field ◽  
Symmetric Molecule ◽  
Spin Resonance ◽  
Ft Ir

In the extensive field of metal ions, their interactions with nucleic acids, and their constituents, the main aim of this work is to develop a metal chelate suitable to recognize two molecules of an adenine nucleoside. For this purpose, the dinuclear chelate Cu2 (µ-EDTA) (ethylenediaminetetraacetate(4-) ion (EDTA)) is chosen as a bicephalic receptor model for N9-(2-hydroxyethyl)adenine (9heade). A one-pot synthesis is reported to obtain the compound [Cu2(µ2-EDTA)(9heade)2(H2O)4]·3H2O, which has been characterized by single-crystal X-ray diffraction and various spectral, thermal, and magnetic methods. The complex unit is a centro-symmetric molecule, where each Cu (II) center is chelated by a half-EDTA, and is further surrounded by an N7-dentate 9heade nucleoside and two non-equivalent trans-O-aqua molecules. The metal chelate-nucleoside molecular recognition is referred to as an efficient cooperation between the Cu-N7(9heade) coordination bond and a (9heade)N6-H···O(carboxyl, EDTA) interligand interaction. Theoretical calculations are also made to account for the relevance of this interaction. The extreme weakness with which each water molecule binds to the metal center disturbs the thermal stability and the infrared (FT-IR) and electron spin resonance (ESR) spectra of the compound.

scholarly journals Synthesis of new bimetallic phosphate (Al/Ag3PO4) and study for its Catalytic performance in the synthesis of 1,2-dihydro-l-phenyl-3H-naphth [1,2-e]-[1,3] oxazin-3-one derivatives

2021 ◽  
Vol 11 (3) ◽  
pp. 215
Author(s):  
Achraf El Hallaoui ◽  
Tourya Ghailane ◽  
Soukaina Chehab ◽  
Youssef Merroun ◽  
Rachida Ghailane ◽  
...  
Keyword(s):  
Reaction Times ◽  
Catalytic Performance ◽  
X Ray Diffraction ◽  
One Pot ◽  
X Ray ◽  
Silver Sulfate ◽  
Triple Super Phosphate ◽  
Aryl Aldehyde ◽  
Ft Ir ◽  
First Time

<p>This work aims to prepare a new bimetallic phosphate catalyst using a new simple and effective method. This new catalyst was ready for the first time by a modification of Triple Super Phosphate (TSP) fertilizer with silver sulfate (AgSO<sub>4</sub>), followed by the impregnation of the aluminum atoms using aluminum nitrate (Al(NO<sub>3</sub>)<sub>3</sub>). The use of Al/Ag<sub>3</sub>PO<sub>4</sub>, for the first time as a heterogeneous catalyst in organic chemistry, offers a new, efficient, and green pathway for synthesizing 1,2-dihydro-l-phenyl-3H-naphth[1,2-e]-[1,3]oxazin-3-one derivatives by one-pot three-component cyclocondensation of b-naphthol, aryl aldehyde, and urea. The structure and the morphology of the prepared catalyst were characterized by spectroscopic methods such as X-Ray Diffraction (XRD), Fourier Transform Infrared spectroscopy (FT-IR), and dispersive X-ray spectrometry coupled with a scanning electron microscope (EDX-SEM). In addition, the optimization of the reaction parameters was carried out considering the effect of catalyst amount, the temperature, and the solvent. The procedure described herein allowed a comfortable preparation of oxazine derivatives with excellent yields, short reaction times, and in the absence of organic solvent.</p>

A study of adsorption and absorption mechanisms of copper in palygorskite

Clay Minerals ◽  
2008 ◽  
Vol 43 (2) ◽  
pp. 195-203 ◽  
Author(s):  
Y. F. Cai ◽  
J. Y. Xue
Keyword(s):  
Photoelectron Spectroscopy ◽  
Esr Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Tetrahedral Sites ◽  
Octahedral Cation ◽  
Spin Resonance ◽  
Before And After ◽  
Cu Ions ◽  
Complex Ion

AbstractDesorption experiments performed on four Cu-adsorbed palygorskites suggest that the leached Cu2+ ion originates at the surface and/or net-like interstice of the palygorskite fibres. The leached fraction, calculated from the quantities of adsorbed Cu2+ before and after desorption, is <1%. This may indicate that the majority of Cu is in inaccessible structural sites. X-ray diffraction, X-ray photoelectron spectroscopy, Fourier transform infrared (FTIR) spectroscopy and electron spin resonance (ESR) were used to determine the mineralogical character of the Cu-adsorbed palygorskite. Two photoelectron lines at 932.5 and/or 933.7 eV in the narrow scan Cu 2p3/2 spectra show that Cu adsorbed on the surface of palygorskite is in the Cu+ and Cu2+ state. The stretching vibrations of the octahedral cation shift ~3–5 cm–1 towards a greater wavenumber in the FTIR spectra of Cu-adsorbed palygorskite. It can be deduced that the Cu2+ is trapped in the channel of the palygorskite structure. The ESR spectra of the palygorskite give g values of 2.34, 2.12, 2.08 and 2.05, suggesting that some Cu ions cannot be reached by H+. These results confirm that Cu is adsorbed by palygorskite via three possible mechanisms: (1) the Cu is adsorbed onto the surface or in a net-like interstice, and its oxidation states are +1 and +2; (2) Cu forms a complex ion – [Cu(H2O)4]2+ or [Cu(H2O)6]2+, and is trapped in the channel; or (3) Cu enters into the hexagonal channel of the tetrahedral sites or the unoccupied octahedral sites of palygorskite.

Fe-Doped UiO-66 Combined with ZnIn2S4 for Adsorption and Degradation of RhB Under Visible Light

NANO ◽  
2020 ◽  
Vol 15 (07) ◽  
pp. 2050089
Author(s):  
Litong Niu ◽  
Shaoping Hu ◽  
Yali Ma ◽  
Mingming Wang ◽  
Bolin Lv ◽  
...  
Keyword(s):  
Visible Light ◽  
Electrochemical Impedance ◽  
Diffuse Reflectance Spectroscopy ◽  
Photogenerated Electron ◽  
Impedance Spectrum ◽  
Solvothermal Reaction ◽  
Electrochemical Impedance Spectrum ◽  
X Ray Diffraction ◽  
One Pot ◽  
Ft Ir

Novel ZnIn2S4/FeUiO-66 (ZFeU) photocatalyst with different proportion of FeUiO-66 has been successfully prepared by a facile one-pot solvothermal reaction. The as-synthesized nanocomposites have been thoroughly characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform-infrared spectroscopy (FT-IR), UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), Brunauer–Emmett–Teller (BET) characterization, photoluminescence (PL) analysis and electrochemical impedance spectrum (EIS). The photocatalytic performance of ZFeU nanocomposites for the photodegradation of RhB under visible light irradiation was better than that of ZnIn2S4 and FeUiO-66 alone. The experiment results showed the 20% ZFeU nanocomposites had the best photocatalytic properties. At the same time, a probable mechanism was discussed and it was believed that introduction of FeUiO-66 on ZnIn2S4 would minimize the recombination of photogenerated electron-hole pairs, leading to the enhancement of the photocatalytic activity.

scholarly journals Ag2O/GO/TiO2 Composite Nanostructure: an efficient heterogeneous catalyst for one pot synthesis of Bis (dihydropyrimidinone) and tetrahydro-4H-chromenes derivatives

2021 ◽  
Author(s):  
Fatemeh Samandi Zadeh ◽  
Mohammad Kazem Mohammadi ◽  
Ayeh Raeiatzadeh ◽  
Neda Hasanzadeh
Keyword(s):  
Condensation Reaction ◽  
Aromatic Aldehydes ◽  
Synthesis Methods ◽  
X Ray Diffraction ◽  
One Pot ◽  
Transmission Electron ◽  
One Pot Condensation ◽  
Effective Synthesis ◽  
Ft Ir ◽  
Biginelli Condensation

Abstract The simple and efficient synthesis reaction was used for preparing Bis (dihydropyrimidinone) derivatives through Biginelli condensation reaction of terephthalic aldehyde, 1, 3-dicarbonyl compounds and (thio) urea or guanidine and tetrahydro-4H-chromenes via one pot condensation of aromatic aldehydes, malononitrile and dimedone with Ag2O/GO/TiO2 composite nanostructures as a catalyst. The structural functionalities and morphological observations of catalyst were obtained using characterization techniques of field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), Fourier transfer infrared (FT-IR) spectroscopy and transmission electron microscope (TEM). The structures of Bis (dihydropyrimidinone) and tetrahydro-4H-chromenes confirmed by FT- IR, NMR and mass spectroscopy. Excellent yields of the products, simple reaction process and simple work-up are attractive features of these effective synthesis methods.

scholarly journals One-Pot Hydrothermal Synthesis, Characterization, and Desulfurization Performance of ZnFe2O4/AC Composites

2018 ◽  
Vol 2018 ◽  
pp. 1-10 ◽  
Author(s):  
Hui-qiang Wang ◽  
Ming-hua Liu ◽  
Xin Luo ◽  
Yi-fan Liu ◽  
Fei-er Chen ◽  
...  
Keyword(s):  
Adsorption Capacity ◽  
Photoelectron Spectroscopy ◽  
Performance Test ◽  
X Ray Diffraction ◽  
One Pot ◽  
X Ray ◽  
Synthesis Conditions ◽  
Ft Ir ◽  
The One ◽  
Sulfur Adsorption

ZnFe2O4/AC composites were prepared by the one-pot hydrothermal method using the activated carbon (AC) as a carrier. The synthesis conditions were optimized by a single-factor experiment. The structural, textural, and surface properties of the adsorbent have been comprehensively characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier-transform infrared (FT-IR) spectroscopy, Brunauer–Emmett–Teller (BET) measurements, and X-ray photoelectron spectroscopy (XPS) analysis. The SO2 removal capacities of the composites were investigated via testing the adsorption capacity at the self-made desulfurization equipment. The results show that the adsorption capacity of ZnFe2O4/AC composites is much higher than that of the AC and ZnFe2O4 samples, respectively. The composite overcomes the disadvantages of the traditional sintering, showing a very high desulfurization performance. The breakthrough time was 147 min, and the sulfur adsorption capacity could reach 23.67% in the desulfurization performance test.

scholarly journals Design and Synthesis of N-Substituted 3,4-Pyrroledicarboximides as Potential Anti-Inflammatory Agents

2021 ◽  
Vol 22 (3) ◽  
pp. 1410
Author(s):  
Aleksandra Redzicka ◽  
Żaneta Czyżnikowska ◽  
Benita Wiatrak ◽  
Katarzyna Gębczak ◽  
Andrzej Kochel
Keyword(s):  
Secondary Amines ◽  
X Ray Diffraction ◽  
Screening Assay ◽  
Binding Properties ◽  
Qsar Study ◽  
One Pot ◽  
Design And Synthesis ◽  
Ft Ir ◽  
Cox 2 ◽  
Cox 1

In the present paper, we describe the biological activity of the newly designed and synthesized series N-substituted 3,4-pyrroledicarboximides 2a–2p. The compounds 2a–2p were obtained in good yields by one-pot, three-component condensation of pyrrolo[3,4-c]pyrrole scaffold (1a–c) with secondary amines and an excess of formaldehyde solution in C2H5OH. The structural properties of the compounds were characterized by 1H NMR, 13C NMR FT-IR, MS, and elemental analysis. Moreover, single crystal X-ray diffraction has been recorded for compound 2h. The colorimetric inhibitor screening assay was used to obtain their potencies to inhibit COX-1 and COX-2 enzymes. According to the results, all of the tested compounds inhibited the activity of COX-1 and COX-2. Theoretical modeling was also applied to describe the binding properties of compounds towards COX-1 and COX-2 cyclooxygenase isoform. The data were supported by QSAR study.

scholarly journals Synthesis of functionalized bicyclic pyridones containing dithiocarbamate group using thioazlactones, diamines and nitroketene dithioacetal

SynOpen ◽  
2021 ◽  
Author(s):  
Marziyeh Saeedi ◽  
maryam khoshdoun ◽  
Salman Taheri ◽  
Azim Ziyaei Halimehjani ◽  
Aliasghar Mohammadi ◽  
...  
Keyword(s):  
Alkylation Reaction ◽  
X Ray Diffraction ◽  
One Pot ◽  
Three Component Reaction ◽  
Reaction Proceeds ◽  
Ketene Dithioacetal ◽  
Ft Ir ◽  
High Yields ◽  
Nitro Ketene Dithioacetal ◽  
Dithiocarbamate Group

An efficient method for the synthesis of highly substituted bicyclic pyridone derivatives containing dithiocarbamate group is reported via a one-pot three-component reaction of 2-(alkylthio) thioazlactones, diamines and nitro ketene dithioacetal in EtOH under catalyst-free conditions. The reaction proceeds via a domino amidation/intramolecular 1,4-addition-type Friedel-Crafts alkylation reaction to afford the corresponding fused bicyclic pyridones with high yields and diastereselectively. The desired products are fully characterized by FT-IR, 1H and 13CNMR, CHN and single crystal X-ray diffraction analyses.

scholarly journals Ag2O/GO/TiO2 Composite Nanostructure: An Efficient Heterogeneous Catalyst for one Pot Synthesis of Bis (Dihydropyrimidinone) and Tetrahydro-4H-chromenes Derivatives

2020 ◽  
Author(s):  
Fatemeh Samandi Zadeh ◽  
Mohammad Kazem Mohammadi ◽  
Ayeh Rayatzadeh ◽  
Neda Hasanzadeh
Keyword(s):  
Condensation Reaction ◽  
Aromatic Aldehydes ◽  
Synthesis Methods ◽  
X Ray Diffraction ◽  
One Pot ◽  
Transmission Electron ◽  
One Pot Condensation ◽  
Effective Synthesis ◽  
Ft Ir ◽  
Biginelli Condensation

Abstract The simple and efficient synthesis reaction was used for preparing Bis (dihydropyrimidinone) derivatives through Biginelli condensation reaction of terephthalic aldehyde, 1, 3-dicarbonyl compounds and (thio) urea or guanidine and tetrahydro-4H-chromenes via one pot condensation of aromatic aldehydes, malononitrile and dimedone with Ag2O/GO/TiO2 composite nanostructures as a catalyst. The structural functionalities and morphological observations of catalyst were obtained using characterization techniques of field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), Fourier transfer infrared (FT-IR) spectroscopy and transmission electron microscope (TEM). The structures of Bis (dihydropyrimidinone) and tetrahydro-4H-chromenes confirmed by FT- IR, NMR and mass spectroscopy. Excellent yields of the products, simple reaction process and simple work-up are attractive features of these effective synthesis methods.

scholarly journals H3PW12O40 Anchored on the Three-Dimensional and Networked SBA-15 as an Efficient and Recyclable Catalyst for Mannich Reaction

2019 ◽  
Vol 64 (1) ◽  
Author(s):  
Tengfei Zhang ◽  
Wei Zhang ◽  
Hao Dong ◽  
Qing Liu
Keyword(s):  
Mannich Reaction ◽  
Three Dimensional ◽  
Impregnation Method ◽  
X Ray Diffraction ◽  
Reaction Conditions ◽  
One Pot ◽  
Solvent Free Condition ◽  
Transmission Electron ◽  
Ft Ir ◽  
The One

Abstract. The three-dimensional and networked SBA-15 (3D-SBA-15) supported phosphotungstic acid (PW) was used as heterogeneous catalyst for the one-pot three-components Mannich reaction at room temperature. The H3PW12O40/3D-SBA-15 catalyst was prepared using an impregnation method and confirmed by series of characterizations such as Fourier-transform infrared spectra (FT-IR), scanning electron microscope (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), N2 physisorption and thermogravimetric (TG) analysis. 50PW/3D-SBA-15 catalyst with H3PW12O40 loading of 50 wt% showed the highest yield of 93% in 1.8 h for the Mannich reaction of benzaldehyde, aniline and acetophenone under solvent-free condition. A series of β-aminoketone derivatives were synthesized successfully in the presence of this catalyst. In addition, H3PW12O40/3D-SBA-15 catalyst can be easily recovered and reused four times without significant decrease of the activity. This work provides an improved modification of the three-component Mannich reaction in terms of mild reaction conditions, clean reaction profiles, small quantity of catalyst and a simple workup procedure.                                                Resumen.  El ácido fosfotungstico (PW) se soportó en sílice SBA-15 (3D-SBA-15) y se usó como catalizador heterogéneo en la reacción de Mannich en un solo paso de tres componentes a temperatura ambiente. El catalizador H3PW12O40/3D-SBA-15 se preparó mediante impregnación y se caracterizó por espectroscopia de infrarrojo (FT-IR), microscopia electrónica de barrido (SEM), microscopía electrónica de transmisión (TEM), difracción de rayos-X (XRD), fisisorción de N2 y análisis termogravimétrico (TG). El catalizador 50PW/3D-SBA-15, con una carga de H3PW12O40 del 50% en peso, mostró el rendimiento más alto del 93% en 1.8 h para la reacción de Mannich entre benzaldehído, anilina y acetofenona, sin disolvente. Se sintetizó una serie de derivados de β-aminocetona en presencia de este catalizador. Además, el catalizador H3PW12O40/3D-SBA-15 puede recuperarse fácilmente y reutilizarse cuatro veces sin pérdida significativa de la actividad. Este trabajo reporta una modificación de la reacción de Mannich de tres componentes bajo condiciones de reacción suaves, perfiles de reacción limpios, pequeña cantidad de catalizador y un procedimiento de tratamiento simple.

scholarly journals Synthesis and Electrochemistry of New Furylpyrazolino[60]fullerene Derivatives by Efficient Microwave Radiation

Molecules ◽  
2019 ◽  
Vol 24 (24) ◽  
pp. 4435
Author(s):  
Hamad M. Al-Matar ◽  
Mohammad H. BinSabt ◽  
Mona A. Shalaby
Keyword(s):  
Fluorescence Spectra ◽  
Fast Atom Bombardment ◽  
Photophysical Properties ◽  
Cycloaddition Reaction ◽  
X Ray Diffraction ◽  
One Pot ◽  
Fullerene Derivatives ◽  
Structural Identity ◽  
Ft Ir ◽  
New Compounds

Efficient one-pot synthesis of new series of furylpyrazolino[60]fullerene derivatives was prepared by [3 + 2] cycloaddition reaction mediated with (diacetoxyiodo)benzene (PhI(OAc)2) as an oxidant in o-dichlorobenzene (ODCB) under microwave irradiation. Different techniques have been used to confirm the structural identity including FT-IR, fast atom bombardment (FAB)-mass, NMR, and single-crystal X-ray diffraction, in addition to investigating the photophysical properties and the electrochemical properties for the new compounds using UV-Vis spectra, fluorescence spectra, cyclic voltammetry, and square wave voltammetry. Three of these pyrazolino[60]fullerene compounds showed better electron affinity than the parent C60 in the ground state.

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