Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 18 de 18
Filtrar
Más filtros












Base de datos
Intervalo de año de publicación
1.
Sci Rep ; 14(1): 11944, 2024 May 24.
Artículo en Inglés | MEDLINE | ID: mdl-38789541

RESUMEN

Copper can be susceptible to corrosion in acidic cleaning solutions for desalination system, especially if the solution is highly concentrated or if the cleaning process involves extended exposure to the acid. In the current work, Aloe ferox Mill (AFM extract) can be used as a natural origin corrosion inhibitor for copper in 1.0 M HCl solution. The corrosion mitigation qualities of AFM extract were assessed by means of electrochemical, gravimetric, and surface examinations. AFM extract is a mixed-type inhibitor, based on polarization research findings. The inhibitory effectiveness of AFM extract rises with concentration, reaching its maximum level (93.3%) at 250 mg L-1. The inclusion of AFM extract raises the activation energy for the corrosion reaction from 7.15 kJ mol-1 (blank solution) to 28.6 kJ mol-1 (at 250 mg L-1 AFM extract).

2.
Heliyon ; 10(7): e28622, 2024 Apr 15.
Artículo en Inglés | MEDLINE | ID: mdl-38689963

RESUMEN

To eliminate the hazardous pesticide 2,4-dichlorophenylacetic acid (2,4-D) through aqueous solutions, stacked nanorods known as hetero bimetallic organic frameworks (MOFs) of 2-methyl imidazole based on lanthanum and zinc are created. The research's convincing discoveries displayed that La/Zn-MOF is an actual adsorbent for the removal of 2,4-D through aqueous solutions. The La/Zn-MOF was investigated using a variability of techniques, with scanning electron microscope (SEM), powered X-ray diffraction (PXRD), and Brunauer-Emmett-Teller (BET) investigation. La/Zn-MOF has a significant pore capacity of 1.04 cm³/g and a comparatively large surface area of 897.69 m2/g. Our findings, which are quite intriguing, demonstrate that adsorption behavior is pointedly wedged by variations in pH. A pH 6 dose of 0.02 g was shown to be the optimal setting for the greatest capacity for adsorption. Because adsorption is an endothermic process, temperature variations affect its capability. The adsorption method was fit both isothermally and kinetically using the Langmuir isotherm classical. It was created that the entire process made use of a chemisorption mechanism. Solution pH, temperature, adsorbent dosage, and time were all improved using the Box-Behnken design (BBD) and Response Surface Methodology (RSM). We were able to accurately calculate the values of ΔHo, ΔSo, and ΔGo for 2,4-D by following the guidelines. These results demonstrated the spontaneous and endothermic character of the adsorption procedure employing La/Zn-MOF as an adsorbent. Adsorption-desorption cycles can be carried out up to five times. With the synthesized La/Zn-MOF adsorbent due to its exceptional reusability. Many processes, such π-π interaction, pore filling, H-bonding, or electrostatic contact, were postulated to explain the connection between La/Zn-MOF and 2,4-D after extra research to appreciate well the link was conducted. This is the first study to demonstrate the effectiveness of utilizing La/Zn-MOF as an adsorbent to eliminate 2,4-D from wastewater models. The results display that a pH of 6 is required to achieve the maximal 2,4-D adsorption capability on La/Zn-MOF, which is 307.5 mg/g.

3.
Heliyon ; 10(3): e25065, 2024 Feb 15.
Artículo en Inglés | MEDLINE | ID: mdl-38317972

RESUMEN

In the recent past Metal-organic frameworks (MOFs) based thin films have demonstrated superior performance in various technological applications such as optical and optoelectronic devices, electrochemical energy storage, catalysis, and sensing. Herein we report tuning the optical performance of stable complexes using Cu and Fe metal ions with carboxylate benzene dicarboxylic (BDC), leading toward the formation of novel MOF structures. The formation of Cu-BDC and Fe-BDC were confirmed by XRD and SEM studies. The thermal stability of two MOFs was investigated, indicating that, the Cu-BDC is more stable than Fe-BDC. Further, the optical properties were investigated in the wavelength range 325-1100 nm, and the Fe-BDC exhibited greater optical transmission properties than Cu-BDC by 33 %, as investigated by Wemple-DiDomenico and Tauc models. The dispersion parameters related to optical studies for Cu-BDC were better in comparison to Fe-BDC, which could be attributed to the increase in Cu valence electrons due to an increase in the number of cations. The electrochemical behavior in terms of CV measurements shows the presence of pseudo capacitance in both Fe-BDC and Cu-BDC MOFs. The improved CV performance of Cu-BDC MOF suggests that it could be used as a storage material. This work successfully demonstrates the tailoring of optical properties related to MOF thin films through the formation of stable complexes using BDC as a potential material for the fabrication of OLED's and Solar cells. The improved CV performance suggests that these MOF based materials could be used as anodes in fabrication of batteries or supercapacitors.

4.
Int J Biol Macromol ; 259(Pt 2): 129282, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38199550

RESUMEN

The objective of this research was to develop a novel adsorbent to eliminate mercury (Hg(II)) from water. A unique citrate-crosslinked La-MOF/citrate crosslinked chitosan composite sponge (La-MOF@CSC composite sponge) was successfully synthesized in an acidic environment using a one-step technique. Modifying the composition of adsorbent materials is a commonly employed strategy to enhance adsorption capacity, particularly for materials composed of metal-organic frameworks. The study investigated the impact of the composite sponge on the adsorption and removal of Hg(II). The composite sponge exhibited a maximum adsorption capacity (qmax) for Hg(II) at 765.22 mg/g and an impressive high surface area of 1208 m2/g. Various factors influencing the adsorption capacity were taken into account in this study. The adsorption isotherm and kinetics were modeled using Langmuir and pseudo-second-order equations, respectively. Consistent with thermodynamics, the adsorption process was identified as spontaneous and endothermic. The quantities of adsorbed substances increased with rising temperature. The La-MOF@CSC composite sponge demonstrated the ability to be reused up to five times with satisfactory efficiency, retaining its chemical composition and exhibiting similar XRD and XPS data before and after each reuse. The interaction between heavy metals and the La-MOF/CSC composite sponge was examined. Optimization of the adsorption outcomes was conducted using the Box-Behnken design (BBD).


Asunto(s)
Quitosano , Mercurio , Estructuras Metalorgánicas , Contaminantes Químicos del Agua , Quitosano/química , Adsorción , Mercurio/análisis , Cinética , Citratos , Contaminantes Químicos del Agua/química , Concentración de Iones de Hidrógeno
5.
Int J Biol Macromol ; 259(Pt 1): 129065, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38161030

RESUMEN

There are a number of drawbacks with photochromic adhesives, including their poor durability, high price tag, and lackluster performance. On the other hand, self-healable adhesives have shown to be durable and robust than conventional alternatives. Hydrogel adhesives that change color in response to ultraviolet light were created for usage in self-healable authenticating stamps. In this context, a combination of cellulose nanofibers (CNFs), polylactic acid (PLA) and nanoparticles of lanthanide aluminate (NLA) were prepared to generate an organic-inorganic hybrid hydrogel adhesive with self-healing properties. NLA agglomerates were avoided due to the use of CNFs as a nanofiller and dispersion agent. Colorless stamps require that NLA to be dispersed consistently in the CNFs/PLA hydrogel without clumping. This film becomes green when irradiated with ultraviolet, as indicated by luminescence spectra and CIE Lab coordinates. When illuminated at 365 nm, the paper sheets emitted light with a wavelength of 519 nm. The morphologies of prints were analyzed by different analytical methods. Diameter measurements from a transmission electron microscope (TEM) of the synthesized NLA ranged from 5 to 9 nm, whereas CNFs displayed diameters of 40-60 nm. The current NLA@CNFs/PLA hydrogel presents a reliable anti-counterfeiting solution for various authenticating products.


Asunto(s)
Elementos de la Serie de los Lantanoides , Nanofibras , Celulosa , Adhesivos , Poliésteres , Hidrogeles
6.
J Biomol Struct Dyn ; : 1-13, 2023 Nov 14.
Artículo en Inglés | MEDLINE | ID: mdl-37962847

RESUMEN

Preparation, characterization, and investigation of a novel organic charge transfer (CT) complex were carried out, with a focus on exploring its antibacterial and antifungal characteristics. Theoretical analysis backs up the experimental findings. CT complex formed was synthesized between 8-hydroxyquinoline (8HQ) and oxalic acid (OA) at RT (room temperature). Different analyses were used to describe the CT complex, including 1H-NMR, FTIR, TGA/DTA, and UV-vis spectra (in different solvents). These indicate that the CT interaction is linked to proton transfer from OA to 8HQ and the subsequent development of 'N+__H…O-" type bonding. On the basis of wave number, the CT complex and reactants are distinguished in FTIR spectra. By using Thermo gravimetric Analysis/Differential Thermal Analysis (TGA/DTA) tests, the thermal stability of complicated and thorough corrosion was examined. Through UV-visible spectroscopy, physical characteristics like ECT (interaction energy), RN (resonance energy), ID (ionization potential), f (oscillator strength) and ΔG (free energy) were calculated. The εCT (molar extinction coefficient), the KCT (formation constant), and additional physical properties of this complex were calculated by the Benesi-Hildebrand equation in order to determine its 1:1 stoichiometry. The biological properties are also supported by theoretical study. The protein, Human Serum Albumin (HSA), is observed to bind with CT complex, as shown by molecular docking and the observed binding energy value is -167.04 kcal/mol. Molecular dynamics (MD) simulation 100 ns run was used to refine docking results and binding free energy was calculated using MM-PBSA. This study introduces a novel CT complex, offering fresh perspectives on molecular interactions.Communicated by Ramaswamy H. Sarma.

7.
ACS Omega ; 8(33): 30374-30388, 2023 Aug 22.
Artículo en Inglés | MEDLINE | ID: mdl-37636940

RESUMEN

This study looked at the doxorubicin hydrochloride (DOX) anticancer drug's adsorption characteristics on a silver-based metal-organic framework (Ag-MOF). X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS) were used for the characterization of Ag-MOF. The pore volume and surface area of Ag-MOF were determined through Brunauer-Emmett-Teller (BET) testing at 77 K to be 0.509 cm3/g and 676.059 m2/g, respectively. Adsorption at pH 6 was established to be the best for DOX compared to alkaline solution. Ag-MOF has a good capacity for eliminating DOX (1.85 mmol/g), according to adsorption experiments. From the adsorption results, we can find that Langmuir is the most fitted adsorption isotherm model and the pseudo-second order model best fitted the adsorption kinetics. The energy of activation for adsorption, which was determined to be 15.23 kJ/mol, also supported a chemisorption process. The mechanism of adsorption was evaluated, and details of all possible interactions between DOX and Ag-MOF were illustrated. On the other hand, while examining the impact of temperature, we identified the thermodynamic constraints as ΔG°, ΔH°, and ΔS° and confirmed that the reaction was an endothermic one and spontaneous. Even after numerous reuse cycles, the efficiency remained constant. The synthetic adsorbent was remarkably recyclable at a rate of more than 91.6%. By using the MTT assay, the cytotoxicity of the tested Ag-MOF and DOX@Ag-MOF against human breast cancer cells (MCF-7) was evaluated in vitro. The in vitro antimicrobial activity of Ag-MOF and DOX@Ag-MOF was also tested.

8.
Int J Biol Macromol ; 251: 126318, 2023 Aug 12.
Artículo en Inglés | MEDLINE | ID: mdl-37579903

RESUMEN

Targeting the remediation of oil pollution in water, the construction of super magnetic adsorbent nanocomposites (NCs) was achieved using the nanoparticles of chitosan (Cht), lignin (Lg) and phycosynthesized iron nanoparticles (Fe MNPs) using Gelidium amansii extract. The syntheses and conjugations of nanomaterials were authenticated via infrared spectral analysis and the structural physiognomies of them were appraised via electron microscopy and zeta analysis. The Lg NPs, Cht NPs, Fe MNPs and their composites (Lg/Cht MNCs) had mean particles' sizes of 42.3, 76.4, 14.2 and 108.3 nm, and were charged with - 32.7, + 41.2, + 28.4 and +37.5 mV, respectively. The magnetometer revealed the high magnetic properties of both Fe MNPs and Lg/Cht MNCs; the maximum swelling of Lg/Cht NPs (46.3 %), and Lg/Cht MNPs (33.8 %) was detected after 175 min. The diesel oil adsorption experiments with Lg/Cht MNPs, using batch adsorption practices, revealed the powerful potentiality of magnetic NCs to remove oil pollution in water; the maximum adsorption capacity (qt) was achieved with the conditions of pH = 7.5, adsorption period = 90 min and adsorbent dose = 200 mg/L. The magnetic Lg/Cht MNCs exhibited excellent recovery/reusability attributes for five adsorption cycles; the qt differences were negligible after the entire oil-adsorption cycles, with oil removal of >90 %. The innovative fabricated Lg/Cht MNCs could provide an effectual, sustainable and eco-friendly approach for the removal of pollutant oil in water resources.

9.
Int J Biol Macromol ; 235: 123704, 2023 Apr 30.
Artículo en Inglés | MEDLINE | ID: mdl-36801282

RESUMEN

Different physical and chemical techniques could be used to prepare chitosan/Silver nanoparticle (CHS/AgNPs) nanocomposite. The microwave heating reactor was rationally adopted as a benign tool for preparing CHS/AgNPs owing to less energy consumption and shorter time required for completing the nucleation and growth particles. UV-Vis, FTIR, and XRD, provided conclusive evidence of the AgNPs creation, while TEM micrographs elucidated that the size was spherical (20 nm). CHS/AgNPs were embedded in polyethylene oxide (PEO) nanofiber via electrospinning, and their biological properties, cytotoxicity evaluation, antioxidant, and antibacterial activity assays were investigated. The generated nanofibers have mean diameters of 130.9 ± 9.5, 168.7 ± 18.8, and 186.8 ± 8.19 nm for PEO, PEO/ CHS, and PEO/ CHS (AgNPs), respectively. Because of the tiny AgNPs particle size loaded in PEO/CHS (AgNPs) fabricated nanofiber, good antibacterial activity with ZOI against E. coli was 51.2 ± 3.2, and S. aureus was 47.2 ± 2.1 for PEO/ CHS (AgNPs) nanofibers. Non-toxicity was observed against Human Skin Fibroblast and Keratinocytes cell lines (>93.5 %), which justifies its great antibacterial potential to remove or prevent infection in wounds with fewer adverse effects.


Asunto(s)
Quitosano , Nanopartículas del Metal , Nanofibras , Humanos , Antioxidantes/farmacología , Staphylococcus aureus , Quitosano/química , Nanofibras/química , Nanopartículas del Metal/química , Plata/química , Polietilenglicoles/química , Escherichia coli , Microondas , Antibacterianos/farmacología , Antibacterianos/química , Cicatrización de Heridas
10.
ACS Omega ; 8(1): 1683-1692, 2023 Jan 10.
Artículo en Inglés | MEDLINE | ID: mdl-36643554

RESUMEN

Alkaline earth aluminates (AEAs) as photoluminescent agents and silicon dioxide-based electrospun glass nanofibers with an average diameter of 150-450 nm as a roughening agent were prepared and applied to reinforce an epoxy resin toward the development of long-persistent photoluminescent and photochromic smart materials, such as smart windows and anticounterfeiting barcodes. With the physical immobilization of lanthanide-doped aluminate nanoparticles (NPs), a light-induced luminescent transparent glass@epoxy film was developed. The glass@epoxy samples were able to alter their color to green beneath ultraviolet rays and greenish-yellow in the dark, as explored by CIE Lab and luminescence spectral analyses. The morphology of the lanthanide-doped aluminate nanoparticles (43-98 nm) was examined by transmission electron microscopy (TEM). The morphologies and chemical composition of the luminescent glass@epoxy substrates were determined by different analytical techniques. The mechanical properties of the developed photoluminescent glass@epoxy substrates were inspected to show improved scratch resistance as compared to the AEA-free substrate. The photoluminescence spectra were measured to indicate the detection of two emission bands at 494 and 525 nm when excited at 365 nm. The photoluminescent glass@epoxy hybrids with lower AEA contents have showed fast reversibility of photochromism. On the other hand, the glass@epoxy substrates with higher phosphor contents underwent persistent luminescence. Results showed that the luminescent colorless glass@epoxy hybrids have enhanced superhydrophobicity and ultraviolet blocking.

11.
ACS Omega ; 8(51): 49009-49016, 2023 Dec 26.
Artículo en Inglés | MEDLINE | ID: mdl-38162794

RESUMEN

The new cationic surfactant-based azo Schiff compound (azoS8) was prepared, characterized, and investigated as a corrosion inhibitor for carbon steel in 1 M HCl by means of electrochemical approaches in this study. The chemical structure of azoS8 has been verified by the FTIR and 1H NMR spectra. According to the electrochemical system, the examined surfactant is a mixed-type inhibitor. The surfactant azoS8 was an adequate corrosion inhibitor, as evidenced by the reduction in corrosion current densities and the rise in coverage of the surface identified with an evolving inhibitor amount. When the surfactant azoS8 had been added, the capacitive cycle loops on the Nyquist plots were broader, and the dimension of these loops expanded with surfactant azoS8 concentration. This implies that the amount of surfactant azoS8 led to an improvement in the impedance of the steel electrode. The surfactant azoS8 adsorption system is well suited to the Langmuir adsorption isotherm. It was discovered that azoS8 had a Gibbs free energy change value of -27.72 kJ mol-1, which is a mixed adsorption mechanism containing both physisorption and chemisorption.

13.
Membranes (Basel) ; 12(2)2022 Feb 15.
Artículo en Inglés | MEDLINE | ID: mdl-35207145

RESUMEN

Water scarcity has become one of the most significant problems globally. Membrane technology has gained considerable attention in water treatment technologies. Polymeric nanocomposite membranes are based on several properties, with enhanced water flux, high hydrophilicity and anti-biofouling behavior, improving the membrane performance, flexibility, cost-effectiveness and excellent separation properties. In this study, aminated graphene oxide (NH2-GO)-based PVDF membranes were fabricated using a phase-inversion method for textile dye removal. These fabricated membranes showed the highest water flux at about 170.2 (J/L.h-1.m-2) and 98.2% BSA rejection. Moreover, these membranes removed about 96.6% and 88.5% of methylene blue and methyl orange, respectively. Aminated graphene oxide-based polyvinylidene fluoride (PVDF) membranes emerge as a good membrane material that enhances the membrane performance.

14.
Gels ; 8(1)2022 Jan 06.
Artículo en Inglés | MEDLINE | ID: mdl-35049577

RESUMEN

Ultrasound imaging is a widely used technique in every health care center and hospital. Ultrasound gel is used as a coupling medium in all ultrasound procedures to replace air between the transducer and the patient's skin, as ultrasound waves have trouble in traveling through air. This research was performed to formulate an inexpensive alternative to commercially available ultrasound gel as it is expensive and imported from other countries. Different formulations with different concentrations of carbopol 980 (CAR 980) and methylparaben were prepared with natural ingredients such as aloe vera gel and certain available chemicals that have no harmful effects on the skin. To justify the efficiency of the formulations; necessary physicochemical characteristics such as visual clarity, homogeneity, transparency, skin irritation, antibacterial activity, pH, stability, spreadability, conductivity, acoustic impedance, viscosity, and cost were evaluated. Moreover, a comparison study was also conducted with commercially available ultrasound gel that was utilized as a control. All samples showed excellent transparency and no microbial growth. S1 was the only formulation that met all of the requirements for commercial ultrasound gel and produced images that were similar to those produced by commercial ultrasound gel. So, this formulation could be used as an alternative to expensive commercial ultrasound gel for taking images in hospitals and medical centers.

15.
Heliyon ; 7(11): e08485, 2021 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-34901511

RESUMEN

New pyrazole derivatives were prepared and used to synthesize new bioactive agents from Cu(II) complexes that have OSN donors. Analytical and spectral (IR, UV-Vis, MS, 1H NMR, ESR & XRD) instruments characterized these complexes as well as their corresponding ligands. The bonding mode has been modified from ligand to ligand and the molar ratio for isolated complexes has also varied (1:1/1:2, M:L). The geometry of isolated complexes was commonly proposed, based on electronic transitions and ESR spectral-parameters. Via computational approaches, these structures were optimized using standard programs (Gaussian 09 & HyperChem 8.1) under the required basis set. Consequently, important physical characteristics have been obtained after finishing the optimization process. Inhibition behavior of all new synthesizes was studied by MOE module as in-silico approach which conducted versus the crystal structure of NUDT5 protein (6gru) of breast cancer cells. The interaction features summarized from docking processes, reveal effective inhibition validity for new Cu(II) complexes versus breast cancer cells. This according to scoring energy values and the stability of docking complexes in true interaction path (bond length ≤3.5 Å) particularly with Cu(II)-L3 and Cu(II)-L4 complexes. This reflects the possibility of successful behavior during practical application through in-vitro assay that intended in this study. Finally, the degree of toxicity of such new compounds to the breast cancer cell line was determined by in-vitro screening. To judge perfectly on their toxicity, in-vitro screening must compared to positive control as Doxorubicin (reference drug). IC50 values were calculated and represent Cu(II) complexes as outstanding cytotoxic agents which revealed superiority on the reference drug itself.

16.
Polymers (Basel) ; 13(15)2021 07 28.
Artículo en Inglés | MEDLINE | ID: mdl-34372084

RESUMEN

Biopolymers and nanomaterials are ideal candidates for environmental remediation and heavy metal removal. As hexavalent chromium (Cr6+) is a hazardous toxic pollutant of water, this study innovatively aimed to synthesize nanopolymer composites and load them with phycosynthesized Fe nanoparticles for the full Cr6+ removal from aqueous solutions. The extraction of chitosan (Cht) from prawn shells and alginate (Alg) from brown seaweed (Sargassum linifolium) was achieved with standard characteristics. The tow biopolymers were combined and cross-linked (via microemulsion protocol) to generate nanoparticles from their composites (Cht/Alg NPs), which had a mean diameter of 311.2 nm and were negatively charged (-23.2 mV). The phycosynthesis of iron nanoparticles (Fe-NPs) was additionally attained using S. linifolium extract (SE), and the Fe-NPs had semispherical shapes with a 21.4 nm mean diameter. The conjugation of Cht/Alg NPs with SE-phycosynthesized Fe-NPs resulted in homogenous distribution and stabilization of metal NPs within the polymer nanocomposites. Both nanocomposites exhibited high efficiency as adsorbents for Cr6+ at diverse conditions (e.g., pH, adsorbent dose, contact time and initial ion concentration) using batch adsorption evaluation; the most effectual conditions for adsorption were a pH value of 5.0, adsorbent dose of 4 g/L, contact time of 210 min and initial Cr6+ concentration of 75 ppm. These factors could result in full removal of Cr6+ from batch experiments. The composited nanopolymers (Cht/Alg NPs) incorporated with SE-phycosynthesized Fe-NPs are strongly recommended for complete removal of Cr6+ from aqueous environments.

17.
J Mol Struct ; 1244: 130961, 2021 Nov 15.
Artículo en Inglés | MEDLINE | ID: mdl-34188314

RESUMEN

Two thiazole-based complexes were prepared from Co(II) and Cu(II) ions. The new ligand and its complexes were fully characterized by analytical and spectral techniques. The ligand behaved as a neutral tridentate in its keto-form towards the metals via O(8), O(10) and O(18) atoms. This was suggested based on the lower shift of υ(CH[bond, double bond]O), υ(C[bond, double bond]O)amide and υ(C-O) vibrations. The electronic transitions in Co(II)-HL and Cu(II)-HL complexes displayed d-d- transitions which belong to 4T1g→4A2g(F) & 4T1g(F)→4T1g (P) and 2Eg →2T2g, in the two complexes, respectively. ESR spectrum of Cu(II)-HL complex displayed g-factor by the following order; g//(2.1740)>g⊥(2.0935)>2.0023, which agrees with octahedral geometry. The geometry optimization was executed by DFT/B3LYP method under valence double zeta polarized basis set (6-31G*), to confirm the structural forms and the mode of bonding. The orientation and the charges of O(8), O(10) and O(18) atoms, support the coordination of the ligand in its keto-form with the metal ions. Pharmacophore profiles were obtained regarding thiazole ligand and other recommended drugs (arbidol, avigan and idoxuridine) that used in treatment protocol of COVID-19 pandemic. Also, query was run in MolPort-library to obtain antiviral analogues, to broaden the search for an effective treatment. Three analogues were obtained for arbidol, avigan and idoxuridine drugs, which have the following numbers; MolPort-047-605-644, MolPort-004-768-508 and MolPort-028-750-709, respectively. Moreover, molecular docking was carried out to obtain all interaction details and rank the efficiency of thiazole compound versus the three antivirals in their interaction with the two COVID-19 proteins. The outcomes suggested the significant antiviral activity of idoxuridine and thiazole (enol-form), which not reach to eliminate the pandemic exactly. While, arbidol and avigan did not have an effective antiviral role, although they still used in COVID-19 treatment protocol.

18.
RSC Adv ; 10(37): 21806-21821, 2020 Jun 08.
Artículo en Inglés | MEDLINE | ID: mdl-35516643

RESUMEN

A new N3S2 pentadentate Schiff base ligand derived from 5-bromothiophene-2-carbaldehyde, (E)-N1-((5-bromothiophen-2-yl)methylene)-N2-(2-((E)-((5-bromothiophen-2-yl)-methylene amino) ethyl ethane-1,2-diamine, is prepared. The ligand and its complexes are subjected to extensive physical and theoretical analyses and the results are consistent with their predicted compositions. Dicationic Cu(ii) complexes ([CuN3S2]X2) with a coordination number of 5 are proposed on the basis of the spectral data with N3S2 serving as a pentadentate ligand. The prepared complexes display a square pyramidal geometry around the Cu(ii) center. TG shows different thermal behavior for the N3S2 ligand and its complexes. Solvatochromism of the complexes is promoted by the polarity of the solvent used. A one-electron transfer Cu(ii)/Cu(i) reversible redox reaction is promoted by CV. SEM and EDS of the free ligand and its complexes support the morphology and composition changes observed upon the complexation of Cu(ii). As an outstanding goal to develop anticancer new metal chemotherapy, preliminary studies of the binding of the desired complexes with DNA were carried out, as it is through judging the strength of interactions that a future drug can be designed and synthesized. The viscosity and absorption results obtained for complex 1 indicated its enhanced CT-DNA binding properties as compared to those of complex 2 with K b values of 3.2 × 105 and 2.5 × 105 M-1, respectively.

SELECCIÓN DE REFERENCIAS
DETALLE DE LA BÚSQUEDA
...