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1.
Heliyon ; 10(1): e23222, 2024 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-38163229

RESUMO

The ongoing challenge of managing coronaviruses, particularly SARS-CoV-2, necessitates the development of effective antiviral agents. This study introduces Lactulose octasulfate (LOS), a sulfated disaccharide, demonstrating significant antiviral activity against key coronaviruses including SARS-CoV-2, SARS-CoV, and MERS-CoV. We hypothesize LOS operates extracellularly, targeting the ACE2-S-protein axis, due to its low cellular permeability. Our investigation combines biolayer interferometry (BLI), isothermal titration calorimetry (ITC)-based experiments with in silico studies, revealing LOS's ability to reduce SARS-CoV-2's RBD's affinity for ACE2 in a dose-dependent manner, and bind tightly to ACE2 without inhibiting its enzymatic activity. Gaussian accelerated molecular dynamics simulations (GaMD) further supported these findings, illustrating LOS's potential as a broad-spectrum antiviral agent against current and future coronavirus strains, meriting in vivo and clinical exploration.

2.
Nanomaterials (Basel) ; 13(19)2023 Sep 26.
Artigo em Inglês | MEDLINE | ID: mdl-37836284

RESUMO

Energy storage applications received great attention due to environmental aspects. A green method was used to prepare a composite of nickel-iron-based spinel oxide nanoparticle@CNT. The prepared materials were characterized by different analytical methods like X-ray diffraction, X-ray photon spectroscopy (XPS), scanning electron microscopy (SEM), and transmitted electron microscopy (TEM). The synergistic effect between nickel-iron oxide and carbon nanotubes was characterized using different electrochemical methods like cyclic voltammetry (CV), galvanostatic charging/discharging (GCD), and electrochemical impedance spectroscopy (EIS). The capacitances of the pristine NiFe2O4 and NiFe2O4@CNT were studied in different electrolyte concentrations. The effect of OH- concentrations was studied for modified and non-modified surfaces. Furthermore, the specific capacitance was estimated for pristine and modified NiFe2O4 at a wide current range (5 to 17 A g-1). Thus, the durability of different surfaces after 2000 cycles was studied, and the capacitance retention was estimated as 78.8 and 90.1% for pristine and modified NiFe2O4. On the other hand, the capacitance rate capability was observed as 65.1% (5 to 17 A g-1) and 62.4% (5 to 17 A g-1) for NiFe2O4 and NiFe2O4@CNT electrodes.

3.
Int J Biol Macromol ; 248: 125818, 2023 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-37473891

RESUMO

The present study aimed to characterize the possible binding sites on the SARS CoV-2 RBD-ACE2 complex and to highlight sulfated oligosaccharides as potential anti-SARS CoV-2 via inducing RBD-ACE2 complex destabilization and dissociation. By combining pharmacophore-based and structural-based virtual screening approaches we were able to discover raffinose sulfate (RS) as a potential antiviral sulfated oligosaccharide against two SARS CoV-2 variants (i.e., wild type and Omicron) (IC50 = 4.45 ± 0.28 µM and 4.65 ± 0.32 µM, respectively). Upon MD simulation, RS was able to establish stable binding at the RBD-ACE2 interface inducing a rapid dissociation. Accordingly, and by using bio-layer interferometry (BLI) assays, RS was able to significantly weaken the affinity between RBD (of both variants) and ACE2. Additionally, we found that RS has a poor cellular permeability indicating that its interaction with the RBD-ACE2 complex may be the main mechanism by which it mediates its antiviral activity against SARS CoV-2. Despite its proposed interaction with the RBD-ACE2 complex, RS did not show any inhibitory activity against ACE2 catalytic activity. In light of these findings, the RS scaffold can be further developed into a novel anti-SARS CoV-2 drug with improved activity and tolerability in comparison with other sulfated polysaccharides e.g., heparin and heparan.


Assuntos
Enzima de Conversão de Angiotensina 2 , COVID-19 , Humanos , Rafinose , Sulfatos , Antivirais/farmacologia , Ligação Proteica
4.
Polymers (Basel) ; 15(14)2023 Jul 16.
Artigo em Inglês | MEDLINE | ID: mdl-37514447

RESUMO

Currently, wastewater containing high urea levels poses a significant risk to human health. Else, electrocatalytic methodologies have the potential to transform urea present in urea-rich wastewater into hydrogen, thereby contributing towards environmental conservation and facilitating the production of sustainable energy. The characterization of the NiCo2O4@chitosan catalyst was performed by various analytical techniques, including scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Furthermore, the activity of electrodes toward urea removal was investigated by several electrochemical techniques. As a function of current density, the performance of the modified NiCo2O4@chitosan surface was employed to remove urea using electrochemical oxidation. Consequently, the current density measurement was 43 mA cm-2 in a solution of 1.0 M urea and 1.0 M KOH. Different kinetic characteristics were investigated, including charge transfer coefficient (α), Tafel slope (29 mV dec-1), diffusion coefficient (1.87 × 10-5 cm2 s-1), and surface coverage 4.29 × 10-9 mol cm-2. The electrode showed high stability whereas it lost 10.4% of its initial current after 5 h of urea oxidation.

5.
Micromachines (Basel) ; 14(6)2023 06 04.
Artigo em Inglês | MEDLINE | ID: mdl-37374780

RESUMO

A polymeric nanocomposite film, composed of PMMA/PVDF and different amounts of CuO NPs, was successfully prepared using the casting method to enhance its electrical conductivity. Various techniques were employed to investigate their physicochemical properties. The addition of CuO NPs causes a noticeable difference in the intensities and locations of vibrational peaks in all bands, confirming the incorporation of CuO NPs inside the PVDF/PMMA. In addition, the broadening of the peak at 2θ = 20.6° becomes more intense with increasing amounts of CuO NPs, confirming the increase in the amorphous characteristic of PMMA/PVDF incorporated with CuO NPs in comparison with PMMA/PVDF. Furthermore, the image of the polymeric structure exhibits a smoother shape and interconnection of pore structure associated with spherical particles that agglomerate and give rise to a web-like organization that becomes a matrix. Increasing surface roughness is responsible for an increasing surface area. Moreover, the addition of CuO NPs in the PMMA/PVDF leads to a decrease in the energy band gap, and further increasing the additional amounts of CuO NPs causes the generation of localized states between the valence and conduction bands. Furthermore, the dielectric investigation shows an increase in the dielectric constant, dielectric loss, and electric conductivity, which may be an indication of an increase in the degree of disorder that confines the movement of charge carriers and demonstrates the creation of an interconnected percolating chain, enhancing its conductivity values compared with that without the incorporation of a matrix.

6.
Drug Dev Res ; 84(6): 1127-1141, 2023 09.
Artigo em Inglês | MEDLINE | ID: mdl-37170788

RESUMO

With the aim of developing cyclin-dependent kinase 2 (CDK2) inhibitors with strong antibreast cancer efficacy, new tricyclic and tetracyclic benzo[6,7]cycloheptane derivatives were synthesized. The newly synthesized tri- and tetracyclic derivatives were achieved from the reaction of 4-(4-morpholin-4-yl-phenyl)-1,3,4,5,6,7-hexahydro-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione (5) with α-haloketone derivatives as hydrazonyl chlorides, phenacyl bromide derivatives, chloroacetone, and ethyl substituted acetate derivatives. The MCF-7 and MDA-MB-231 breast cancer cell lines were utilized to examine the anticancer properties. Compounds 5 and 8 were shown to be the most effective, with half-maximal inhibitory concentration (IC50 ) values between 5.73 and 9.11 µM, which are on the level with doxorubicin. Mechanistic studies showed that 5 and 8 caused tumor cell death by inducing apoptosis and they also produced cancer arrest in the S phase of the cell cycle. In addition, compounds 5 and 8 showed strong anti-CDK2 action (IC50 = 0.112 and 0.18 µM, respectively) comparable to roscovitine (IC50 = 0.127 µM). Moreover, the docking result demonstrated that derivatives 5 and 8 fit into the CDK2 active site in the proper orientation.


Assuntos
Antineoplásicos , Estrutura Molecular , Antineoplásicos/química , Inibidores de Proteínas Quinases/farmacologia , Fosforilação , Morfolinas/farmacologia , Ensaios de Seleção de Medicamentos Antitumorais , Simulação de Acoplamento Molecular , Proliferação de Células , Relação Estrutura-Atividade , Linhagem Celular Tumoral , Apoptose
7.
RSC Adv ; 13(20): 13443-13455, 2023 May 02.
Artigo em Inglês | MEDLINE | ID: mdl-37152558

RESUMO

Catechol is a pollutant that can lead to serious health issues. Identification in aquatic environments is difficult. A highly specific, selective, and sensitive electrochemical biosensor based on a copper-polypyrrole composite and a glassy carbon electrode has been created for catechol detection. The novelty of this newly developed biosensor was tested using electrochemical techniques. The charge and mass transfer functions and partially reversible oxidation kinetics of catechol on the redesigned electrode surface were examined using electrochemical impedance spectroscopy and cyclic voltammetry scan rates. Using cyclic voltammetry, chronoamperometry, and differential pulse voltammetry, the characteristics of sensitivity (8.5699 µA cm-2), LOD (1.52 × 10-7 µM), LOQ (3.52 × 10-5 µM), linear range (0.02-2500 µM), specificity, interference, and real sample detection were investigated. The morphological, structural, and bonding characteristics were investigated using XRD, Raman, FTIR, and SEM. Using an oxidation-reduction technique, a suitable biosensor material was produced. In the presence of interfering compounds, it was shown that it was selective for catechol, like an enzyme.

8.
Polymers (Basel) ; 15(10)2023 May 18.
Artigo em Inglês | MEDLINE | ID: mdl-37242932

RESUMO

Nanoparticles of ZnO-Chitosan (Zn-Chit) composite were prepared using precipitation methods. Several analytical techniques, such as scanning electron microscope (SEM), transmitted electron microscope (TEM), powder X-ray diffraction (XRD), infrared spectroscopy (IR), and thermal analysis, were used to characterize the prepared composite. The activity of the modified composite was investigated for nitrite sensing and hydrogen production applications using various electrochemical techniques. A comparative study was performed for pristine ZnO and ZnO loaded on chitosan. The modified Zn-Chit has a linear range of detection 1-150 µM and a limit of detection (LOD) = 0.402 µM (response time ~3 s). The activity of the modified electrode was investigated in a real sample (milk). Furthermore, the anti-interference capability of the surface was utilized in the presence of several inorganic salts and organic additives. Additionally, Zn-Chit composite was employed as an efficient catalyst for hydrogen production in an acidic medium. Thus, the electrode showed long-term stability toward fuel production and enhanced energy security. The electrode reached a current density of 50 mA cm-2 at an overpotential equal to -0.31 and -0.2 V (vs. RHE) for GC/ZnO and GC/Zn-Chit, respectively. Electrode durability was studied for long-time constant potential chronoamperometry for 5 h. The electrodes lost 8% and 9% of the initial current for GC/ZnO and GC/Zn-Chit, respectively.

9.
Polymers (Basel) ; 15(7)2023 Apr 06.
Artigo em Inglês | MEDLINE | ID: mdl-37050419

RESUMO

A modified electrode with conducting polymer (Polyaniline) and NiO nanoflowers was prepared to detect nitrite ions in drinking water. A simple method was used to prepare the NiO nanoflower (NiOnF). Several techniques characterized the as-prepared NiOnF to determine the chemical structure and surface morphology of the NiO, such as XRD, XPS, FT-IR, and TGA. The activity of the electrode toward nitrite sensing was investigated over a wide range of pH (i.e., 2 to 10). The amperometry method was used to determine the linear detection range and limit. Accordingly, the modified electrode GC/PANI/NiOnf showed a linear range of detection at 0.1-1 µM and 1-500 µM. At the same time, the limit of detection (LOD) was 9.7 and 64 nM for low and high concentrations, respectively. Furthermore, the kinetic characteristics of nitrite, such as diffusion and transport coefficients, were investigated in various media. Moreover, the charge transfer resistance was utilized for nitrite electrooxidation in different pH values by the electrochemical impedance technique (EIS). The anti-interfering criteria of the modified surfaces were utilized in the existence of many interfering cations in water (e.g., K+, Na+, Cu2+, Zn2+, Ba2+, Ca2+, Cr2+, Cd2+, Pd2+). A real sample of the Nile River was spiked with nitrite to study the activity of the electrode in a real case sample (response time ~4 s). The interaction between nitrite ions and NiO{100} surface was studied using DFT calculations as a function of adsorption energy.

10.
PLoS One ; 18(3): e0282263, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36989283

RESUMO

COVID-19 caused by the SARS-CoV-2 virus is widespread in all regions, and it disturbs host immune system functioning leading to extreme inflammatory reaction and hyperactivation of the immune response. Kabasura Kudineer (KSK) is preventive medicine against viral infections and a potent immune booster for inflammation-related diseases. We hypothesize that KSK and KSK similar plant compounds, might prevent or control the COVID-19 infection in the human body. 1,207 KSK and KSK similar compounds were listed and screened via the Swiss ADME tool and PAINS Remover; 303 compounds were filtered including active and similar drug compounds. The targets were retrieved from similar drugs of the active compounds of KSK. Finally, 573 genes were listed after several screening steps. Next, network analysis was performed to finalize the potential target gene: construction of protein-protein interaction of 573 genes using STRING, identifying top hub genes in Cytoscape plug-ins (MCODE and cytoHubba). These ten hub genes play a crucial role in the inflammatory response. Target-miRNA interaction was also constructed using the miRNet tool to interpret miRNAs of the target genes and their functions. Functional annotation was done via DAVID to gain a complete insight into the mechanism of the enriched pathways and other diseases related to the given target genes. In Molecular Docking analysis, IL10 attained top rank in Target-miRNA interaction and also the gene formed prominent exchanges with an excellent binding score (> = -8.0) against 19 compounds. Among them, Guggulsterone has an acute affinity score of -8.8 for IL10 and exhibits anti-inflammatory and immunomodulatory properties. Molecular Dynamics simulation study also performed for IL10 and the interacting ligand compounds using GROMACS. Finally, Guggulsterone will be recommended to enhance immunity against several inflammatory diseases, including COVID19.


Assuntos
COVID-19 , MicroRNAs , Humanos , Interleucina-10/genética , SARS-CoV-2/genética , Simulação de Acoplamento Molecular , Farmacologia em Rede , MicroRNAs/genética
11.
Polymers (Basel) ; 15(3)2023 Jan 29.
Artigo em Inglês | MEDLINE | ID: mdl-36771985

RESUMO

Immobilization of microbial cells for the production of industrially important enzymes has been reported to offer the advantages of recyclability, higher yields and cost effectiveness. The search for an appropriate matrix that is affordable and easy to prepare is a significant topic in microbial biotechnology. Here, an abundant type of agro-industrial waste-corncob-was utilized as an immobilization matrix for the production of xylanase from an indigenous yeast strain, Saccharomyces cerevisiae MK-157. This is the first report describing xylanase production from immobilized S. cerevisiae. To render the corncob matrix more porous, alkaline pretreatment was undertaken and yeast cells were immobilized on the matrix by cultivating at 30 °C for 48 h in Sabouraud dextrose broth. After incubation, the immobilized matrix was transferred to mineral salt medium containing 1% xylan and incubated at 30 °C for 24 h. Xylanase production was determined in cell-free culture supernatant and the matrix was recycled for up to seven cycles. Moreover, xylanase-mediated saccharification was carried out using sugarcane bagasse as a substrate and the release of reducing sugars was monitored. The results showed that the immobilized yeast produced 4.97 IU mL-1 xylanase in the first production cycle, indicating a >tenfold increase compared to the free cells. Xylanase production further increased to its maximum levels (9.23 IU mL-1) in the fourth production cycle. Nonetheless, the cells retained 100% productivity for up to seven cycles. The volumetric and specific productivity of xylanase were also the highest in the fourth cycle. Scanning electron microscopy images revealed the rough surface of the untreated corncob, which became more porous after alkaline pretreatment. Immobilized yeast cells were also visible on the corncob pieces. The saccharification of a natural resource-sugarcane bagasse-using xylanase preparation yielded 26 mg L-1 of reducing sugars. Therefore, it can be concluded that yeast strains can yield sufficient quantities of xylanase, allowing possible biotechnological applications. Moreover, corncob can serve as a cost-effective matrix for industrially important yeast strains.

12.
J Biomol Struct Dyn ; 41(18): 8738-8750, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36300501

RESUMO

Dengue virus has emerged as infectious mosquito borne disease involved in lowering platelets and white blood cells (WBC) count particularly. The genome structure is based on several structural and non-structural proteins essential for viral replication and progeny. One of the major proteins of replication is non-structural protein 3 (NS3) that transforms polyproteins into functional proteins with a cofactor non-structural protein (NS2B). Heat Shock Protein 70 (HSP70), is a human protein that assists in replication, viral entry and virion synthesis. Therefore, to inhibit the spread of dengue infection, there is a need of antivirals targeting replication proteins and other human proteins that help in dengue virus multiplication. By systemic approach based on molecular docking, ADMET (absorption, distribution, metabolism, excretion and toxicity) properties and molecular dynamic simulation (MD), potent inhibitors can be predicted. Inhibition of NS2B/NS3 dengue and HSP70 proteins involved in multiple steps in dengue virus progression can be prevented by using different phytochemicals. Molecular docking was performed using AutoDock Vina, PatchDock, and SwissDock. Interactions of obtained complex were observed in PyMOL and PLIP. Validation was checked by PROCHEK, simulation was performed using iMODS followed by preclinical testing by admetSAR. Ladanein, a flavonoid of Orthosiphon aristatus, was obtained as the lead compound to inhibit major replication protein of dengue virus with inhibitory potential against HSP70 protein. In summary, various in silico approaches were used to obtain the best phytochemical having anti-dengue potential.Communicated by Ramaswamy H. Sarma.

13.
Environ Res ; 216(Pt 2): 114423, 2023 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-36228691

RESUMO

Polycarboxylate (PCE) is a high performance superplasticizer for modern concrete. With the high quality sand becoming precious, more and more low quality sands are used in concrete. However, low quality sands generally contain a relatively high content of montmorillonite (MMT), which could seriously reduce the efficiency of PCE. In order to develop PCE suitable for concrete with low quality sands, the absorption behavior on MMT of PCE with different side chains and acid/ether ratio was investigated. In order to explore the effect of MMT on PCE, two macromonomers were selected, isoprene glycol ether 400(TPEG400) and isoprene glycol ether 2400 (TPEG2400), to synthesize six long and short side chain comb-type PCEs with acid-ether ratios of 1.5:1, 2.5:1 and 3.5:1, respectively. The MMT tolerance mechanism of comb-type PCE in MMT-containing cement slurry was examined by FT-IR, DLS, TOC and other analysis. The PCE with long side chain is much easier to be inserted into the layered structure of MMT, resulting in intercalation absorption. The absorption amount of two kinds of side chain PCE on the MMT particles decreased as the acid ether ratio increases. PCE with long side chains showed shear-thickening properties in MMT-containing cement slurry, on the contrary, short side chains showed shear-thinning properties.

14.
Acta Trop ; 237: 106735, 2023 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-36341780

RESUMO

Two environmental problems exist in some tropical and subtropical areas: the Aedes aegypti (L.) (Ae. aegypti) mosquito and thousands of tons of heavy oil fly ash (HOFA) from power plants. Herein, micro/nanoparticles of HOFA have been utilized as a larvicide against Ae. aegypti without any chemical or biological additive materials. We estimated the accumulative mortalities in the third instar after 24/48 h (h). We found that after 24 h of exposing the larvae to the HOFA microsized, the LC50 and LC90 were 0.55 and 4.87 mg/ml, respectively, while they were 0.10 and 0.36 mg/ml after 48 h. At the same time, the LC50 and LC90 were respectively 0.12 and 0.60 mg/ml after 24 h exposing the larvae to the HOFA nanosized, and they were 0.06 and 0.23 mg/ml after 48 h. These results showed that the HOFA nanoparticles as larvicides were more effective than HOFA microparticles. The microscopy images also revealed deformations such as pigmentations, segment shrinkage, larva swelling, segment body contraction, siphon swelling, intermediate stage, head deformations, and thorax swelling in the larvae exposed to the HOFA. These deformations could indicate alterations in the hormones that control the biochemistry of the larvae body. The findings of this study could suggest the possibility of using HOFA, particularly in nanosized, as a promising larvicide against the Ae. aegypti mosquito.


Assuntos
Aedes , Inseticidas , Animais , Cinza de Carvão/farmacologia , Inseticidas/farmacologia , Folhas de Planta , Extratos Vegetais/farmacologia , Larva
15.
Front Chem ; 10: 1023316, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36339037

RESUMO

Twenty-five analogs were synthesized based on 1,3,4-thiadiazole-fused-[1,2,4]-thiadiazole incorporating 1,4-benzodioxine moiety (1-25) and then tested for the antidiabetic profile. The entire afforded derivatives showed varied inhibition profiles ranging between 0.70 ± 0.01 and 30.80 ± 0.80 µM (against α-amylase) in comparison to standard acarbose (12.80 ± 0.10 µM). Similarly, synthetics analogs also displayed a varied range of α-glucosidase activity ranging from 0.80 ± 0.01 µM to IC50 = 29.70 ± 0.40 µM (against α-glucosidase) as compared to standard acarbose (IC50 = 12.90 ± 0.10 µM). Among synthesized analogs, compound 22 showed excellent potency due to the presence of di-hydroxy substitutions at the 2,3-position of the aryl ring. For all analogs, the structure-activity relationship was carried out based on the pattern of substitutions around the aryl ring, and further, the potent analogs were subjected to a molecular docking study to analyze how active residues of targeted enzymes interact with active parts of newly prepared analogs. The result obtained shows that these compounds furnish several key interactions with enzyme active sites and, hence, enhanced their enzymatic activities.

16.
Toxics ; 10(11)2022 Oct 29.
Artigo em Inglês | MEDLINE | ID: mdl-36355948

RESUMO

The synthesis of a photo-catalyst with a narrow bandgap and efficient capability to degrade contaminants in the presence of sunlight is currently challenging but exciting. In this work, an efficient photocatalytic ternary nanocomposite g-C3N4/Cu@CdS has been synthesized successfully by using the co-precipitation method. The synthesized composite was then characterized by SEM, XRD studies, EDX analysis, and ultra-violet-visible (UV-VIS) spectroscopy. The catalytic efficiency for the methylene blue (MB) dye and drug degradation (ciprofloxacin) was assessed by UV-visible absorption spectra. Gram-positive and Gram-negative bacteria were used to test the fabrication composite's antibacterial properties. Various compositions (1%, 3%, 5%, 7%, and 9%) of/Cu@CdS nanocomposite (NCs) and 20%, 30%, 40%, 50%, and 60% of g-C3N4 NCs were prepared. Results reveal that 5%Cu@CdS and 40%g-C3N45%Cu@CdS showed maximum antibacterial activity and photocatalytic degradation of dye and drug. The X-ray pattern showed no remarkable change in doped and pristine CdS nanoparticles (NPs). The efficient photocatalytic degradation activity of the fabricated ternary nanocomposite against MB dye and ciprofloxacin an antibiotic drug makes it a viable contender for solving environmental problems.

17.
Molecules ; 27(22)2022 Nov 08.
Artigo em Inglês | MEDLINE | ID: mdl-36431778

RESUMO

In the present work, sulfur-doped manganese ferrites S@Mn(Fe2O4) nanoparticles were prepared by using the sol-gel and citrate method. The concentration of sulfur varied from 1 to 7% by adding Na2S. The samples were characterized by performing Fourier Transformed Infrared Spectroscopy (FTIR), Energy Dispersive X-ray (EDX), X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Ultraviolet-Visible spectroscopy (UV-Visible). The synthesized sulfur-doped manganese ferrites were applied to evaluate the photocatalytic degradation of the dyes. Further, the degradation studies revealed that the nanoparticles successfully degraded the methylene blue dye by adding a 0.006 g dose under the sunlight. The sulfur-doped manganese ferrite nanoparticles containing 3% sulfur completely degraded the dye in 2 h and 15 min in aqueous medium. Thus, the ferrite nanoparticles were found to be promising photocatalyst materials and could be employed for the degradation of other dyes in the future.


Assuntos
Nanopartículas , Luz Solar , Manganês/química , Catálise , Nanopartículas/química , Corantes/química , Cátions , Enxofre
18.
Molecules ; 27(21)2022 Oct 29.
Artigo em Inglês | MEDLINE | ID: mdl-36364195

RESUMO

The current study was conducted to obtain hybrid analogues of indole-based thiadiazole derivatives (1-16) in which a number of reaction steps were involved. To examine their biological activity in the presence of the reference drug Donepezil (0.21 ± 0.12 and 0.30 ± 0.32 M, respectively), the inhibitory potentials of AChE and BuChE were determined for these compounds. Different substituted derivatives showing a varied range of inhibitory profiles, when compared to the reference drug, analogue 8 was shown to have potent activity, with IC50 values for AchE 0.15 ± 0.050 M and BuChE 0.20 ± 0.10, respectively, while other substituted compounds displayed good to moderate potentials. Varied spectroscopic techniques including 1H, 13CNMR and HREI-MS were used to identify the basic skeleton of these compounds. Furthermore, all analogues have a known structure-activity relationship (SAR), and molecular docking investigations have verified the binding interactions of molecule to the active site of enzymes.


Assuntos
Acetilcolinesterase , Tiadiazóis , Acetilcolinesterase/metabolismo , Simulação de Acoplamento Molecular , Inibidores da Colinesterase/química , Tiadiazóis/farmacologia , Tiadiazóis/química , Estrutura Molecular , Relação Estrutura-Atividade , Indóis/farmacologia
19.
Molecules ; 27(19)2022 Oct 10.
Artigo em Inglês | MEDLINE | ID: mdl-36235294

RESUMO

Common methodologies such as liquid-liquid extraction and solid-phase extraction are applied for the extraction of opioids from biological specimens i.e., blood and urine. Techniques including LC-MS/LC-MSMS, GC-MS, etc. are used for qualitative or quantitative determination of opioids. The goal of the present work is to design a green, economic, rugged, and simple extraction technique for famous opioids in human blood and urine and their simultaneous quantification by GC-MS equipped with an inert plus electron impact (EI) ionization source at SIM mode to produce reproducible and efficient results. Morphine, codeine, 6-acetylmorphine, nalbuphine, tramadol and dextromethorphan were selected as target opioids. Anhydrous Epsom salt was applied for dSPE of opioids from blood and urine into acetonitrile extraction solvent with the addition of sodium phosphate buffer (pH 6) and n-hexane was added to remove non-polar interfering species from samples. BSTFA was used as a derivatizing agent for GC-MS. Following method validation, the LOD/LLOQ and ULOQ were determined for morphine, codeine, nal-buphine, tramadol, and dextromethorphan at 10 ng/mL and 1500 ng/mL, respectively, while the LOD/LLOQ and ULOQ were determined for 6-acetylmorphine at 5 ng/mL and 150 ng/mL, respectively. This method was applied to real blood and urine samples of opioid abusers and the results were found to be reproducible with true quantification.


Assuntos
Nalbufina , Tramadol , Acetonitrilas , Analgésicos Opioides , Codeína/análise , Dextrometorfano , Cromatografia Gasosa-Espectrometria de Massas/métodos , Humanos , Morfina/análise , Derivados da Morfina/urina , Extração em Fase Sólida/métodos , Solventes , Detecção do Abuso de Substâncias/métodos
20.
RSC Adv ; 12(42): 27131-27144, 2022 Sep 22.
Artigo em Inglês | MEDLINE | ID: mdl-36276042

RESUMO

Although tris(8-hydroxyquinoline)aluminum (Alq3), a fluorescent optical organometallic material, is known for its applications in optoelectronics, it has only few and limited applications in the biological field. In this study, the antibacterial activity of Alq3 micro and nanostructures was investigated. We prepared Alq3 nanostructures. We prepared nanosized Alq3 as rice-like structures that assembled into flower shapes with an α-crystal phase. Then, Alq3 micro and nanostructure antibacterial activities were estimated against seven human pathogenic bacterial strains. Besides, we compared their antibacterial activities with those of standard antibiotics. The minimal inhibitory concentration (MIC), minimum bactericidal concentration (MBC), and IC50 were evaluated. Alq3 micro and nanostructure antibacterial activity showed considerable values compared to standard antibiotics. Besides, the obtained data revealed that the antibacterial activity of Alq3 in nanostructures with a new morphology is more than that in microstructures. The antibacterial activity of Alq3 nanostructures was attributed to their more surface interactions with the bacterial cell wall. The molecules of 8-hydroxyquinoline in the Alq3 structure could play crucial roles in its antibacterial activity. To apply the achieved results, Alq3 was incorporated with polystyrene (PS) in a ratio of 2% to fabricate a PS/Alq3 composite and used to coat glass beakers, which showed inhibition in the bacterial growth reduced to 65% compared with non-coated beakers. The finding of this study showed that Alq3 could be used as a promising antimicrobial coating.

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