A highly explicit electrochemical biosensor for catechol detection in real samples based on copper-polypyrrole.

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.

Synthesis of tricyclic and tetracyclic benzo[6,7]cycloheptane derivatives linked morpholine moiety as CDK2 inhibitors.

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.

Polyaniline-Supported Nickel Oxide Flower for Efficient Nitrite Electrochemical Detection in Water.

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.

Computational approaches for innovative anti-viral drug discovery using Orthosiphon aristatus blume miq against dengue virus.

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.

Oil fly ash as a promise larvicide against the Aedes aegypti mosquitoes.

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.

Antibacterial activity of the micro and nanostructures of the optical material tris(8-hydroxyquinoline)aluminum and its application as an antimicrobial coating.

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.

Simultaneous Quantification of Opioids in Blood and Urine by Gas Chromatography-Mass Spectrometer with Modified Dispersive Solid-Phase Extraction Technique.

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.

Synthesis, In Vitro Anti-Microbial Analysis and Molecular Docking Study of Aliphatic Hydrazide-Based Benzene Sulphonamide Derivatives as Potent Inhibitors of α-Glucosidase and Urease.

A unique series of sulphonamide derivatives was attempted to be synthesized in this study using a new and effective method. All of the synthesized compounds were verified using several spectroscopic methods, including FTIR, 1H-NMR, 13C-NMR, and HREI-MS, and their binding interactions were studied using molecular docking. The enzymes urease and α-glucosidase were evaluated against each derivative (1-15). When compared to their respective standard drug such as acarbose and thiourea, almost all compounds were shown to have excellent activity. Among the screened series, analogs 5 (IC50 = 3.20 ± 0.40 and 2.10 ± 0.10 µM) and 6 (IC50 = 2.50 ± 0.40 and 5.30 ± 0.20 µM), emerged as potent molecules when compared to the standard drugs acarbose (IC50 = 8.24 ± 0.08 µM) and urease (IC50 = 7.80 ± 0.30). Moreover, an anti-microbial study also demonstrated that analogs 5 and 6 were found with minimum inhibitory concentrations (MICs) in the presence of standard drugs streptomycin and terinafine.

Comparative Evaluation of Various Extraction Techniques for Secondary Metabolites from Bombax ceiba L. Flowering Plants along with In Vitro Anti-Diabetic Performance.

Bombax ceiba L. (Family: Malvaceae) was rightly called the "silent doctor" in the past as every part of it had medicinal value. For centuries, humans have used this plant according to the traditional medicinal systems of China, Ayurveda, and tribal communities. Recently, with an emerging interest in herbals, attention has been paid to scientifically validating medicinal claims for the treatment of diabetes using secondary metabolites of B. ceiba L. flowers. In the present study, specific secondary metabolites from the flowers of B. ceiba L. were isolated in good yield using the solvent extraction methodology, and their in vitro anti-diabetic efficacy was examined. Extraction efficiency of each solvent for secondary metabolites was found in following order: water > ethanol> methanol > chloroform > petroleum ether. Quantitative analysis of secondary metabolites showed 120.33 ± 2.33 mg/gm polyphenols, 60.77 ± 1.02 mg/g flavonoids, 60.26 ± 1.20 mg/g glycosaponins, 0.167 ± 0.02 mg/g polysaccharides for water extract; 91.00 ± 1.00 mg/g polyphenols, 9.22 ± 1.02 mg/g flavonoids, 43.90 ± 0.30 mg/g glycosaponins, 0.090 ± 0.03 mg/g poly saccharides for ethanol extract; 52.00 ± 2.64 mg/g polyphenols, 35.22 ± 0.38 mg/g flavonoids, 72.26 ± 1.05 mg/g glycosaponins, 0.147 ± 0.01 mg/g polysaccharides for methanol extract; 11.33 ± 0.58 mg/g polyphenols, 23.66 ± 1.76 mg/g flavonoids, 32.8 ± 0.75 mg/g glycosaponins, 0.013 ± 0.02 mg/g polysaccharides for chloroform extract; and 3.33 ± 1.53 mg/g polyphenols, 1.89 ± 1.39 mg/g flavonoids, 21.67 ± 1.24 mg/g glycosaponins, 0.005 ± 0.01 mg/g polysaccharides for petroleum ether extract. Glucose uptake by yeast cells increased 70.38 ± 2.17% by water extract.