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Thirteen carbon materials were tested as sorbent layers in bar adsorbent microextraction (BA μ E) to monitor hint amounts of 10 common pharmaceutical compounds (PhCs) in surface and groundwater matrices such as surface and groundwater, saltwater, spring water, and sewage. The persistence of trace amounts of three organophosphate insect repellent and cis and trans permethrin (PERM) in water quality matrices is suggested using bar adsorptive microextraction in conjunction with microliquid dissolution accompanied by significant volume injection-gas chromatography-mass spectroscopic analysis able to operate in the particular ion monitoring acquisition mode. Using BA μ E to compare several sorbent coatings (five porous carbon and six polymers), it was discovered that activated carbon (AC2) was the optimum compromise among specificity and effectiveness. 17-estradiol, estrone, sulfamethoxazole, diclofenac, triclosan, gemfibrozil, 17-ethinylestradiol, mefenamic acid, and clofibric acid were chosen as system drugs to represent different treatment groups. Despite their lower porosity, statistics revealed that low-T-activated hydrochars, made from carbohydrates and a eutectic salt mixture at constant temperature (e.g., 180°C) and autogenerated pressures, could compete at the top level commercially carbonaceous materials in this purpose. These L-T-activated hydrochars had the best overall recovery (between 21.8 and 83.5 percent) for the simultaneous analysis of ten targeted PhCs with very different physical and chemical possessions, utilizing higher-efficiency liquid chromatography diode array identification. [ABSTRACT FROM AUTHOR]

Due to the obvious minimal doses of drugs in biological matrices as well as the societal difficulties caused by methamphetamine usage, methamphetamine identification is critical in clinical and forensic laboratories. Because of their simple and inexpensive production procedure, as well as their excellent selectivity and sensitivity, polymeric carbon-based nanocomposites are strong contenders for the diffusive solid-phase extraction approach. The diffusive solid-phase extraction absorbent nanographene oxide polypyrrole composite was produced and used to recover methamphetamine from a complicated urine substrate. The generated NGPPC was fully characterized, and the significant extracting parameters have been explored using the one-parameter-at-a-time strategy. NGOPC is being used to extract methamphetamine using a urine medium with high efficiency. The NGPPC synthesizing procedure was easy, and the extraction method will demonstrate good repeatability. Moreover, the practical and efficient synthesis process stimulates the use of carbon-based compounds in various extraction procedures. As for detecting and quantifying equipment, HPLC monitors are being used. 300 mL methanol, 7 min extracting and desorption duration, 5000 mixing frequency, urinary pH value of 20, 40 mg adsorption, and 5 mL amount of urine were the optimal extraction variables. Following tracing the calibration graph, the method's linear ranges were determined to be 40-600 ng/ml. The detection limits (LOD) and quantitation limits (LOQ), correspondingly, were 10 and 35.80 ng/mL. The proposed methodology seemed to have a detection range of 9 ng/mL. The suggested approach's applicability in numerous characterization and medical facilities was proven by the examination of addicted subjects using the proposed technique. For successful extraction of methamphetamine using biological urine samples, the carbon-based adsorbent was being used as diffusive solid-phase extraction adsorption. [ABSTRACT FROM AUTHOR]

This experiment aimed to optimize the protein extraction from mosambi peel powder using Support Vector Regression and Genetic Algorithm. The protein was extracted using the pH shift method with ultrasound treatment. A model based on Support Vector Regression (SVR) was created to predict protein yield extraction from mosambi peel powder based on extraction parameters such as particle size (150, 375, and 600 m), ultrasonic (US) time (5, 8, and 11 min), and amplitude (50%, 70%, and 90%). The model accurately predicted both seen and unseen data (R2 = 0.9934 and 0.989, respectively). The trained SVR model was optimized using the Genetic Algorithm to maximize the extraction yield. The optimized model predicted the yield of 55.24% at particle size 187.496 μm, time 10.79 min, and 53.15% amplitude. The model prediction was validated experimentally, and 54.24% yield with 90.2% crude protein was obtained at the optimal settings. The recovered mosambi peel protein isolate shows 26.3% emulsion stability, 1.34 ml/g water‐holding capacity, 3.1 ml/g oil‐holding capacity, and 30% foaming capacity. The XRD of the protein isolate suggested the dominating amorphous nature with a crystallinity index of 27.35. In conclusion, the mosambi peel protein isolate has good functional properties and can be used as a functional ingredient in the food industry. Practical Implications: The fruit industry by‐products have been used for the extraction of phytochemicals and dietary fibers. However, there are a few investigations on protein extraction from these by‐products. Protein derived from these sources can be employed as a functional component in the development of new food products or to boost the protein content of existing ones. This will also aid farmers and producers by reducing waste and increasing the value of juice by‐products. [ABSTRACT FROM AUTHOR]

Biliary tract cancer (BTC) is constituted by a heterogeneous group of malignant tumors that may develop in the biliary tract, and it is the second most common liver cancer. Human ribonucleotide reductase M1 (hRRM1) has already been proven to be a potential BTC target. In the current study, a de novo design approach was used to generate novel and effective chemical therapeutics for BTC. A set of comprehensive pharmacoinformatics approaches was implemented and, finally, seventeen potential molecules were found to be effective for the modulation of hRRM1 activity. Molecular docking, negative image-based ShaEP scoring, absolute binding free energy, in silico pharmacokinetics, and toxicity assessments corroborated the potentiality of the selected molecules. Almost all molecules showed higher affinity in comparison to gemcitabine and naphthyl salicylic acyl hydrazone (NSAH). On binding interaction analysis, a number of critical amino acids was found to hold the molecules at the active site cavity. The molecular dynamics (MD) simulation study also indicated the stability between protein and ligands. High negative MM-GBSA (molecular mechanics generalized Born and surface area) binding free energy indicated the potentiality of the molecules. Therefore, the proposed molecules might have the potential to be effective therapeutics for the management of BTC. [ABSTRACT FROM AUTHOR]

Cytochrome P450 3A5 (CYP3A5) is one of the crucial CYP family members and has already proven to be an important drug target for cardiovascular diseases. In the current study, the PubChem database was screened through molecular docking and high-affinity molecules were adopted for further assessment. A negative image-based (NIB) model was used for a similarity search by considering the complementary shape and electrostatics of the target and small molecules. Further, the molecules were segregated into active and inactive groups through six machine learning (ML) matrices. The active molecules found in each ML model were used for in silico pharmacokinetics and toxicity assessments. A total of five molecules followed the acceptable pharmacokinetics and toxicity profiles. Several potential binding interactions between the proposed molecules and CYP3A5 were observed. The dynamic behavior of the selected molecules in the CYP3A5 was explored through a molecular dynamics (MD) simulation study. Several parameters obtained from the MD simulation trajectory explained the stability of the protein–ligand complexes in dynamic states. The high binding affinity of each molecule was revealed by the binding free energy calculation through the MM-GBSA methods. Therefore, it can be concluded that the proposed molecules might be potential CYP3A5 molecules for therapeutic application in cardiovascular diseases subjected to in vitro/in vivo validations. [ABSTRACT FROM AUTHOR]

Activated carbon doping TiO2 nanoparticles were synthesised by zapota leaf extract using the co-precipitation method. The bio-constituents of plant compounds were used in the reactions of stabilization and reductions. The carbon loading on the TiO2 nanoparticles was characterised by XRD, FTIR, UV-DRS, SEM with EDX, and TEM analysis. The loading of activated carbon onto the TiO2 nanoparticles decreased the crystallite size and optical bandgap, and their doping improved the surface structure of AC/TiO2 nanoparticles. Mesoporous/microporous instability was remodified from the activated carbon, which was visualised using SEM and TEM analysis, respectively. The photocatalytic dye degradation of Rh-B dye was degraded in TiO2 and AC/TiO2 nanoparticles under visible light irradiation. The degradation efficiencies of TiO2 and AC/TiO2 nanoparticles were 73% and 91%, respectively. The bacterial abilities of TiO2 and AC/TiO2 nanoparticles were examined by E. coli and S. aureus. The water reclamation efficiency and bactericidal effect of TiO2 and AC/TiO2 nanoparticles were examined via catalytic dye degradation and bacterial efficiency of activated carbon-doped titanium dioxide nanoparticles. [ABSTRACT FROM AUTHOR]

Iron oxide nanoparticles are produced using simple auto combustion methods with honey as a metal-stabilizing and -reducing agent. Herein, α-Fe2O3 nanoparticles are produced using an iron nitrate precursor. These prepared samples are analyzed by an X-ray diffractometer (XRD), FTIR spectroscopy, UV-DRS, and a field-emission scanning electron microscope (FESEM) combined with energy-dispersive spectroscopy and a vibrating sample magnetometer (VSM). The XRD results confirm a rhombohedral structure with an R3 c ¯ space group single-phase formation of α-Fe2O3 in all samples. FESEM images reveal the different morphologies for the entire three samples. TEM analysis exhibits spherical shapes and their distribution on the surfaces. XPS spectroscopy confirms the Fe-2p and O-1s state and their valency. The VSM study shows strong ferromagnetic behavior. The prepared α-Fe2O3 nanoparticles exhibit exceptional charge carriers and radical production. The prepared sample retains excellent photocatalytic, antifungal and antibacterial activity. [ABSTRACT FROM AUTHOR]

Reinforcing fibers, nanofillers, matrix materials, and manufacturing techniques all have a role in the mechanical characteristics of hybrid composites. MWCNTs-reinforced E-glass/Kevlar/epoxy composites are appropriate fillers for structural applications. The impact of different concentrations of MWCNT fillers (0.4%, 0.8%, and 1.2% wt) on the mechanical characteristics of hybrid composites has been studied. Tensile and bending strength, as well as hardness, were measured in compression-molded composites. The effects of compression pressure, mold temperature, and applied pressure on hybrid (0.8% MWCNT) were investigated. When it came to composite tensile and bending strength, compression pressure was the most important factor, closely succeeded by mold temperature and pressure period. Compression molding were optimized, resulting in a tensile strength of 183 MPa, a bending strength of 158.3 MPa, and a hardness value of 23.8 HV. [ABSTRACT FROM AUTHOR]

The Schiff-base probe H2VL [6,6'-((1E,1'E)-hydrazine-1,2 diylidenebis(methanylylidene))bis(2-methoxyphenol)] is synthesized and structurally characterized by single crystal X-ray diffraction (SCXRD). H2VL is able to detect selectively acetate ion (OAc-) colorimetrically over other anions with 1:1 co-ordination. The detection limit is found to be 4.93 µM. On the other hand, fluorescence intensity of the receptor is drastically enhanced with Zn2+ and Cd2+ in the presence of acetate as counter anion. N, N-Dimethyl formamide (DMF) or Dimethylsulphoxide (DMSO) and acetate (OAc-) was the best solvent and counter anion for Zn2+/Cd2+ -sensing compared with other solvents and anions, respectively. Detection limit for Zn2+ and Cd2+ are calculated to be 1.94 µM and 1.99 µM, respectively. The strong selective emissive behavior could be attributed to the CHEF (chelation-enhanced fluorescence) process. According to the changes in output emission intensity in DMSO in response to the set of ions (Zn2+, Cd2+ and OAc¯) as input variables, the function of 3-input multifunctional molecular logic circuits has been demonstrated. The molecular docking studies of H2VL with DNA and BSA are also performed to confirm its possible bioactivity. [ABSTRACT FROM AUTHOR]

The present research work reports the facile and green synthesis of TiO2 nanoparticles from Phyllanthus niruri leaf extract using the coprecipitation method. The plant biomolecules were responsible for the nanoproduction and exhibited reduction and stabilization activity. The green synthesized TiO2 nanoparticles were analyzed in various characterization methods. The crystalline size (23 nm) and anatase phase of TiO2 nanoparticles were analyzed from X-ray diffraction study. The reduction and stabilization response functional group of TiO2 nanoparticles was studied from FTIR analysis. The optical properties of TiO2 nanoparticles were constructed from the UV-DRS technique, and their calculated bandgap is 3.16 eV. The spherical morphology and their existing materials were identified using FESEM with EDX. The catalytic activity of TiO2 nanoparticles was examined against methylene blue dye under ultraviolet and visible light irradiation. It was detected that ultraviolet irradiation showed higher photocatalytic activity than visible light irradiation. In addition, visible light irradiation provides the above 90 percentage degradation of methylene blue dye. Hence, TiO2 nanoparticles were proposed as a potential catalyst of photocatalytic dye degradation application and water remediation activities. [ABSTRACT FROM AUTHOR]

Visible light-driven photocatalyst BiFeO3 (BFO) nanoparticles were synthesised by the auto-combustion method. The honey was used to fuel the auto combustion method to synthesise the BFO nanoparticles. The structural, optical and morphological activities of the bismuth loaded BFO nanoparticles were characterised by X-ray diffraction (XRD), FTIR, UV, photoluminescence (PL) and SEM analysis, respectively. The bismuth content modifies the lattice parameters of XRD and reduces the bandgap energy. The observed crystallite size varies from 19 to 27 nm and the bandgap region is 2.07 to 2.21 eV. The photo-charge carriers increased upon the BFO nanoparticles and their emission at 587 nm in the visible region of the PL spectrum. The 2% bismuth loaded BFO nanoparticles showed better morphology than 0% and 5% bismuth loaded BFO nanoparticles. The oxidation state of BFO nanoparticles and their binding energies were characterised by X-ray Photoelectron Spectroscopy (XPS) analysis. The methylene blue dye (MB) degradation against 2% BFO nanoparticles showed enhanced catalytic activity (81%) than the remaining samples of BFO nanoparticles. The bacterial activity of BFO nanoparticles was assessed against Gram-positive and Gram-negative bacteria, including S. aureus and E. coli. 2% Excess bismuth BFO nanoparticles exhibit better antibacterial activity. Comparatively, 2% Excess bismuth BFO nanoparticles derived an outstanding crystallinity, charge separation, and reduced bandgap activities. Based on these findings, BFO nanoparticles may be applicable in drug delivery and water remediation applications. [ABSTRACT FROM AUTHOR]

The growing problems of environmental damage have been caused by the continuous outrush of heavy metals from industrial wastewater. To resolve this issue, bioremediation is playing a safe and eco-friendly role in the removal of these heavy metals from environmental wastewater bodies. It has provoked demand with regard to understanding the mechanisms of bioaccumulation and detoxification developed by the organisms living in the heavy metal-exposed industrial wastewater. The present investigation focuses on Paramecium multimicronucleatum, a ciliated protozoan isolated from industrial wastewater, with the objective of assessing its capabilities as an environmental bioremediator. Purified cell culture was maintained in bold basal salt medium and optimum growth conditions were determined. A maximum growth rate of 6.0–9.0 × 103 cells/mL at 25–30 °C and pH 7.0 was observed, and therefore revealed to be the optimal growth conditions for this species. It can tolerate 40–50 µg/mL of copper ion stress with little effect on growth rate as compared to control. It is able to uptake more than 80% of copper ions from the medium in 96 h. A significant twofold rise in glutathione content and non-protein thiols was recorded as an indication of a defensive mechanism in place to fight against the oxidative stress caused by the copper treatment. A notable increase of 50–70 µg/mL in total protein content of stressed cells in comparison to non-stressed was also observed as potential induction of some particular proteins for the purpose of resistance against copper stress. [ABSTRACT FROM AUTHOR]