Adsorption of Bisphenol-A by banana biochar: kinetic, isotherms and thermodynamics.

The continuous release of chemical substances like endocrine disruptor bisphenol-A (BPA) can cause harmful health and environmental effects in humans, wildlife and aquatic organisms. This study demonstrates the use of raw and biochar (treated) banana peel adsorbents for the elimination of bisphenol-A in a batch process. The sorption data revealed that optimum adsorption was attained at a pH of 8.

Utilization of valorised wood bark waste as an adsorbent for the uptake of Pb(II) ions.

This study investigates the potential of valorized wood bark waste as an efficient, low-cost adsorbent for removing Pb(II) ions from aqueous solutions. Valorization via pyrolysis significantly enhanced the surface area (from 105.3 to 344.

Advanced theoretical insights into energetically favorable and structurally stable boron-doped graphitic carbon nitride for effective catalytic removal of nitrous oxide and carbon monoxide from industrial flue gases.

In this study, density functional theory (DFT) calculations are employed to evaluate the applicability of a boron-doped graphitic carbon nitride (B@g-CN) nanosheet for the reduction of nitrous oxide (NO) and carbon monoxide (CO). From the results, it is clear that the B-doping of graphitic carbon nitride is favorable energetically, and the resulting B@g-CN is both physically and thermodynamically stable. Nitrous oxide molecule spontaneously dissociates upon interaction with the B@g-CN surface from its oxygen side without requiring an external supply of energy, releasing -2.

Nanoscale grinding: Unlocking the nutrient potential of oxidized phosphate rocks for sustainable fertilizer innovation.

The current study delves into the transformative effects of intensive grinding to nanoscale upon oxidized phosphate rocks (PRs) of various grades, high (HMP), medium (MMP) and low (LMP) micro-sizes. Hence, the consequences of these transformative changes on phosphorous dissolution rate of these fractions using acetic acid, were carefully evaluated. The produced high (HNP) and medium (MNP) grades of nano-sized fractions revealed significant changes in their chemical composition, mineralogical, morphological and geometrical properties.

In silico analysis of potential inhibitors for breast cancer targeting 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) catalyses.

Breast cancer (BC) is still one of the major issues in world health, especially for women, which necessitates innovative therapeutic strategies. In this study, we investigated the efficacy of retinoic acid derivatives as inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1), which plays a crucial role in the biosynthesis and metabolism of oestrogen and thereby influences the progression of BC and, the main objective of this investigation is to identify the possible drug candidate against BC through computational drug design approach including PASS prediction, molecular docking, ADMET profiling, molecular dynamics simulations (MD) and density functional theory (DFT) calculations. The result has reported that total eight derivatives with high binding affinity and promising pharmacokinetic properties among 115 derivatives.

Medicinal and chemosensing applications of chitosan based material: A review.

Chitosan (CTS), has emerged as a highly intriguing biopolymer with widespread applications, drawing significant attention in various fields ranging from medicinal to chemosensing. Key characteristics of chitosan include solubility, biocompatibility, biodegradability and reactivity, making it versatile in numerous sectors. Several derivatives have been documented for their diverse therapeutic properties, such as antibacterial, antifungal, anti-diabetic, anti-inflammatory, anticancer and antioxidant activities.

New imidazole-2-ones and their 2-thione analogues as anticancer agents and CAIX inhibitors: Synthesis, in silico ADME and molecular modeling studies.

The present study involves the synthesis of a series of new imidazole-2-ones derivatives and their 2-thione analogs using conventional heating and the environmentally friendly benign technique, the microwave technique. Structure of the compounds was well elucidated by considering the data of both elemental and spectral analyses. The obtained data and theoretical values of the synthesized molecules correlated with the proposed molecular structure.

A novel electrochemical hybrid platform for sensitive determination of the aminoglycoside antibiotic Kasugamycin residues in vegetables.

Kasugamycin residues (KASU), a pest control antibiotic, was reported as an ecosystem threat owing to its over-application in plant protection to meet the growing global need for agronomic products. Therefore, we report herein the first electrochemical sensor for fast and sensitive analysis of KASU in vegetables based on the synergetic hybridization between conducting polyserine film (poly (SER)), and carbon nanomaterials including functionalized multiwalled carbon nanotubes (fMWCNTs) and reduced graphene oxide (rGO). The sensor was characterized morphologically using Scanning electron (SEM) and atomic force Microscopy (AFM), while cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) were used for electrochemical characterization.

Synthesis and Characterization of Orange Peel Modified Hydrogels as Efficient Adsorbents for Methylene Blue (MB).

In recent years, due to the developments in the textile industry, water contaminated with synthetic dyes such as methylene blue (MB) has become an environmental threat based on the possible impacts in terms of chemical and biochemical demand, which leads to disturbance in aquatic plants photosynthesis, besides their possible toxicity and carcinogenicity for humans. In this work, an adsorbent hydrogel is prepared via free radical polymerization comprising acrylic acid (PAA) as a monomer and orange peel (OP) as a natural modifier rich in OH and COOH present in its cellulose and pectin content. The resulting hydrogels were optimized in terms of the content of OP and the number of cross-linkers and characterized morphologically using Scanning electron microscopy.

Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives.

In the present study, we reported the efficient synthesis of novel, heterocyclic, coumarin-based pyrano-chromene derivatives, 2-amino-8-methyl-5-oxo-4-[2-(2-oxo-2-chromen-3-ylmethoxy)-phenyl]-4,5-pyrano[3,2-]chromene-3-carbonitrile (4a) and 2-amino-8-methyl-5-oxo-4-[2-(2-oxo-2-chromen-3-ylmethoxy)-phenyl]-4,5-pyrano[3,2-]chromene-3-carboxylic acid methyl ester (4b). The chemical structures of synthesized compounds were resolved by employing various spectroscopic techniques like UV-Vis, FT-IR, H & C NMR, and single crystal X-ray diffraction (SC-XRD) analysis. The compounds; 4a and 4b, with appealing π-bonded skeleton were further analyzed in terms of their electronic and structural aspects using an integral approach of density functional theory (DFT) and time-dependent DFT (TD/DFT).

Synthesis, nonlinear optical analysis and DFT studies of D-π-D and A-π-A configured Schiff bases derived from bis-phenylenediamine.

Herein, an integral approach has been made towards the exploration of electronic and structural parameters of four synthesized (DMA with an A-π-A configuration and DMM, DAM, and DMD with a D-π-D configuration) and one designed (DMB-D) novel Schiff base compounds. Bis phenylenediamine derivatives were prepared by condensation of 4,5-dimethyl--phenylenediamine (1) with various substituted benzaldehydes (2a-d). The structures of compounds were confirmed by spectroscopic techniques, , UV-visible, FT-IR, and NMR spectroscopy.

First theoretical probe for efficient enhancement of optical nonlinearity structural modifications into phenylene based D-π-A configured molecules.

The design of nonlinear optical (NLO) materials using conjugated molecules different techniques is reported in the literature to boost the use of these systems in NLO. Therefore, in the current study, designed phenylene based non-fullerene organic compounds with a D-π-A framework were selected for NLO investigation. The initial compound (PMD-1) was taken as a reference and its seven derivatives (PMDC2-PMDC8) were made by introducing different acceptor moieties into the chemical structure of PMD-1.

Application of a Conducting Poly-Methionine/Gold Nanoparticles-Modified Sensor for the Electrochemical Detection of Paroxetine.

This work demonstrates a facile electropolymerization of a dl-methionine (dl-met) conducting polymeric film on a gold nanoparticle (AuNPs)-modified glassy carbon electrode (GCE). The resulting sensor was successfully applied for the sensitive detection of paroxetine·HCl (PRX), a selective serotonin (5-HT) reuptake inhibitor (SSRIs), in its pharmaceutical formulations. The sensor was characterized morphologically using scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDX) and atomic force microscopy (AFM) and electrochemical techniques such as differential pulse voltammetry (DPV), electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV).

Enhanced Nanofiltration Process of Thin Film Composite Membrane Using Dodecyl Phenol Ethoxylate and Oleic Acid Ethoxylate for Oilfield Calcite Scale Control.

This research studied the enhancing effect on the nanofiltration composite (TFCNF) membrane of two non-ionic surfactants on a thin-film composite nanofiltration membrane (TFCNF) for calcite scale (CaCO) inhibition in oilfield application to develop a multifunctional filtration system: nanofiltration, antiscalant, and scale inhibitors. The effectiveness of dodecyl phenol ethoxylate (DPE) and oleic acid ethoxylate (OAE) as novel scale inhibitors were studied using the dynamic method. Scaling tests on the membrane were performed to measure the scaling of the inhibited membrane with and without scale inhibitors for salt rejection, permeability, and flux decline.