Correction: Exploring the properties of ZrCO/GaS van der Waals heterostructures for optoelectronic applications.

Correction for 'Exploring the properties of ZrCO/GaS van der Waals heterostructures for optoelectronic applications' by Altaf Ur Rahman , , 2024, https://doi.org/10.1039/D4CP02370F.

Exploring the properties of ZrCO/GaS van der Waals heterostructures for optoelectronic applications.

We investigate the structural, electronic, and optical properties of eight possible ZrCO/GaS van der Waals (vdW) heterostructures using first-principles calculations based on a hybrid functional. These structures display favorable stability, indicated by matching crystal structures and negative formation energies. In all considered configurations, these heterostructures act as indirect band gap semiconductors with a type-II band alignment, allowing efficient electron-hole separation.

Molecular modeling and simulation of transition metal-doped molybdenum disulfide biomarkers in exhaled gases for early detection of lung cancer.

Background: The presence of volatile organic compounds (VOCs) in the exhaled breath of lung cancer patients is the only available source for detecting the disease at its initial stage. Exhaled breath analysis depends purely on the performance of the biosensors. The interaction between VOCs and pristine MoS is repulsive in nature.

Biomimetic Electrochemical Sensors Based on Core-Shell Imprinted Polymers for Targeted Sunset Yellow Estimation in Environmental Samples.

Magnetic molecularly imprinted polymers (MMIPs) contain the predesigned specialized recognition capability that can be chosen to build credible functional materials, that are easy to handle and have a good degree of specificity. Hence, the given piece of work is intended to design a novel electrochemical sensor incorporating magnetite-based molecularly imprinted polymers. The building materials consisted of a cross-linker (EGDMA), reaction-initiator (AIBN), monomer (methylene succinic acid-MSA), and template molecule (Sunset Yellow-SY dye).

Formulation and evaluation of an ointment from Pinus gerardiana extracts indigenous to Balochistan.

In skin disorders such as microbial and fungal infections, plants and their parts are used. However, there have been very few scientific reports of herbal extracts of the plant Pinus gerardiana to be administered transdermally. The antifungal activity was assessed using poisoned food method against the strains of three pathogenic fungi, namely Alternaria alternata, Curvularia lunata and Bipolaris specifera.

Investigation of Alumina-Doped Gum Grafted Polyaniline Epoxy Resin for Corrosion Protection Coatings for Mild Steel and Stainless Steel.

Eco-friendly inhibitors have attracted considerable interest due to the increasing environmental issues caused by the extensive use of hazardous corrosion inhibitors. In this paper, environmentally friendly PDG-g-PANI/AlO composites were prepared by a low-cost inverse emulsion polymerization for corrosion inhibition of mild steel (MS) and stainless steel (SS). The PDG-g-PANI/AlO composites were characterized by different techniques such as X-ray diffraction (XRD), UV/Vis, and FTIR spectroscopy.

Potential Impacts of Based Natural Gum on Physicochemical Properties of Polyaniline for Corrosion Inhibition of Mild and Stainless Steel.

The lack of an eco-friendly approach towards application of polyaniline as a coating material has been one of the most challenging tasks. Herein, the synthesis of green gum grafted polyaniline (PDG-g-PANI) composite is reported by a cost-effective emulsion polymerization for application as an efficient anti-corrosion material for mild steel (MS) and stainless steel (SS) in a strong corroding environment. The composite formation was confirmed by Ultraviolet Visible (UV-Visible) and Fourier Transformed Infrared (FTIR) spectroscopies.

Developed meloxicam loaded microparticles for colon targeted delivery: Statistical optimization, physicochemical characterization, and in-vivo toxicity study.

The study aimed to fabricate and evaluate Meloxicam (MLX) loaded Hydroxypropyl Methylcellulose (HPMC) microparticles for colon targeting because MLX is a potent analgesic used in the treatment of pain and inflammation associated with colorectal cancer (CRC). Nevertheless, its efficiency is limited by poor solubility and gastrointestinal tracts (GIT) associated side effects. Seventeen formulations of MLX loaded HPMC microparticles were fabricated by the oil-in-oil (O/O)/ emulsion solvent evaporation (ESE) technique.

Core-shell magnetic molecularly imprinted polymer for selective recognition and detection of sunset yellow in aqueous environment and real samples.

Magnetic Molecularly imprinted polymers (MMIPs) have been recently recognized as an exceptional tool for monitoring and decontamination of environmental and biological samples of diverse nature. Based on the potential applications as sorbents and biomimetic sensors, herein, a core-shell magnetic-molecularly imprinted polymer (MMIP) was developed as a selective material for separation and sensing of sunset yellow (SY) dye in an aqueous environment and real samples. The MMIP was synthesized via precipitation polymerization using SY as a template, MAA as a functional monomer (chosen based on simulation studies), EGDMA as a cross-linking agent, and AIBN as an initiator.

Performance Improvement of Gold Electrode towards Methanol Electrooxidation in Akaline Medium: Enhanced Current Density Achieved with Poly(aniline--2-hydroxyaniline) Coating at Low Overpotential.

Electronically conducting poly (aniline--2-hydroxyaniline) (PACHA), a copolymer of aniline and 2-hydroxyaniline (2HA), was electrochemically coated on gold substrate for methanol electrooxidation in alkaline media. The electrochemical behavior of PACHA coated gold electrode towards methanol electrooxidation was investigated via cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) for application in an alkaline fuel cell. Methanol electrooxidation was observed at two different electrode potentials depending on the concentration of the base.

Rational Design of Broadly Absorbing Boron Dipyrromethene-Carbazole Dyads for Dye-Sensitized Solar Cells: A DFT Study.

Structure engineering of boron dipyrromethene (BODIPY) organic dye, to increase its light-harvesting efficiency in dye-sensitized solar cells, has been the subject of rigorous research recently. Herein, we report on the rational designing of BODIPY-carbazole (D-π-A-A) dyads using density functional theory (DFT). The structure of BODIPY-carbazole was first modified by substituting an electron-donating -N(CH) group at the electron-rich carbazole moiety, and two electron-accepting -COOH groups at the BODIPY core.

Solar-driven conversion of carbon dioxide over nanostructured metal-based catalysts in alternative approaches: Fundamental mechanisms and recent progress.

Solar-driven carbon dioxide (CO) conversion has gained tremendous attention as a prominent strategy to simultaneously reduce the atmospheric CO concentration and convert solar energy into solar fuels in the form of chemical bonds. Numerous efforts have been devoted to diverse photo-driven processes for CO conversion, which utilized a multidisciplinary strategy. Among them, the architecture of nanostructured metal-based catalysts is emerging as an eminent solution for the design of catalysts of this field.

Thiol-disulfide exchange reactions occurring at modified bovine serum albumin detected using ellman's reagent (5, 5'-dithiobis (2-itrobenzoic acid).

Bovine serum albumin (BSA) is usually employed as a model protein because of being homologous with human serum albumin. Cysteine-34 of BSA has been oxidised with Ellman's reagent to produce BSA labelled with an Ellman's moiety (BSA-SE). The BSA-SE was then reacted with glutathione, N-acetylcysteine and D-penicillamine (D-pen).

Analgesic and neuropharmacological activities of Berberis lycium Royle collected from district Sherani Balochistan, Pakistan.

Berberis lycium (family Berberidaceae) grows in district Sherani, Balochistan, Pakistan. It is used for the treatment of various disorders by the people of Balochistan. The present work was carried out to explore analgesic and neuropharamcological activities of crude methanolic extracts of B.

Tuning the optoelectronic properties of hematite with rhodium doping for photoelectrochemical water splitting using density functional theory approach.

Hematite (FeO) is one of the best candidates for photoelectrochemical water splitting due to its abundance and suitable bandgap. However, its efficiency is mostly impeded due to the intrinsically low conductivity and poor light absorption. In this study, we targeted this intrinsic behavior to investigate the thermodynamic stability, photoconductivity and optical properties of rhodium doped hematite using density functional theory.

Reduced Graphene Oxide/Poly(Pyrrole--Thiophene) Hybrid Composite Materials: Synthesis, Characterization, and Supercapacitive Properties.

Reduced graphene oxide/poly(pyrrol--thiophene) (RGO/COP), prepared by facile in-situ oxidative copolymerization, is reported as a new hybrid composite material with improved supercapacitance performance as compared to the respective homopolymers and their composites with RGO. The as-prepared hybrid materials were characterized with ultraviolet-visible (UV-Vis) spectroscopy, Fourier-transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive X-ray (EDX) analysis. The electrochemical behavior and energy storage properties of the materials were tested by cyclic voltammetry (CV), galvanostatic charge/discharge (GCD), and electrostatic impedance spectroscopy (EIS) techniques in 0.

Formulation, characterization and in vivo evaluation of Hedera helix L., topical dosage forms.

The purpose of this study was to prepare topical formulations of micro emulsion, gel and ointment containing the Hedera helix L. extracts against asthma and to evaluate the physicochemical characteristics. A validated HPLC method was used for the analysis of blood plasma.

Structural and electronic properties of two-dimensional hydrogenated Xenes.

Structural and electronic properties of pristine two-dimensional group IV Xenes (X  =  C, Si, Ge, Sn, Pb) and hydrogenated Xenes are studied, using density functional theory (DFT) calculations with and without spin-orbit coupling (SOC). The pristine hexagonal monolayer Xenes show buckled structure upon relaxation except graphene. The buckling [Formula: see text] increases linearly from graphene to plumbene.

Extraction, formulation and characterization of an in vitro and ex-vivo evaluation of Thymus serpyllum L. (Thymus oil) from topical preparations using dialysis cellulose membrane and natural rabbit skin.

Herbal remedies like the Thymus serpyllum L. is useful in traditional medicine for the treatment of many diseases especially congestion, and bronchitis. The purpose of this study was to formulate a micro-emulsion, a gel and an ointment containing the plant hydro distilled thymus oil extracted from Thymus serpyllum L.

Basic Blue Dye Adsorption from Water using Polyaniline/Magnetite(FeO) Composites: Kinetic and Thermodynamic Aspects.

Owing to its exciting physicochemical properties and doping-dedoping chemistry, polyaniline (PANI) has emerged as a potential adsorbent for removal of dyes and heavy metals from aqueous solution. Herein, we report on the synthesis of PANI composites with magnetic oxide (FeO) for efficient removal of Basic Blue 3 (BB3) dye from aqueous solution. PANI, FeO, and their composites were characterized with several techniques and subsequently applied for adsorption of BB3.

Dynamically Stable Topological Phase of Arsenene.

First-principles calculations based on density functional theory (DFT) are used to investigate the electronic structures and topological phase transition of arsenene under tensile and compressive strains. Buckling in arsenene strongly depends on compressive/tensile strain. The phonons band structures reveal that arsenene is dynamically stable up to 18% tensile strain and the frequency gap between the optical and acoustic branches decreases with strain.

Spectrophotometric investigation of Glutathione modulation by Thallium chloride in aqueous medium.

Thallium has been shown to significantly influence various tissues of living organisms; Exposure to Thallium can disturb mitochondrial function, degenerate neurons, and interfere with the function of critical metabolic enzymes and co-enzymes. Glutathione (GSH) an essential biomarker is considered a key factor in harnessing the thallium toxicity. In the present study the interaction of Thallium (Thallium Chloride) and glutathione was investigated spectro-photo-metrically in aqueous media.

Multifunctional nanostructured Co-doped ZnO: Co spatial distribution and correlated magnetic properties.

In this report we present a systematic structural and magnetic analysis of Co-doped ZnO nanoparticles prepared via a microwave-assisted hydrothermal route. The structural data confirm the incorporation of Co ions into the wurtzite ZnO lattice and a Co concentration mainly near/at the surface of the nanoparticles. This Co spatial distribution is set to passivate the surface of the ZnO nanoparticles, inhibiting the nanoparticle growth and suppressing the observation of a ferromagnetic phase.

Synthesis, characterization and antihypertensive activity of 2-phenyl substituted benzimidazoles.

Hypertension is one of cardiovascular disease that is not sufficiently prevented and controlled at both hospital and community levels. Hypertension resulted in significant morbidity and mortality. The benz-imidazole ring is very important pharmacophore in modern drug discovery.