The present study was conducted to evaluate the feasibility of apatitic tricalcium phosphate with a Ca/P ratio of 1.50 for the adsorption of phenol and tyrosine from aqueous solutions. The adsorbent was synthesized at room temperature using an aqueous double decomposition method and characterized through physicochemical methods. Batch adsorption studies were conducted as a function of contact time, initial adsorbate concentration, temperature, and pH. The adsorption kinetics of phenol and tyrosine were well fitted to the pseudo-second-order model. The maximum adsorption capacity was found to be 5.56 mg/g for phenol and 9.65 for tyrosine mg/g at 298 K. The adsorption of phenol and tyrosine was well explained using the Langmuir, Freundlich, Temkin, and Dubinin-Radushkevick models. The Langmuir model is the most suitable, with a maximum monolayer adsorption capacity of 7.32 mg/g for phenol and 11.43 mg/g for tyrosine at 298 K. The thermodynamic parameters indicate that the adsorption process is favorable, spontaneous, exothermic, and controlled by physisorption with electrostatic interactions between compounds containing the phenolic group and apatite. The results of this study have demonstrated the potential utility of apatitic tricalcium phosphate, which could be developed into a viable technology for the adsorption of compounds containing the phenolic group from aqueous solutions.

In this work we report, aluminized polyborate catalyzed facile and efficient one-pot four component Hantzsch synthesis of 1,8-dioxo-decahydroacridines using substituted aromatic aldehydes (1 mmol), dimedone (2 mmol) and ammonium acetate (1.5 mmol) at 95-100oC under solvent-free condition. The prominent advantages of this methodology are good product yields (85-95%), eco-friendliness, mild reaction conditions and use of inexpensive catalyst. The structures of the targeted molecules were examined by FT-IR, 1H-NMR and mass spectral techniques.

Science and technology of nanosized bimetallic oxide nanomaterials records the various properties and applications. Especially biomedical applications are viewed in particular due to its nanosized particle size. The present experimentation is reporting the microwave-assisted synthesis of nanosized bimetallic oxides like copper ferrite (CuFe2O4) and barium titanate (BaTiO3) by solid state combustion route using poly (vinyl alcohol) (PVA) as a fuel. The structural and morphological characterizations of the bimetallic oxide nanomaterials are performed out by X-ray diffraction (XRD) and scanning electron micrograph (SEM) tools respectively. These analyses report the crystalline nature of both samples. EDX spectral study is also undertaken to know the existence of different metals in the above-mentioned samples. Bonding nature of the bimetallic oxide samples were readied by Fourier transfer infrared (FT-IR) instrumentation. The study reviewed the varied vibrational modes confirms the phase formation of the samples. UV-Vis and thermal study of these bimetallic oxide samples are also studied extensively to know the thermal and absorption behavior respectively. TGA of both the samples are traced and are showing decomposition at rapid rate. In addition, the maximum absorption peaks due to π - π* transition confirms the sample formation. Antimicrobial activity of the prepared oxide samples was studied for antibacterial and antifungal behavior. Both samples showing considerable activity against various bacteria and fungi.

An isocratic HPLC technique was exploited and validated for the quick simultaneous separation and measurement of cefotaxime and paracetamol in vials dosage forms, with a total analysis time of 3 minutes. The process of separation was carried out on a Thermo Scientific® Venusil XBPC18 (L) (5µm, 4.6x250 mm) using a mobile phase of ACN: distilled water (70:30, v/v) at the ambient temperature. The flow rate used in the experiment was 1 mL/min, and the highest level of absorption was determined by high-performance liquid chromatography with photodiode array detection (HPLC-PDA) employing a PDA detector set at a wavelength of 255 nm. The established retention times for cefotaxime and paracetamol were 1.79 and 2.97 minutes, respectively, suggesting reduced analysis duration. The observed limits of detection for ceftaxime and paracetamol were 4.2×10-5 and 1.2×10-5 µg/mL, respectively, indicating a significant level of sensitivity in the approach. The approach was subsequently verified in accordance with the requirements set out by the Food and Drug Administration (FDA) for the quantification of medicines in vial dosage form.

In this work, ribonucleoside products have been prepared by employing stannic tetrachloride (SnCl4) and natural phosphate as catalysts. The obtained result suggests that this catalyst facilitates the reactions of ribonucleoside-like products in a stereo-controlled manner, exhibiting β-selectivity when reacting with trimethylsilyl uracil, the ribonucleosides derivatives were obtained in suitable yields. In addition, we have performed the molecular docking analysis, demonstrated that the synthesized compounds have potential for antiviral activity against the omicron variant of coronavirus, and the D3, D4, E and F products have a higher binding energy than the molnupiravir drug, indicating that these products may be a probable drugs for the omicron variant.

Methyl α-D-mannopyranoside (MAM) is a naturally occurring carbohydrate derivative that has gained attention in drug discovery due to its potential therapeutic applications, particularly as an antifungal agent. In this study, we employed a computational approach to investigate the interactions between MAM and two Candida albicans antifungal proteins, 1IYL and 1AI9, through molecular docking simulations. Furthermore, we performed a PASS (Prediction of Activity Spectra for Substances) analysis to predict MAM potential biological activities, explored the pharmacokinetic properties and ADMET (absorption, distribution, metabolism, excretion, and toxicity) profiles, and optimized the MAM using the density functional theory (DFT) method. The molecular docking results revealed favorable binding interactions between MAM and the active sites of the 1IYL and 1AI9 proteins, suggesting potential antifungal activity. Additionally, the ADMET profiles indicated low toxicity and suitable drug-like properties, such as moderate metabolic stability and minimal risk of adverse effects. Furthermore, DFT optimization was performed to investigate the molecular geometry and electronic properties of MAM. The optimization results provided valuable information on the stability and reactivity of MAM, enabling a better understanding of its chemical behavior and potential modifications for enhanced activity. Finally, PASS prediction was employed to evaluate MAM's potential biological activities beyond its antifungal properties. The analysis revealed several potential activities, including antibacterial, antiviral, and immunomodulatory effects, expanding the scope for future research and therapeutic applications. In conclusion, this computational study sheds light on the molecular interactions, pharmacokinetic properties, ADMET profiles, DFT optimization, and PASSES predictions of MAM. These findings highlight the potential of MAM as a promising antifungal agent with favorable pharmacological properties.

The nitrovinyl moiety is surely one of the most reactive fragments in organic chemistry, continuously employed to explore original pathways and reach new targets. One of the most important classes of chemicals containing this fragment are nitro-functionalised analogues of 1,3-butadiene. In this paper a comprehensive review study of these compounds is performed. The manuscript includes an analysis of physicochemical properties, spectral characteristic, synthesis, biological activity, and possible transformations of nitro substituted analogues of 1,3-butadiene. The analysis was divided into several parts, depending on the number of nitro groups included in the structure of a 1,3-butadiene analogue. In addition, the work includes information about hazards and safety principles when working with nitro compounds. Based on the analysis of the literature, it can be concluded that nitro-functionalised analogues of 1,3-butadiene exhibit diversified profile of properties, and an outstanding potential as valuable reagents in organic synthesis useful to obtain heterocycles that can be applied in medicine.

The global water crisis requires effective wastewater treatment methods where conventional approaches often face challenges related to cost, recyclability, efficiency, and overall effectiveness. In this regard, the significantly small size, large surface area, and enhanced photocatalytic properties of recently developed nanoparticles have opened new avenues for wastewater treatment. This comprehensive review focuses on recent advancements in the synthesis methods for different types of nanoparticles and nanocomposites based on metals, carbon, polymers, waste materials, and zeolites which have highly sustainable and innovative results in wastewater treatment. The introduction of silver and gold nanoparticles has enhanced photocatalytic and biological activities. Similarly, zeolite and seaweed composites have exhibited efficient dye degradation capabilities. Eco-friendly carbon soot nanoparticles have shown promising biological activities, while nitrogen-doped carbon quantum dots have exhibited long-term stability for various applications. Additionally, waste material-based calcium oxide nanoparticles and carbon quantum dot-carbon nanotube nanocomposites have also shown enhanced dye degradation activities.

Metal-organic frameworks (MOFs) are a relatively new class of materials of unique porous structures and exceptional properties. Currently, more than 110,000 types of MOFs have been reported among the countless possibilities. In this study, we have synthesised a novel MOF using zirconium chloride as the metal source and 4,4'-dicarboxy-2,2'-biquinoline (bicinchoninic acid disodium salt) as the linker, which reacted in N,N-Dimethylformamide (DMF) solvent. Three preparation methods were employed to prepare five types of the MOF, and they were compared to optimize the synthesis conditions. The resulting MOFs, named Zr-BADS, were characterised using scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), microscopy, and X-ray diffraction (XRD). By incorporating methanol into the preparation solvent, the surface area was increased to 396 m2/g. Additionally, the prepared MOFs exhibited amorphous shapes, with variations in size depending on the synthesis method. This research demonstrates the significance of the preparation method in controlling resulting particles’ properties.

The inhibiting effect of chloroquine compounds (ChCs) on the SARS-CoV-2 virus represents a highly debated form of study owing to the emerging proposals of mechanistic implications for exploring the mode of action of ChCs on the virus. Keeping in view the emerging significance of chloroquine derivatives, the present study was performed to screen one hundred and ninety known chloroquine derivatives for their interaction with several SARS-CoV-2 target proteins by molecular docking and molecular dynamics simulations to obtain an in-depth understanding of the potential hits of these compounds against SARS-CoV-2. A total of 190 molecules from the chloroquine family were screened for the identification of potential new inhibitors of the three therapeutic target proteins of SARS-CoV-2, namely Mpro (master protease), PLpro (papain-like protease) and SGp-RBD (spike glycoprotein receptor binding domain). The ChCs bound to SARS-COV-2 Mpro, PLpro, and SGp-RBD were generated by molecular docking and molecular dynamics simulations. Herein, a comparative analysis of chloroquine family products and a well-known drug against SARS-CoV-2, called Remdesivir, has also been presented. This investigation is intended to study the mechanism of interaction between ChCs and the SARS-CoV-2 virus and explore the unprecedented areas associated with the inhibitory activity of ChCs against this virus.