New Ni (II) and Cu (II) complexes with pyridoxal-semicarbazone were synthesized and their structures were solved by X-ray crystallography. This analysis showed the bis-ligand octahedral structure of [Ni(PLSC-H)₂]·H₂O and the dimer octahedral structure of [Cu(PLSC)(SO₄)(H₂O)]₂·2H₂O. Hirshfeld surface analysis was employed to determine the most important intermolecular interactions in the crystallographic structures. The structures of both complexes were further examined using density functional theory and natural bond orbital analysis. The photocatalytic decomposition of methylene blue in the presence of both compounds was investigated. Both compounds were active toward E. coli and S. aureus, with a minimum inhibition concentration similar to that of chloramphenicol. The obtained complexes led to the formation of free radical species, as was demonstrated in an experiment with dichlorofluorescein-diacetate. It is postulated that this is the mechanistic pathway of the antibacterial and photocatalytic activities. Cyclic voltammograms of the compounds showed the peaks of the reduction of metal ions. A molecular docking study showed that the Ni(II) complex exhibited promising activity towards Janus kinase (JAK), as a potential therapy for inflammatory diseases, cancers, and immunologic disorders.

New complex Co(III) with ligand Pyridoxal-S-methyl-isothiosemicarbazone, (PLITSC) was synthesized. X-ray analysis showed the bis-ligand octahedral structure of the cobalt complex [Co(PLITSC-H)₂]BrNO₃·CH₃OH (compound 1). The intermolecular interactions governing the crystal structure were described by the Hirsfeld surface analysis. The structure of compound 1 and the corresponding Zn complex (([Zn(PLTSC)(H₂O)₂]SO₄·H₂O)) were optimized at the B3LYP/6–31 + G (d,p)/LanL2DZ level of theory, and the applicability was assessed by comparison with the crystallographic structure. The natural bond orbital analysis was used for the discussion on the stability of formed compounds. The antibacterial activity of obtained complexes towards S. aureus and E. coli was determined, along with the effect of compound 1 on the formation of free radical species. Activity of compound 1 towards the removal of methylene blue was also investigated. The voltammograms of these compounds showed the reduction of metal ions, as well as the catalyzed reduction of CO₂ in acidic media.

Diabetes is a significant global health concern that increases the vulnerability to various chronic illnesses. In view of this issue, the current research aimed to examine the effects of administering an extract derived from the tubers of Cyperus rotundus L (CrE) on obesity, type 1 diabetes, and liver-kidney toxicity. Through the utilization of HPLC-DAD analysis, it was discovered that the extract contained several components, including quercetin (47.8%), luteolin glucoside (17%), luteolin (7.56%), apigenin-7-glucoside (6.29%), naringinin (4.52%), and seven others. In vitro experiments they have demonstrated that CrE effectively inhibited key digestive enzymes associated with obesity and type 2 diabetes, such as DPP-4, PTP1B, lipase, and α-amylase, as evidenced by their respective IC50 values are about 23, 51,83, and 67 μg/ml respectively. Furthermore, when diabetic rats were administered CrE, the activity of pancreatic enzymes linked to inflammation, namely 5-lipoxygenase (5-LO), hyaluronidase (HAase), and myeloperoxidase (MPO), was significantly suppressed by 48, 41, 75, and 47%, respectively. Moreover, CrE exhibited protective effects on pancreatic β-cells by inhibiting the formation of thiobarbituric acid reactive substances (TBARS) by 65% and the induction of superoxide Dismutase (SOD), catalase (CAT) and glutathione peroxidase (GPX) activities by 62, 108, and 112% respectively as compared to diabetic untreated rat. Additionally, CrE significantly inhibited the activities of intestinal, pancreatic, and serum lipase and α-amylase activities. In diabetic rats, CrE administration suppressed glycogen phosphorylase (GP) stimulated glycogen synthase (GS) activities by 45 and 30%; and this increased liver glycogen content by 45%. Furthermore, CrE modulated key hepatic enzymes involved in carbohydrate metabolism, including hexokinase (HK), glucose-6-phosphate dehydrogenase (G6PD), glucose-6-phosphatase (G6P), and fructose-1,6-bisphosphatase (FBP). Notably, the average food and water intake (AFI and AWI) of diabetic rats treated with CrE was reduced by 15 and 16% respectively as compared to those without any treatment. Therefore, this study demonstrated the effectiveness of Cyperus rotundus tubers in preventing and treating obesity and diabetes.

In a sustained search for novel potential drug candidates with multispectrum therapeutic application, a series of novel spirooxindoles was designed and synthesized via regioselective three-component reaction between isatin derivatives, 2-phenylglycine and diverse arylidene-imidazolidine-2,4-diones (Hydantoins). The suggested stereochemistry was ascertained by an X-ray diffraction study and NMR spectroscopy. The resulting tetracyclic heterocycles were screened for their in vitro and in vivo anti-inflammatory and analgesic activity and for their in vitro antimicrobial potency. In vitro antibacterial screening revealed that several derivatives exhibited remarkable growth inhibition against different targeted microorganisms. All tested compounds showed excellent activity against the Micrococccus luteus strain (93.75 µg/mL ≤ MIC ≤ 375 µg/mL) as compared to the reference drug tetracycline (MIC = 500 µg/mL). Compound 4e bearing a p-chlorophenyl group on the pyrrolidine ring exhibited the greatest antifungal potential toward Candida albicans and Candida krusei (MIC values of 23.43 µg/mL and 46.87 µg/mL, respectively) as compared to Amphotericin B (MIC = 31.25 and 62.50 µg/mL, respectively). The target compounds were also tested in vitro against the lipoxygenase-5 (LOX-5) enzyme. Compounds 4i and 4l showed significant inhibitory activity with IC₅₀ = 1.09 mg/mL and IC₅₀ = 1.01 mg/mL, respectively, more potent than the parent drug, diclofenac sodium (IC₅₀ = 1.19 mg/mL). In addition, in vivo evaluation of anti-inflammatory and analgesic activity of these spirooxindoles were assessed through carrageenan-induced paw edema and acetic acid-induced writhing assays, respectively, revealing promising results. In silico molecular docking and predictive ADMET studies for the more active spirocompounds were also carried out.

Heavy metal ions bioaccumulation can cause severe damage to environment and human health. Hence, the development of an effective detection assay of trace amounts of these ions is of great importance. Here, CdTe quantum dots (QDs) capped with mercaptosuccinic acid (MSA) ligands have been synthesized in aqueous solution with significant stability and good fluorescence properties. Photophysical characterization was performed using FTIR, XRD, HRTEM and UV–Vis. Absorption, PL and PLRT techniques, seeking their subsequent application as fluorescent probes for metal cations. CdTe-MSA QDs showed selective sensitivity toward Hg²⁺ ions by monitoring quantitative fluorescence quenching with increasing analyte content. Under optimal conditions, the linear range for the detection was 0.2–6 μM with a detection limit of 0.05 μM. According to the Stern–Volmer model, it can be inferred that a static quenching mechanism via Hg²⁺ selective binding to MSA carboxylate groups is operating with electron transfer process. Excess of mercuric ions further decreased and red shifted the fluorescence possibly due to competitive cation exchanges. To further explain the corresponding ligation mechanisms, adsorption behavior study was conducted via several isotherms as well as statistical physics models. The pseudo-first-order model can describe the adsorption kinetics of Hg²⁺ on CdTe-MSA QDs more accurately and the experimental data fitted well the Langmuir isotherm model of monolayer adsorption on homogeneous surface. Furthermore, this spontaneous process conforms to the Hill model as a physisorption with an adsorption energy of 32 kJ.mol⁻¹ associated with the electrostatic interactions and hydrogen bonding. The developed system was assayed in the Hg²⁺ trace amount detection in real tap water and showed satisfactory accuracy performance meeting analytical requirements. The relevant results demonstrated that CdTe-MSA QDs could be deployed as promising Hg²⁺ fluorescent chemosensing system with high sensitivity and selectivity over wide linear detection range that have great potential for real water samples analysis.

Analytical chemistry research has shifted towards environmentally friendly substitutes that reduce waste and avoid hazardous substances. These efforts align with broader environmental goals and inspire sustainable and responsible science. The objective of this work is to develop and validate an analytical method and verify its greenness using specific tools, including analytical GREEnness (AGREE), analytical greenness metric for sample preparation (AGREEprep), green analytical procedure index, complex green analytical procedure index, analytical Eco-Scale, analytical method volume intensity, analytical method greenness score, and HPLC-EAT (Environmental Assessment Tool). Effective treatment of chronic cough relies heavily on adequately utilizing salbutamol (SAL) and guaifenesin (GUA) in the presence of sodium benzoate (SOB) preservative. The isocratic elution mode used the Zorbax Eclipse Plus C18 column (15 cm × 4.6 mm, 3.5 µm). It could move 1.5 mL·min ⁻¹ , hold 50 µL, have a column temperature of 30°C, and have an autosampler temperature of 5°C. It could detect UV light at 276 nm and had a mobile phase of 80:20 v/v buffer solution and acetonitrile. We have successfully established highly accurate calibration curves for the three components SAL, GUA, and SOB within the optimal range of 2–50 µg·mL ⁻¹ . The coefficient of correlation ( r ) for these curves was at an impressive 0.9999 for SAL and GUA, while it was 0.9998 for SOB. The recovery values were 100.15%, 100.47%, and 100.92% for SAL, GUA, and SOB, respectively. The selectivity and sensitivity to the ingredients were confirmed according to the International Council for Harmonisation guidelines, as no interference occurred from any of the used sample components. We implemented Six Sigma, resulting in precision and productivity.