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The rapid determination of Dopamine (DA) has robust global desire for high efficacy. In this study the Glibanclamide/Graphene Oxide modified carbon paste electrode (GA/GO/MCPE) was used for the voltammetric detection of DA and Uric acid (UA).The XRD, SEM and EDX technique were utilized for the characterization of procured Graphene Oxide (GO) and GA/GO/MCPE; the modifier brings excellent sensitivity towards detection of DA and UA by CV and LSV techniques. The pH, concentration and sweep rate parameters study were carried out for the detection of DA and UA, the GA/GO/MCPE is applied for the simultaneous determination of DA and UA.

New tetrahydropyrido[3,4-d]pyrimidine derivatives (10a-l) have been facilely synthesized through a series of deprotection, N-substitution and Suzuki coupling reactions. The structure of new compounds was analyzed by interpretations of FTIR, ¹HNMR , ¹³CNMR , and Mass spectral data. The title compounds were screened for their in vitro antimicrobial activity against four bacterial strains: Staphylococcus aureus and Bacillus subtilis as gram-positive bacteria, and Escherichia coli and Pseudomonas aeruginosa as gram-negative bacteria and two fungal strains, namely Candida albicans and Aspergillus niger. Trifluoromethyl substituted analogues 10j and 10k showed promising antibacterial activity compared to Amoxicillin, also p‑hydroxy substituted analogue 10i displayed potent antifungal activity in comparison to Itraconazole. The molecular docking study of 10k against crystal structure of DNA gyrase, scored higher docking score value of -9.4 kca/mL, than Clorobiocin, and envisaged key binding interactions in support to experimental data.

We have developed a new library of isoxazole skeleton having oxazol-4-yl)-1-(pyridin-4-yl)-1H-pyrazole derivatives (9a-j). Further, the biological activity of newly derived compounds (9a-j) was examined against four types of human cancer cell lines like breast cancer (MCF-7), lung cancer (A549), prostate cancer (DU-145) and breast cancer (MDA-MB-231) by employing of MTT assay, and etoposide used as reference drug candidate. The results were expressed with IC₅₀ µM. Most of the tested compounds displayed good to moderate activities on all cell lines. Among them, five derivatives 9a, 9b, 9c, 9d and 9e were possessed more potent activity. Principally, one of the compound 9b showed remarkable activity.

A novel Zn(II) complex, [Zn(2,4-D)₂(en)], has been synthesized via the reaction of zinc acetate with 2,4-dichlorophenoxy acid (2,4-D) and ethylenediamine (en). The complex was characterized entirely by spectroscopic, elemental analysis, and single X-ray crystallography techniques. According to the crystallographic analysis of the metal complex, it was revealed that the structure exhibited a tetrahedral shape, with coordination with two carboxylate oxygen atoms and two nitrogen atoms; those donating atoms come from the 2,4-D and ethyleniamine groups, respectively. Using Density Functional Theory (DFT) with the B3LYP/def2-TZVP basis set, the analysis of the complex provided insights into its electronic structure. The frontier molecular orbitals, with a HOMO at -5.90 eV and a LUMO at -0.53 eV, showed a HOMO-LUMO gap of 5.37 eV, reflecting potential stability and reactivity. Electrostatic potential (ESP) analysis also revealed significant charge distributions, particularly at oxygen atoms, highlighting their importance in stability and intermolecular interactions. Hirshfeld surface analysis elucidated significant intermolecular contacts in the packing, with H•••Cl/Cl•••H interactions being the most prevalent (30.6%), followed by H•••O/O•••H interactions (23.9%). Moreover, thermal decomposition studies illustrated a ca. 60% mass reduction observed in the temperature range of 236-384°C.

We present a high-throughput screening of thiophene (SC₄H_s) on bimetallic (100) surfaces in select adsorption sites. We present the adsorption energies, charge transfer to the S atom, and C-S bond lengths on each of the surfaces studied. We note that thiophene remains intact over the majority of the bimetallic surfaces, only breaking C-S bonds over 33 of the 1131 different surfaces studied. Overall, we note a positive correlation between charge transfer to the S atom and C-S bond lengths. We also report that many of the surfaces experience a large buckling of the first layer of the surface. We have made this dataset publicly available in the hopes that it will aid the search for novel hydrodesulfurization catalysts and aid the progress of employing machine learning in chemistry.

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A new library of chalcone functionality bearing benzothiazol-oxazole-pyrazine (10a-j) derivatives were designed, synthesized and screened for their anticancer activity against four human cancer cell lines such as MCF-7 (breast cancer), A549 (lung cancer), Colo-205 (colon cancer) & A2780 (ovarian cancer) by employing the MTT assay. The results were compared with the etoposide used as a positive control. Most of the tested compounds displayed good to moderate activity compared to etoposide. Among them, compound 10j showed potent anticancer activity against MCF-7, A549, Colo-205, and A2780 cell lines with IC₅₀ values of 0.01 ± 0.0073 µM, 0.03 ± 0.0087 µM, 0.06 ± 0.0066 µM, and 0.13 ± 0.055 µM respectively

The impact of an extract from the Clerodendrum serratum plant on steel corrosion in a sulfuric acid solution was examined using weight loss analysis and electrochemical impedance spectroscopy (EIS). This research delves into the synergistic corrosion inhibition efficiency of Clerodendrum serratum in the presence of KCl. This extract contains Apigenin, Hispidulin, 7- hydroxyflavanone, Oleanolic acid, β-sitosterol, Campesterol, Stigmasterol, Ursolic acid, Serratin, Spinasterol, Queretaroic acid etc. The anti-corrosive properties of this extract are primarily attributed to the presence of numerous bonds and heteroatoms in its phytochemical composition. Instrumentation such as UV analysis provides detailed insights into molecular interactions, aiding in the understanding of inhibitive mechanisms. The effectiveness of corrosion inhibition improves as the concentration of plant extract is raised up to 3000 ppm. Utilizing Potentiodynamic polarization (PDP) examination, achieving 88.6 % efficiency without KCl and 93.05 % in the presence of KCl demonstrates a comprehensive approach for improving protective characteristics in practical applications.

A total of Twenty two (22) derivatives of benzohydrazide bearing Schiff base have been synthesized, characterized through ¹HNMR, ¹³C NMR and screened against cholinesterase inhibitory potentials. All the adducts (1–22) showed varying degree of cholinesterase inhibitory potential IC₅₀ ranging between 13.23 ± 0.02 to 59.09 ± 1.22 µM against acetylcholinesterase, with IC₅₀ values ranging from 23.55 ± 0.32 to 61.55 ± 0.58 µM against butyrylcholinesterase. Among the series analogs 1, 3, 8, 12, 14, 15, 17, 18 and 22 with IC₅₀ values 20.05 ± 0.13, 17.32 ± 0.15, 14.32 ± 0.97, 23.33 ± 0.56, 18.02 ± 0.09, 19.05 ± 0.13, 15.11 ± 0.23, 13.23 ± 0.02, and 22.57 ± 0.09 µM respectively showed excellent inhibitory potential against acetylcholinesterase and with IC₅₀ values 31.46 ± 0.98, 26.06 ± 0.08, 25.33 ± 1.49, 30.12 ± 0.78, 28.11 ± 0.5, 29.33 ± 0.19, 25.37 ± 0.47, 23.55 ± 0.32 and 33.12 ± 0.78 against butylcholinesterase as compared to the standard Galanthamine. All other analogs showed moderate inhibitory potential. A structure-activity relationship has been established for all compounds. Through molecular docking studies, the interactions between compounds with the enzyme active sites were confirmed.

This work investigates the possibility of using expired Febuxostat, a drug mainly used to treat gout, as a corrosion inhibitor for steel in solutions containing Hydrochloric acid (HCl), which is an unusual but potentially successful approach. The goal of this research is to recycle pharmaceutical waste for useful purposes while also meeting the requirement for sustainable and economical corrosion mitigation techniques. The study includes various analytical techniques, like SEM, weight loss, electrochemical techniques, and density functional theory (DFT) to evaluate the efficacy of expired febuxostat as a corrosion inhibitor for steel in 0.5 M HCl solution. The EIS and PDP curve results showed a direct correlation between the concentration of Febuxostat and the inhibition efficiency. The active center of the electrode surface is blocked by the drug molecules, which reduces the corrosion mechanism. The data from the Langmuir adsorption isotherm validates a physiochemical process. Moreover, SEM investigations show that steel has a smoother surface. The adsorption behavior of Febuxostat molecules on the steel surface is investigated, providing insight into the chemical mechanisms underlying the inhibitory effect.