Results in Chemistry最新文献

{"title":"Molecular-level fluorescence engineering in N-doped graphene quantum dots: electronic–interfacial coupling and emergent photophysics","authors":"Seif Al Bustanji,&nbsp;Hasanain Amer Naji,&nbsp;R. Roopashree,&nbsp;Ahmed Aldulaimi,&nbsp;Sara Abdalkahar Sleeman,&nbsp;Rasulbek Eshmetov,&nbsp;Abduvali Sottarov,&nbsp;Monika Verma,&nbsp;Ahmad Amiri","doi":"10.1016/j.rechem.2026.103745","DOIUrl":"10.1016/j.rechem.2026.103745","url":null,"abstract":"<div><div>Molecular-level fluorescence behavior in nitrogen-doped graphene quantum dots (N-GQDs) arises from a complex interplay between electronic reconstruction, surface chemistry, and interfacial environmental coupling rather than isolated structural parameters. This review examines how heteroatom integration reshapes π-conjugated networks, defect landscapes, and excitonic relaxation pathways, leading to emergent photophysical regimes that cannot be explained by conventional quantum confinement models alone. Particular emphasis is placed on the dual role of nitrogen and co-dopants in modulating local electronic density, introducing heterogeneous emissive states, and enabling tunable radiative and nonradiative transitions. In parallel, surface functionalization is identified as a dynamic regulator of exciton–interface interactions, where molecular-scale chemical groups and environmental species collectively govern fluorescence stability, sensitivity, and reversibility. The analysis further highlights how interfacial charge transfer, defect-assisted recombination, and coordination-driven processes converge to produce application-dependent fluorescence modulation across sensing, chemiluminescence, and hybrid optoelectronic systems. By integrating recent advances into a unified mechanistic framework, this work establishes molecular fluorescence as an emergent electronic–chemical phenomenon rather than a static material property. Finally, key limitations in predictive control, structural reproducibility, and structure–property decoupling are discussed, outlining future directions toward programmable and application-specific fluorescence engineering in heteroatom-doped GQD systems.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103745"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Toxic elements and emerging contaminants in mining environments: synthesis of contamination pathways, bioavailability controls, and emerging remediation approaches","authors":"Isaac Olajide Areo,&nbsp;Moyinoluwa Elizabeth Adebule,&nbsp;Michael Junior Falola,&nbsp;Thompson Faraday Ediagbonya","doi":"10.1016/j.rechem.2026.103778","DOIUrl":"10.1016/j.rechem.2026.103778","url":null,"abstract":"<div><div>Mining remains vital to global development but releases persistent toxic elements into the environment through extraction, smelting, and waste disposal. Despite advances in remediation, contamination by lead (Pb), cadmium (Cd), arsenic (As), mercury (Hg), and chromium (Cr) continues to endanger ecosystems and human health. This review synthesizes recent findings on the behavior of these elements in mining-impacted environments and evaluates emerging mitigation strategies. Focusing on base-metal, gold, and coal mining, the study examines environmental pathways, geochemical transformations, bioavailability, and sustainable remediation frameworks. A systematic literature synthesis based on Scopus and Web of Science sources (2000–2025) identified dominant contamination patterns, bioavailability drivers, and remediation performance trends. Quantitative evaluations indicate that advanced adsorption processes achieve removal efficiencies exceeding 90% for Pb and Cd, while biochar amendments reduce metal mobility by up to 65% in field trials. Cr(VI) showed significant solubility under acidic and oxidizing conditions, while Pb and Cd strongly adsorbed to clays and organic matter. Acid mine drainage accounted for most metal mobilization across reviewed cases. Metal bioavailability was largely influenced by pH, redox potential, and organic content, leading to bioaccumulation, biomagnification, and associated toxicities. Unlike previous reviews limited to remediation techniques, this work integrates geochemical speciation, bioavailability dynamics, and sustainability principles, offering a novel framework that optimizes cost, reliability, and long-term performance. It advances a circular-economy approach linking green remediation, waste valorization, and environmental monitoring for post-mining recovery. Policies should strengthen geochemical risk assessment, encourage eco-innovation, and promote nanotechnology-based remediation integrated with real-time monitoring for long-term ecosystem restoration. Future aspects of this research must prioritize the scalable recovery of critical battery metals and the integration of artificial intelligence for predictive environmental management.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103778"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854555","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Integrative GC–MS, in silico, and in vitro evaluation of the synergistic anticancer effects of Holothuria lessoni extract and low-dose cisplatin on MCF-7 cell line","authors":"Supandi,&nbsp;Irena Ujianti,&nbsp;Tahyatul Bariroh","doi":"10.1016/j.rechem.2026.103751","DOIUrl":"10.1016/j.rechem.2026.103751","url":null,"abstract":"<div><h3>Background</h3><div>Breast cancer is the most prevalent form of cancer affecting women worldwide, and the management is often hindered by chemoresistance, reduced drug responsiveness, and high recurrence rates under standard cisplatin therapy. This study is evaluated the anticancer potential of low-dose cisplatin combined with ethanol extract of <em>Holothuria lessoni</em> (HLE), using integrative in silico and in vitro approaches.</div></div><div><h3>Methods</h3><div><em>Holothuria lessoni</em> specimens were extracted with ethanol by GC–MS (gas chromatography–mass spectrometry). Putative bioactive compounds were subjected to network pharmacology and molecular docking against AKT1. In vitro, cytotoxicity of HLE alone and combined with a fixed sub-IC₅₀ dose of cisplatin (5 μM) was evaluated in MCF-7 breast cancer cells using a resazurin assays. Synergism was assessed by Chou–Talalay analysis.</div></div><div><h3>Results</h3><div>GC–MS identified 25 bioactive compounds in HLE, predominantly steroids, fatty acid derivatives. Network pharmacology revealed AKT1, MAPK3, and STAT3, as key targets, with Cholest-5-en-3-ol and Ergosta-5,22-dien-3-ol showing high-affinity binding to AKT1. HLE inhibited MCF-7 viability in a dose-dependent manner with an IC₅₀ = 600 μg/mL. Co-treatment with cisplatin 5 μM reduced the IC₅₀ of HLE to 100 μg/mL. Chou–Talalay analysis yielded a combination index (CI) of 0.368 at ED₅₀.</div></div><div><h3>Conclusion</h3><div>The ethanol extract of <em>Holothuria lessoni</em> enhanced cisplatin cytotoxicity in MCF-7 cells through synergistic effects at sub-IC50 concentrations. In silico findings indicate that this chemosensitization is primarily mediated by the potential inhibition of AKT1 signaling. These studies support HLE as a promising candidate for combination therapy, though further biochemical validation is required.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103751"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Folic acid-functionalized Exemestane-loaded chitosan nanoparticles: Synthesis, characterization and enhanced cytotoxicity against MCF-7 breast cancer cells","authors":"Safa Adrees,&nbsp;Asma Irshad,&nbsp;Uzair Ishtiaq,&nbsp;Qudsia Mushtaq,&nbsp;Aamir Shahzad Saddozai,&nbsp;Nicolas Joly,&nbsp;Patrick Martin,&nbsp;Rabbia Jawad,&nbsp;Tahira Batool","doi":"10.1016/j.rechem.2026.103781","DOIUrl":"10.1016/j.rechem.2026.103781","url":null,"abstract":"<div><div>The development of biocompatible and potent nanocarriers is demanded for improved therapeutics and reduced dosage of anticancer drug for breast cancer treatment. In this study, ionic gelation method was used to synthesize chitosan nanoparticles subsequently loaded with Exemestane and conjugated with folic acid (EXM-CS-FA). This nanoconjugate was characterized through UV–Vis spectroscopy, FT-IR, zeta-sizer, SEM-EDX, and XRD and then subjected to drug formulation and characterization through encapsulation efficiency assay, drug release assay, biocompatibility analysis through hemolysis assay, MTT assay and DNA damage assay, and antioxidant potential analysis through DPPH assay. The study findings have shown UV–Vis characteristic peaks at 209 nm, 250 nm and 285 nm confirming the presence of chitosan NPs, Exemestane, and folic acid in nanoconjugate with hydrodynamic diameter 540 nm through zeta-sizer. FT-IR spectrum of EXM-CS-FA showed various broad and sharp peaks at 3797, 3605, 3309, 3138, 2674, 1572, 1062, and 877 cm⁻¹ while SEM-EDX profile showed smooth morphology with strong interactions of drug and NPs. The XRD spectrum showed distinct peaks at 2θ of 12°, 18°, 23°, and 26°, which defined plane, indexed at (020), (110), (120,200). The drug formulation showed high encapsulation efficiency i.e. 73.0 ± 1.5% of chitosan NPs with pH responsive drug releasing potential while hemolysis assay revealed strong biocompatible nature of EXM-CS-FA with reduced IC₅₀ value 41.67 μg/mL indicating its excellent cytotoxic nature for cancer cells and negligible DNA damage in human body. The DPPH assay revealed dose-dependent antioxidant potential of nanoconjugate and achieved maximum i.e. 67 ± 0.8% at 400 μg/mL. Overall, these results highlighted the importance of chitosan NPs as a promising nanocarrier with enhanced activity for breast cancer therapy, combining its biocompatibility, non-genotoxicity for healthy cells with enhanced cytotoxicity for tumor cells. However, further safety assessments, preclinical evaluation and in vivo studies required for clinical applicability.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103781"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854574","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lepidocrocite titanate nanostructures for wound healing: In vitro cytotoxicity, antibacterial activity, and mechanistic evaluation","authors":"Tarnita Kaewmanee,&nbsp;Tosapol Maluangnont,&nbsp;Wipawadee Sianglum,&nbsp;Wiwit Suttithumsatid,&nbsp;Wanwipha Woonnoi,&nbsp;Chanachinat Booraphet,&nbsp;Pennapa Chonpathompikunlert,&nbsp;Supita Tanasawet,&nbsp;Wanida Sukketsiri","doi":"10.1016/j.rechem.2026.103769","DOIUrl":"10.1016/j.rechem.2026.103769","url":null,"abstract":"<div><div>This study investigated the antibacterial activity of lepidocrocite-type titanate nanostructures—specifically small-sized nanorods (ST) and large-sized nanosheets (LT) with lateral dimensions of approximately 140 and 660 nm, respectively—as well as their cytotoxicity, and wound-healing potential in HaCaT keratinocytes. Cytotoxicity, apoptosis, and intracellular reactive oxygen species (ROS) generation were evaluated using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT), Hoechst 33342 staining, and 2′,7′-dichlorodihydrofluorescein diacetate (DCFH-DA) assays, respectively. Wound healing activity was assessed using scratch wound healing and transwell migration assays. The formation of filopodia and lamellipodia was examined by phalloidin-rhodamine staining, while migration-related signaling proteins were analyzed by western blotting. ST showed stronger antibacterial activity than LT, with minimum inhibitory concentrations (MICs) of 64–256 μg/mL and minimum bactericidal concentration (MBC) of 512 μg/mL, against <em>Staphylococcus aureus</em> ATCC 29213 and <em>Escherichia coli</em> ATCC 25922. Both ST and LT exhibited no significant cytotoxicity toward HaCaT cells at concentrations ranging from 0 to 10 μg/mL following 24–72 h exposure. In addition, treatment with ST and LT did not significantly induce apoptotic cell death or increase intracellular ROS levels compared with the control group. Scratch wound healing assays demonstrated that ST and LT at concentrations of 0.01, 0.1, and 1 μg/mL significantly enhanced wound closure compared with the control group. In the transwell migration assay, all tested concentrations of ST and LT significantly promoted HaCaT cell migration. Furthermore, treatment with both ST and LT significantly increased phalloidin fluorescence intensity, indicating enhanced actin filament organization associated with filopodia and lamellipodia formation. Mechanistically, ST and LT significantly modulated the expression of migration-related proteins, including phosphorylated extracellular signal-regulated kinase (ERK), phosphorylated p38, Ras-related C3 botulinum toxin substrate 1 (Rac1), and cell division control protein 42 homolog (Cdc42). Collectively, these findings suggest that lepidocrocite titanate nanostructures promote keratinocyte migration and wound healing-related responses regardless of their different sizes and shapes without inducing significant cytotoxic effects. The wound healing activity of ST and LT may involve activation of mitogen-activated protein kinase (MAPK) signaling pathways and Rho GTPase-mediated cytoskeletal remodeling.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103769"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854593","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dual enzyme-mimetic activity of Co-LDH nanozyme: Intrinsic catecholase- and oxidase-like activities with superior substrate affinity","authors":"Hamed Mohtasham,&nbsp;Abdollah Salimi,&nbsp;Rahman Hallaj,&nbsp;Sadegh Rostamnia","doi":"10.1016/j.rechem.2026.103757","DOIUrl":"10.1016/j.rechem.2026.103757","url":null,"abstract":"<div><div>Nanozymes are considered stable and efficient alternatives to natural enzymes, showing enormous potential in the catalysis of oxidation reactions such as the oxidation of catechols. In this regard, a Co-based layered double hydroxide (Co-LDH) nanozyme was synthesized using a modified solvothermal method. The as-prepared Co-LDH shows a well-defined two-dimensional nanosheet structure with ultrathin edges and a porous structure, uniform elemental distribution, and mixed valence states of Co²⁺ and Co³⁺, as obtained from detailed characterization. The nanozyme has intrinsic oxidase-like activity, which enables the oxidation of 3,3′,5,5′-tetramethylbenzidine (TMB) in a manner dependent on oxygen but independent of H₂O₂. Steady-state kinetics showed high affinity for TMB, manifested as a low Michaelis constant (K_m = 11.06 μM). Notably, Co-LDH exhibits excellent catechol oxidase-like activity toward natural catechol-containing substrates like quercetin, dopamine, and catechin, with very low K_m values of 0.014 μM, 0.071 μM, and 0.196 μM, respectively. These values indicate substantially enhanced substrate-binding affinity compared to many previously reported nanozymes and even natural enzymes. Collectively, these findings highlight the multi-enzyme mimetic behavior and high catalytic efficiency of Co-LDH, underscoring its promising potential for applications in biosensing, biomedical diagnostics, and environmental catalysis.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103757"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of a high-throughput assay format to identify inhibitors of HAX1–CLPB interaction","authors":"Yanxin Fan,&nbsp;Vinay Dahiya,&nbsp;Deep Chatterjee,&nbsp;Martin Fleck,&nbsp;Jonas Aretz,&nbsp;Felix Nagel,&nbsp;Klaus Maskos,&nbsp;Debora Lika Konz Makino,&nbsp;Jonas Noeske,&nbsp;Susanne Pangratz-Fuehrer,&nbsp;Christoph Klein","doi":"10.1016/j.rechem.2026.103765","DOIUrl":"10.1016/j.rechem.2026.103765","url":null,"abstract":"<div><div>The HAX1–CLPB protein–protein interaction (PPI) is critical for maintaining mitochondrial proteostasis. Since perturbation of this important axis is associated with premature death in myeloid progenitor cells and severe congenital neutropenia, we hypothesized that targeting HAX1-CLPB may have therapeutic value in myeloid malignancies. Here, we established a fluorescence polarization (FP)-based high-throughput screening (HTS) platform to identify HAX1–CLPB inhibitors. Primary screening of 40,640 compounds yielded 112 initial hits, one of them being Z16519514 (<em>N</em>-methyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12), 2(6),8,10-tetraen-12-yloxy)acetamide). Orthogonal validation using a microscale thermophoresis (MST) competition assay confirmed this PPI inhibitor while ligand-observed Nuclear Magnetic Resonance (NMR) spectroscopy and surface plasmon resonance (SPR) confirmed target engagement on CLPB. This work provides the first biochemically validated small-molecule inhibitor of the HAX1–CLPB interaction, establishing a foundation for developing more potent and cell-active modulators targeting mitochondrial proteostasis and cell death in cancer.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103765"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, structural elucidation, and in silico studies of Co(III) and Cu(II) complexes containing from 2-aminobenzyl alcohol: comprehensive characterization, DFT, Hirshfeld surface analysis and molecular docking","authors":"Mehdi Salehi,&nbsp;Sakineh Parvarinezhad,&nbsp;Pardis Roozbahani,&nbsp;Rahime Eshaghi Malekshah,&nbsp;Soraya Sepehrfar,&nbsp;Maciej Kubicki,&nbsp;Atekeh Tarahhomi,&nbsp;Grzegorz Dutkiewicz","doi":"10.1016/j.rechem.2026.103714","DOIUrl":"10.1016/j.rechem.2026.103714","url":null,"abstract":"<div><div>Two new Schiff base complexes, [Cu₆(L)₆] (<strong>1</strong>) and [Co (HL)₂]OAc (<strong>2</strong>), were synthesized by condensation of the ligand (E)-5-bromo-2-[2-(hydroxymethyl)phenyliminomethyl] phenol (H₂L) with metal elements)copper/cobalt) in methanol. The H₂L ligand formed a bidentate hexanuclear structure with Cu(II) ion and a mononuclear complex with Co(III). The compounds were identified by conventional spectroscopic methods (elemental analysis, UV–Vis, and FT-IR), and their structures were determined by X-ray diffraction. The results showed that complex)<strong>1</strong>(has a Cu₆O₈ symmetric scaffold with <em>C</em>_i symmetry and complex)<strong>2</strong>(has <em>C</em>₂ symmetry with an octahedral coordination environment for the Co ion. Analysis of intermolecular interactions using Hirshfeld surface revealed the presence of prominent H…H, H…Br/Br…H and C…Br/Br…C interactions in complex)<strong>1</strong>(and H…O/O…H in complex)<strong>2</strong>(. Also, enrichment ratio showed that H…Br/Br…H, H…O/O…H, and C…C interactions are more favorable in both complexes. DFT calculations using the B3LYP/6-311G method and FMO analysis were performed to investigate the electronic structure and the agreement between theoretical and experimental UV–Vis data. Molecular dynamics (MD) simulations were performed to investigate the interactions between inhibitor molecules and bronze metal surfaces in corrosive environments. The results showed that complexes (<strong>1</strong>) and (<strong>2</strong>) are strongly adsorbed on the bronze (1 0 0) surface, which is facilitated by non-covalent interactions. These interactions help to form a stable protective layer and are essential for corrosion inhibition. The results of these simulations can be useful in understanding and developing effective strategies for corrosion inhibition. In conclusion, the molecular docking results against 6Y2F (coronavirus) and 1BG1 (colon cancer) proteins show appropriate affinity and stable energies, indicating the possibility of using these complexes as potential inhibitor candidates for coronavirus and colon cancer. In addition, the copper complex showed a more favorable total system energy and higher affinity for receptor interaction compared to the cobalt complex and the reference drug favipiravir. The molecular docking results of the studied complexes, compared to niclosamide (as the reference drug), indicated better performance of both complexes and their complete localization in the active site of the receptor.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103714"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854553","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Integrative pharmacological network exploration of Kaempferol from polyherbal D5 chooranam in diabetic nephropathy","authors":"Tamizhini Loganathan,&nbsp;S. Madhulekha,&nbsp;M.S. Shree Devi,&nbsp;C. George Priya Doss","doi":"10.1016/j.rechem.2026.103741","DOIUrl":"10.1016/j.rechem.2026.103741","url":null,"abstract":"<div><div>Diabetic Nephropathy (DN) affects over half of the diabetic population, is a significant global health concern and a leading cause of end-stage renal disease (ESRD). Recent studies emphasised the potential of herbal medicinal plants, particularly those with antioxidant properties and anti-inflammatory properties, in treating DN. This research examines the active phytochemicals and molecular mechanisms of D5 chooranam in the treatment of DN. Data on these phytochemicals were sourced from the IMPPAT database. Sixteen compounds were selected for further analysis based on ADMET profiling criteria. Target prediction analysis was performed for the selected phytochemicals. Disease-associated targets were identified using multiple databases, and comparison of the phytochemical and disease target datasets revealed 462 overlapping targets. Functional analysis revealed enrichment in pathways related to insulin resistance, PI3K-AKT signaling, and AGE-RAGE metabolism. Hub targets were identified using degree measures, with the top 10 genes selected for further analysis. The compound kaempferol showed strong interactions with genes such as <em>TP53</em>, <em>MAPK1</em>, <em>MAPK3</em>, <em>AKT1</em>, and <em>SRC</em>. Molecular docking and 500 ns molecular dynamics simulation studies of these five complexes showed that the SRC–kaempferol complex exhibited stable interactions, structural stability throughout the simulation period, and favorable binding energies. This study elucidates the pharmacologically active compounds in D5 chooranam by combining traditional knowledge with modern scientific insights using network pharmacology, thereby informing treatment strategies.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103741"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced photocatalytic degradation of dithizone using LDH@ZnS quantum dots and flower-like ZnO nanostructures: a comparative study","authors":"Maryam Ataei Qarache,&nbsp;Hamid Reza Rajabi,&nbsp;Sahar Koraei,&nbsp;Omid Khani","doi":"10.1016/j.rechem.2026.103760","DOIUrl":"10.1016/j.rechem.2026.103760","url":null,"abstract":"<div><div>This study presents a comparative evaluation of two advanced nanophotocatalysts for dithizone degradation: a zinc sulfide quantum dot-decorated CaMgFe layered double hydroxide nanocomposite (LDH@ZnS QDs) and hydrothermally synthesized flower-like zinc oxide (ZnO) nanoparticles. A magnetic nanophotocatalyst (MLDH@ZnS QDs) was also synthesized via co-precipitation to facilitate recovery. Comprehensive characterization confirmed distinct structures and optical properties of the synthesized nanomaterials. Under optimized conditions, LDH@ZnS QDs achieved more than 95% degradation at pH 3 using 10 mg of nanophotocatalyst within 20 min of UV irradiation. In contrast, ZnO nanoparticles required pH 5, 15 mg of nanophotocatalyst, and 60 min to reach more than 94% efficiency. Metal-ion doping (Ag⁺, Cu²⁺, and Co²⁺) modulated the photocatalytic activity, with Fe³⁺ doping markedly decreasing the degradation efficiency, likely because of enhanced charge-carrier recombination. Both photocatalysts were evaluated under various light sources, including UV, visible light, blue LED, tungsten lamp, and sunlight; the LDH-based composites performed best under UV and blue LED irradiation, whereas ZnO showed notable efficiency under sunlight. The investigation of key parameters, including pH, nanophotocatalyst dosage, irradiation time, temperature (15–45 °C), ionic strength, and the presence of interfering salts, revealed the superior robustness and faster kinetics of the LDH@ZnS system in acidic and complex media. Reusability tests confirmed excellent stability, with LDH@ZnS retaining more than 90% efficiency over four cycles and ZnO over five cycles. Kinetic studies indicated pseudo-second-order degradation, and a radical-based mechanism was proposed. This comparative analysis establishes LDH@ZnS QDs as a highly efficient and fast-acting photocatalyst for acidic wastewater treatment, while ZnO presents a viable and sustainable option for near-neutral conditions and solar-driven applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103760"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}