Inorganic Chemistry Communications最新文献

{"title":"Mechanistic insights into CO₂ capture in metal–organic frameworks: from framework dynamics to molecular interactions","authors":"Richa Vinayak ,&nbsp;Garima Sharma","doi":"10.1016/j.inoche.2026.116271","DOIUrl":"10.1016/j.inoche.2026.116271","url":null,"abstract":"<div><div>The urgent need to mitigate atmospheric CO₂ has driven the exploration of advanced materials for carbon capture, with metal-organic frameworks (MOFs) emerging as frontrunners due to their structural versatility, high surface areas, and tunable functionalities. This review presents a comprehensive mechanistic perspective on CO₂ adsorption in MOFs, linking molecular-level interactions such as metal CO₂ binding, hydrogen bonding, and electrostatics with macroscopic structural responses including gate-opening, breathing, and negative gas adsorption (NGA). This review presents a systematic, application-oriented mechanistic framework for CO₂ adsorption in MOFs, categorizing adsorption behavior into framework-responsive, site-specific, and guest-induced cooperative mechanisms, and linking these mechanisms to practical capture scenarios. Framework-responsive mechanisms highlight the dynamic adaptability of MOFs, while site-specific mechanisms leverage open metal sites, functional groups, and engineered defects to create high-affinity adsorption centers. Guest-induced cooperative mechanisms enhance uptake via synergistic host–guest interactions, and rotational dynamics are shown to influence diffusion and selectivity. By integrating synthetic design principles, structural flexibility, and mechanistic insight, this review bridges chemistry, physics, and materials design, offering tutorial value for early-career researchers and forward-looking strategies for next-generation sorbents tailored to post-combustion, pre-combustion, and direct air CO₂ capture.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116271"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Harnessing interpretable machine learning: SHapley additive exPlanations (SHAP)-driven insights, transformative impact, and controversies in adsorption-based environmental remediation","authors":"Mohammad Khajavian ,&nbsp;Jin-Hyeok Jang ,&nbsp;Jae-Young Kwon ,&nbsp;Jung-Min Lee ,&nbsp;Sangyoup Lee ,&nbsp;Moon-Hyun Hwang ,&nbsp;Euntae Yang ,&nbsp;Jae Kyung Jang ,&nbsp;Kyu-Jung Chae","doi":"10.1016/j.inoche.2026.116269","DOIUrl":"10.1016/j.inoche.2026.116269","url":null,"abstract":"<div><div>Machine learning (ML) provides powerful predictive capabilities for environmental remediation, enabling the diagnosis of contamination sources and optimization of treatment processes for pollutants such as heavy metals, dyes, and pharmaceuticals. However, the black-box nature of many ML models limits their mechanistic interpretability, hindering application in process design. This review systematically synthesizes and critically evaluates the use of Shapley Additive exPlanations (SHAP) to address this gap in adsorption-based water treatment. Whereas previous reviews have established the broad utility of ML, a dedicated assessment of SHAP's methodological aspects and its role in deriving mechanistic insight is lacking. The consolidated evidence from diverse studies shows that SHAP analysis reliably identifies key predictors of adsorption behavior, including parameters such as surface area and pH that determine contaminant–adsorbent interactions. A critical review of studies addressing controversies and divergent perspectives in SHAP-based interpretability revealed that, although SHAP is widely employed to extract mechanistic insights, its application frequently overlooks important methodological limitations. The review concludes by outlining future research directions for leveraging SHAP to advance fundamental understanding and optimize remediation strategies.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116269"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170445","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel plastic waste–derived carbon nanodarts and nanoblades decorated with cobalt–molybdenum carbides as outstanding antibacterial active agents","authors":"Ahmed M. Haggar ,&nbsp;Ahmed M. Azzam ,&nbsp;Mohamed S. Selim ,&nbsp;Bayaumy B. Mostafa ,&nbsp;Huichao Jin ,&nbsp;Ahmed E. Awadallah ,&nbsp;Ateyya A. Aboul-Enein ,&nbsp;Essam Sh. Mohamed","doi":"10.1016/j.inoche.2026.116275","DOIUrl":"10.1016/j.inoche.2026.116275","url":null,"abstract":"<div><div>In the current work, we reported comparable antimicrobial synergistic effects between two distinct carbonaceous nanomaterials for enhanced antibacterial activity. The developed nanomaterials were tubular carbon nanotubes (T-CNTs) and platelet carbon nanofibers (P-CNFs). The size, morphology, and elemental composition of the produced nanomaterials were confirmed using various analytical techniques. Variation in their controlled diameters and morphologies would affect their nanocomposites' surface and biological activity properties. The antibacterial properties of the two carbonaceous nanomaterials were tested against gram-positive <em>(Bacillus subtilis</em> and <em>Staphylococcus aureus</em>) and gram-negative <em>(Escherichia coli</em> and <em>Pseudomonas aeruginosa</em>) bacteria. The generated nanostructured materials' antibacterial efficacy was assessed using scanning electron microscopy, cell viability percentages, and minimal degradation. The carbonaceous materials' microbial resistance was discovered by optical microscopy and SEM analysis, which revealed that they wrapped the bacterial cells completely and disrupted their form morphology via microbial cell membrane degradation. Because of the gram-negative bacterial outer membrane proteins and exterior cellular wall structure, the developed materials demonstrated higher antimicrobial activity toward gram-positive bacteria than gram-negative strains. P-CNF nanoblades exhibited higher antibacterial activity than T-CNTs nanodarts. The highest antibacterial activity was recorded against bacterial species <em>S. aureus</em> and <em>E. coli</em>. The highest inhibition zones, 22 ± 2.0 mm and 19 ± 1.5 mm, were presented at a concentration of 10 mg/mL of P-CNFs, respectively. The high-surface-area P-CNF nanoblades could cause antibacterial activity, mechanical stress, oxidative stress, cellular lysis and destruction, and physical wrapping. Our research sheds light on the development of two novel and potent carbonaceous antibacterial agents for biological and environmental applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116275"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170506","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rational Design of Gemini Surfactant-assisted Multifunctional ZIF-8@HAp nanocomposite for mechanistic insights into protein interactions, enhanced photocatalytic efficiency under visible light, and antibacterial study","authors":"Swayam Prajna Sahoo ,&nbsp;Mittal Gunjan Lokesh ,&nbsp;Ayusman Kitu Biswal ,&nbsp;Supriya Pradeep Whaval ,&nbsp;Hiranmayee Satapathy ,&nbsp;Amit Kumar Tiwari","doi":"10.1016/j.inoche.2026.116185","DOIUrl":"10.1016/j.inoche.2026.116185","url":null,"abstract":"<div><div>In our study, we synthesised a ZIF-8@HAp nanocomposite using a cationic Gemini surfactant as a capping agent during the templating of HAp nanoparticles. The resulting nanocomposite exhibited a tailored morphology, increased surface functionality, and enhanced structural stability, yielding excellent photocatalytic, antibacterial, and biomolecular-interaction properties, making it ideal for long-term biomedical and environmental applications. Comprehensive characterization by FTIR, XRD, XPS, FE-SEM, HR-TEM, TGA, UV–DRS, PL, BET, and zeta potential confirmed its high surface area, good crystallinity, excellent optical and thermal characteristics, and morphology. Molecular docking analysis revealed noncovalent interactions between ZIF-8@HAp(g) and BSA at the Amino acid residues SER65, ASP249, GLY243, and LYS239, suggesting robust binding and structural integrity. Steady-state and time-resolved fluorescence investigations revealed dynamic quenching at elevated nanocomposite concentrations, with methanol exhibiting markedly higher Stern–Volmer (K_sv) and binding constant (K_b) values than DMSO and water. The FTIR and circular dichroism spectra revealed a conformational change in BSA associated with a decrease in α-helical content. Under visible light (20 W), the nanocomposite degraded 96% of Methylene blue dye within 100 min (k = 0.020 min⁻¹, R² = 0.92) and showed significant antibacterial activity against <em>E. coli</em> and <em>S. aureus</em>. Our results demonstrate the outstanding multifunctionality of the Gemini surfactant-assisted ZIF-8@HAp(g) nanocomposite, highlighting its considerable promise as a nanomaterial for sustainable biomedical and environmental applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116185"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fluorene-appended Schiff bases for selective V(III) and Ru(III) recognition: Single-crystal, UV–vis, anticancer potential and molecular docking insights","authors":"Gurjaspreet Singh ,&nbsp;Karampreet Kaur ,&nbsp;Harshbir Kaur ,&nbsp;Anurag Dalal ,&nbsp;Ridhi ,&nbsp;Madhu Preet Kaur ,&nbsp;Baljinder Singh ,&nbsp;Shipra Goyal ,&nbsp;Manraj Singh","doi":"10.1016/j.inoche.2026.116150","DOIUrl":"10.1016/j.inoche.2026.116150","url":null,"abstract":"<div><div>Two new fluorene appended Schiff bases designated IK and DO were synthesized and characterized to tap the potential applications in terms of structure, sensing properties, and use in biology. IK synthesized quickly in ethanol with complete reflux in three hours to obtain highly pure stable crystals. Structure was confirmed by single-crystal X-Ray diffraction with CCDC no. 2405320. The Schiff base DO and its V(III) &amp; Ru(III) complexes synthesized successfully with a simplest solution phase method. Characteristic results with UV–Vis spectra indicate strong binding sites with sensitivity with which sensitivity has been determined to be 0.183 μM with R² = 0.9993 with V(III); R² = 0.9968 with LOD 21.619 μM with Ru(III), respectively. The Schiff base DO exhibited significant cytotoxic activity against HeLa cancer cells in an MTT assay, demonstrating its potential as a promising anticancer lead. Molecular docking studies revealed strong binding affinities with multiple cancer-related protein targets, including 6VWW (−9.17 kcal/mol), 4UUN (−10.06 kcal/mol), 1BXW (−9.55 kcal/mol), and 1L8A (−9.43 kcal/mol), indicating favorable ligand–protein interactions relevant to anticancer mechanisms. Additionally, DO showed notable binding with <em>E. coli</em> pyruvate dehydrogenase (1RP7, −9.55 kcal/mol), suggesting possible antibacterial relevance. Collectively, the biological and computational findings establish DO as a multifunctional molecule with pronounced anticancer activity and biologically significant protein interactions, warranting further mechanistic and in vivo studies.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116150"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Constructing Bi2MoO6/ZnO composite with Z-scheme charge dynamics for solar photodegradation of enrofloxacin and antibacterial trait","authors":"Qinzheng Wei ,&nbsp;Sze-Mun Lam ,&nbsp;Jin-Chung Sin ,&nbsp;Huanming Liu ,&nbsp;Jinpeng Su ,&nbsp;Kun Dong ,&nbsp;Haixiang Li","doi":"10.1016/j.inoche.2026.116166","DOIUrl":"10.1016/j.inoche.2026.116166","url":null,"abstract":"<div><div>Multifunctional catalyst surfaces for organic photodegradation and antibacterial applications are generally in high requirements, but they are facing towering challenges in light harnessing capability and charge transfer. In this work, a plate-like Bi₂MoO₆ loaded onto prism-like ZnO (BZ) composite was devised via a two-step precipitation-solvothermal technique to surmount above lapses. Comprehensive material characterization using XRD, FESEM, TEM, XPS, FTIR, UV–vis DRS, PL and photoelectrochemical measurements witnessed successful material compounding and crucial structural as well as distinct electrochemical traits. When fed with enrofloxacin (ENR) as a targeted aquaculture pollutant, the BZ composite exhibited high photodegradation activity (98.2%) under solar light, which was 1.4 and 2.6 times those of individual Bi₂MoO₆ and ZnO after 180 min solar irradiation, respectively. Moreover, the BZ composite efficiently realized photocatalytic inactivation of <em>Escherichia coli</em> and <em>Staphylococcus aureus</em> under solar light irradiation. The bacterial colony completely inactivated after introducing the binary composite within 180 min. The remarkable enhancement was due to both incorporation of abundant site Bi₂MoO₆ and the formation of BZ <em>Z</em>-scheme system which better improved light capturing behaviour and afforded the effective charge segregation for the incremented reactive oxygen species yield (e.g. superoxide anion radical and photogenerated hole). Additionally, LC-MS and T.E.S.T outcomes further validated the efficient ENR photodegradation and a substantial reduction in the toxicity of intermediate products. The relatively convenient repeatability trait and eminent photoactivity performance of BZ were favorable for actual wastewater treatment and bacterial disinfection applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116166"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"SnO2 /BN/g-C3N4 2D/2D heterojunctions: An eco-friendly engineering strategy for effective removal of emerging contaminants","authors":"Baishali Bhattacharjee,&nbsp;Md. Ahmaruzzaman","doi":"10.1016/j.inoche.2026.116182","DOIUrl":"10.1016/j.inoche.2026.116182","url":null,"abstract":"<div><div>Global water contamination is surging, creating a critical environmental challenge that necessitates urgent research into novel pollutant removal techniques. This study explores the synthesis of a SnO₂/boron nitride/g-C₃N₄ (SnO₂/BN/g-C₃N₄) nanocomposite using an environmentally friendly precipitation technique. The synthesis employed <em>Aloe vera</em> leaf extract as a key component. Furthermore, the photocatalytic activity of this material was evaluated for the photocatalytic degradation of Crystal Violet (CV) and Omeprazole (OMP), examining the influence of diverse experimental factors, including the presence of various organic and inorganic ions, as well as different water matrices. SnO₂ immobilization on BN/g-C₃N₄ was employed to enhance photocatalytic activity by inhibiting electron-hole recombination. The BET specific surface area analysis showed that the SnO₂/BN/g-C₃N₄ exhibited a specific surface area of 53.644 m²/g. The SnO₂/BN/g-C₃N₄ photocatalyst, after 50 min of solar illumination, showed high degradation efficiencies of 95.24% for CV and 94.55% for OMP. These results were obtained under optimal conditions: a hydrogen peroxide concentration of 0.3 mL/50 mL for CV and 0.4 mL/50 mL for OMP, a catalyst dosage of 0.1 g/L for CV and 0.14 g/L for OMP, and contaminant concentrations of 10 mg/L and 30 mg/L for CV and OMP respectively. This work highlights the importance of SnO₂ photocatalysts in the degradation of organic contaminants through solar-powered advanced oxidation. XPS-VB analysis and scavenger experiments indicated that superoxide (^•O₂⁻) radicals are integral to the SnO₂/BN/g-C₃N₄ facilitated removal of CV and OMP. The degradation by-products were identified using HR-LCMS analysis. Analysis revealed that the improved photodegradation performance stems from the creation of a <em>Z</em>-scheme heterojunction. Boron nitride present in the SnO₂/BN/g-C₃N₄ nanocomposite function as a bridge facilitating electron transfer, thereby suppressing charge recombination.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116182"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975150","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hemocompatibility and erythrocytic Re-calcification nature of Eu3+ doped Gd oxide and orthovanadate nanoparticles","authors":"Aftab Ansari ,&nbsp;Rafika Yasmin ,&nbsp;Muzamil Rather ,&nbsp;Robin Doley ,&nbsp;Dambarudhar Mohanta","doi":"10.1016/j.inoche.2026.116143","DOIUrl":"10.1016/j.inoche.2026.116143","url":null,"abstract":"<div><div>Prospective utilization of bare Eu³⁺ doped rare-earth (RE) based nanosystem in clinical field requires an in depth, broad, detailed and comprehensive evaluation of their biocompatibility. Considering extensive intravenous administration of RE based nanosystem, approximation of erythrocyte deformability upon nanosystem-erythrocyte interaction has proved to be essential for optimization of theranostic approaches. In this article, we present a descriptive account of consequence of erythrocytic interaction of Eu³⁺ doped Gd based oxide and vanadate nanosystem featuring their hemocompatibility aspects. The vanadate-based nanoparticles (NPs) displayed extremely hemocompatible nature even at concentration as high as ∼100 μg/ml. The oxide-based NPs were found to be bioviable for administration at lower concentrations of 10-25 μg/ml. SEM imaging of RBCs demonstrate the evident transformations in cell shapes at different stages upon treatment with nanostructures. Interestingly, doped vanadate-based nanostructures were determined to be pro-coagulant at higher concentrations, reducing the coagulation time from 7min (control) to ∼3min at higher concentrations. The effect of hydrodynamic size disparity in human blood plasma has been elucidated with phenomenon of formation of Plasma Protein Corona, increasing the system size up to ∼4 times. The observations signify major progress in the domain of nanoparticle-erythrocyte interaction and shall act as a viable reference for developing effective and biocompatible NPs for theranostic applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116143"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Redox active ferrocenyl appended pyridinediimine-ligated multifunctional cobalt(II) complexes: prospective compounds for spin-crossover and anticancer applications","authors":"Rishikumar I. Patel ,&nbsp;Uma Iyer ,&nbsp;Elias Mosaffa ,&nbsp;Debraj Chakraborty ,&nbsp;Debopam Sarkar ,&nbsp;Kaila R. Rahbarnoohi ,&nbsp;Ferman A. Chavez ,&nbsp;Enrique Colacio ,&nbsp;María Mar Quesada-Moreno ,&nbsp;Neeraj Jain ,&nbsp;Atanu Banerjee","doi":"10.1016/j.inoche.2026.116342","DOIUrl":"10.1016/j.inoche.2026.116342","url":null,"abstract":"<div><div>Two redox-active cobalt(II) complexes, [Co(PDI-Fc₂)₂](ClO₄)₂ (<strong>1</strong>) and [Co(PDI-Fc₂)₂][CoCl₄] (<strong>2</strong>), derived from a ferrocenyl-pyridinediimine ligand (PDI-Fc₂) were synthesized and characterized. Single-crystal X-ray studies reveal that both complexes feature low spin cobalt(II) in distorted octahedral coordination environment, derived from bis-tridendate PDI-Fc₂ (−[Co^II(Fc₂-PDI)₂]²⁺). Complex <strong>1</strong> has perchlorate anions and acetonitrile as the solvent of crystallization, while complex <strong>2</strong> has anionic cobalt tetrachloride [CoCl₄]²⁻ as the counter ion. Magnetic measurements demonstrate that both complexes <strong>1</strong> and <strong>2</strong> are in a low-spin state under ambient conditions and exhibit thermally induced spin-crossover characteristics. In addition, complex <strong>1</strong> display slow relaxation of magnetization in an external DC magnetic field indicative of single-molecule magnet (SMM) behaviour, whereas complex <strong>2</strong> displayed no such characteristics. Electrochemical studies reveal the redox-active nature of both the ligand and complexes. DFT studies were performed to elucidate the electronic structure of <strong>1</strong> and <strong>2</strong>. The free Schiff base ligand and both of the complexes exhibit significant cytotoxicity against the ovarian cancer cell line (PA1) with an IC₅₀ range of 7–16 μM, while showing lower toxicity towards the normal McCoy cell line. Hoechst-propidium iodide (Hoechst-PI) staining and reactive oxygen species (ROS) assays confirm the induction of apoptosis mediated by oxidative stress. The results render these Cobalt-Schiff-base complexes as promising candidates as both multifunctional materials and selective anticancer agents.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116342"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147384646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nanoengineering approach as a tool for enhancing the anticancer activity of alkynyl Au(I) complexes with cyclic P2N2 ligands","authors":"Bulat A. Faizullin ,&nbsp;Irina R. Dayanova ,&nbsp;Elizaveta M. Shibetskaya ,&nbsp;Igor A. Litvinov ,&nbsp;Alexandra D. Voloshina ,&nbsp;Anna P. Lyubina ,&nbsp;Elena V. Grachova ,&nbsp;Igor D. Strelnik ,&nbsp;Andrey A. Karasik ,&nbsp;Asiya R. Mustafina","doi":"10.1016/j.inoche.2026.116235","DOIUrl":"10.1016/j.inoche.2026.116235","url":null,"abstract":"<div><div>In this study, we demonstrate structural variation at the molecular, supramolecular and nanoscale levels as a tool for modifying the anticancer activity of alkynyl (C ≡ CR') Au(I) complexes with P₂N₂ (1,5-diaza-3,7-diphosphacyclooctane) ligands. The molecular structure is varied in a series of newly synthesized five Au(I) complexes with different substituents in the P₂N₂ and C ≡ CR' ligands, respectively. Due to the low solubility of these complexes in water, they were transformed into hydrophilic colloids using two different approaches, thus resulting in the formation of either core-shell, where the complexes aggregate to form solid cores, or micellar nanoparticles (NPs), in which the complexes are incorporated into a non-polar micellar core. The hydrophilic surface of both types of NPs is due to either aggregation of Pluronic F127 or its mixed aggregation with Pluronic P123. Incorporation of the complexes into the non-polar core of micelles can be considered as a more effective way to ensure their stability in an aqueous environment compared to the inclusion of these complexes into a solid core. It has been shown that Au(I) alkynyl complexes exhibit lower anticancer activity when incorporated into solid cores compared to Pluronic micelles. Moreover, the anticancer activity of these complexes can be further enhanced by altering the structure of the Pluronic components in the micelles. The achieved anticancer activity of the complexes does not correlate with the level of intracellular reactive oxygen species (ROS) formation. This suggests that altering the properties of Pluronic-based micelles can be considered a powerful tool for modifying the anticancer activity of the Au(I) complexes within them.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116235"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}