ChemistryOpen最新文献

{"title":"The Anomalously High Boiling Point of Water Revisited","authors":"Lucas de Azevedo Santos,&nbsp;Siebe Lekanne Deprez,&nbsp;F. Matthias Bickelhaupt,&nbsp;Célia Fonseca Guerra","doi":"10.1002/open.70316","DOIUrl":"https://doi.org/10.1002/open.70316","url":null,"abstract":"<p>Typically, boiling points increase with molecular weight because dispersion forces strengthen. However, H₂O deviates from this trend, exhibiting a higher boiling point than its heavier group-16 analogs. This anomaly is traditionally attributed to water’s larger dipole moment, which is thought to promote stronger electrostatic intermolecular hydrogen bonds. Yet, this textbook explanation lacks quantitative support. Here, alongside thermodynamic and structural effects, we identify a key microscopic, quantum chemical factor that explains trends in interaction strength, which in turn are associated with water’s abnormally high boiling point. Within the series of binary hydrides studied, Kohn–Sham molecular orbital theory reveals that the Pauli exclusion principle is an important factor behind water’s high boiling point, as it modulates intermolecular distances and, thereby, influences the strength of all attractive interactions, including Coulombic attraction. The compact H₂O molecule experiences significantly less intermolecular Pauli repulsion, allowing for shorter intermolecular distances, enhancing all attractive forces, and resulting in elevated boiling points. These findings not only provide a rigorous, quantitative framework for understanding a fundamental property of water but also call for a critical re-evaluation of conventional teaching and interpretation.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70316","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149176994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nitrogen-Doped Mesoporous Carbon Loaded With Zn Single Atoms as a Catalyst for the Synthesis of 2,4(5)-Diarylimidazoles","authors":"Maryam Shojaei-Asl,&nbsp;Mohsen Moradian","doi":"10.1002/open.70318","DOIUrl":"https://doi.org/10.1002/open.70318","url":null,"abstract":"<p>Single-atom catalysts have emerged as highly effective alternatives to conventional metal catalysts due to their uniform active sites and superior catalytic performance. Stabilizing single zinc atoms on nitrogen-doped mesoporous carbon (NMC) enhances their stability, selectivity, electrical conductivity, and compatibility with green chemistry principles. In this study, a Zn@NMC catalyst was synthesized via solvent evaporation-induced self-assembly, followed by thermal polymerization and pyrolysis, and characterized by ¹H nuclear magnetic resonance (NMR), Brunauer–Emmett–Teller, thermogravimetric analysis, scanning electron microscopy, and energy-dispersive X-ray mapping analyses. The catalyst was successfully applied in the one-pot Radziszewski synthesis of 12 2,4(5)-diarylimidazole derivatives from phenylglyoxal, various substituted benzaldehydes, and ammonium acetate. ¹H NMR, ¹³C NMR, and Fourier transform infrared spectroscopy were used to characterize the products. Optimal results were obtained in methanol at room temperature (25 °C) for 12 h, affording the desired products in yields of up to 97%. The incorporation of isolated zinc atoms into the nitrogen-rich carbon matrix significantly improved selectivity toward the target diarylimidazoles by suppressing side reactions and preventing catalyst deactivation.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70318","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177023","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel Carbazole–Acylthiourea Derivatives: Synthesis, Antimicrobial, Antioxidant, Hemocompatibility, Cytotoxicity, and ADME-Tox Profiling","authors":"Carmen Limban,&nbsp;Ioana Cristina Marinaş,&nbsp;Mariana Carmen Chifiriuc,&nbsp;Miron Teodor Căproiu,&nbsp;Florea Dumitraşcu,&nbsp;Erzsébet-Eleonóra Kapronczai,&nbsp;Irina Zarafu,&nbsp;Diana Camelia Nuţă,&nbsp;Petre Ioniţă,&nbsp;Speranţa Avram,&nbsp;Cătălina Mareş,&nbsp;Andra Maria Păun,&nbsp;Bogdan Mihai Cristea,&nbsp;Carmellina Daniela Bădiceanu,&nbsp;Ilinca Margareta Vlad,&nbsp;Maria Coandă,&nbsp;Delia Laura Popescu,&nbsp;Coralia Bleotu","doi":"10.1002/open.70258","DOIUrl":"10.1002/open.70258","url":null,"abstract":"<p>A focused series of four carprofen-derived carbazole–acylthiourea <i>N</i>-(arylcarbamothioyl)propanamides (<b>1a–d</b>) was synthesized by in situ generation of 2-(6-chloro-9<i>H</i>-carbazol-2-yl)propanoyl isothiocyanate followed by reaction with aniline, <i>para</i>-toluidine, <i>para-</i>bromoaniline, and <i>para-</i>iodoaniline, respectively. The structures were supported by FT-IR, NMR, and APCI-HRMS analyses. The compounds were evaluated against clinically relevant bacterial and fungal strains, complemented by antioxidant assays, hemocompatibility/antihemolysis models, cancer cell viability assays, and in silico drug-likeness, pharmacokinetic, pharmacogenomic, and toxicity prediction. The biological profile was substituent-dependent: <b>1b</b> showed the strongest activity against <i>Staphylococcus aureus</i> (MIC = 0.25 mg/mL), <b>1a</b> and <b>1c</b> were the most active against <i>Enterococcus faecalis</i> (MIC = 0.31 mg/mL), while the iodophenyl derivative <b>1d</b> was the most potent against <i>Candida albicans</i> (MIC = 0.16 mg/mL). Compounds <b>1b</b> and <b>1c</b> also inhibited microbial adherence in selected Gram-positive and fungal models. Compound <b>1a</b> displayed the most consistent antioxidant activity across antioxidant assays and protected erythrocytes from AAPH-induced oxidative hemolysis. The cytotoxicity screening revealed increased sensitivity of A-431 cells, particularly to <b>1b</b> (IC50 = 13.67 µg/mL). Molecular docking revealed key binding interactions potentially underlying the observed biological activity. Overall, the integrated data identify carbazole–acylthiourea propanamides, especially <b>1a</b> and <b>1b</b>, as promising bioactive scaffolds for further optimization as multifunctional compounds.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70258","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149164217","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergy of Charcoal–Cellulose Fibers for Enhanced COD and TSS Removal From Oily Industrial Wastewater: Experimental Assessment and Statistical Modeling","authors":"Taha A. Labani,&nbsp;Rajeev Kumar,&nbsp;Fahed A. Aloufi,&nbsp;M. A. Barakat","doi":"10.1002/open.70278","DOIUrl":"10.1002/open.70278","url":null,"abstract":"<p>This study evaluates a low-cost fiber medium composed of animal charcoal and tissue paper (AC–TP) as a bench-scale polishing approach for treating oily industrial wastewater from Makkah Power Plant. Thirty-six samples were collected over 6 months from three operational areas: the fuel unloading area (FUA), the fuel tank area (FTA), and the turbine unit area (TUA). The samples were analyzed for chemical oxygen demand (COD), total suspended solids (TSS), total dissolved solids (TDS), turbidity, and oil and grease. COD reduction was the primary indicator, while AC–TP-corrected filter-retained solids mass and filtration time were supporting indicators. Dose screening on FUA samples with AC:TP ratio of 1.0:0.5 was identified as the preliminary best-performing dosage based on COD reduction, with corrected filter-retained solids behavior and available filtration-time data used as supporting indicators. Applying this dosage to FUA, FTA, and TUA wastewater yielded COD removals of about 75%–82%, 79%, and 79.5%, respectively. Retained solids mass increased by 20%–55%, and filtration time decreased by up to ~60%. Statistical analyses using analysis of variance (ANOVA), paired <i>t-</i>tests, and COD–TSS/COD–filtration-time regressions confirmed the significance of these improvements. Scanning electron microscope (SEM) and X-ray diffraction (XRD) observations supported a tentative interpretation of coupled carbon-assisted organic removal and fiber-assisted physical retention.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 10","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13645059/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149126747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Elucidating the MultiPathway Therapeutic Potential of Trichosanthes kirilowii Bioactives in Intestinal Obstruction via Network Pharmacology and Molecular Dynamics","authors":"Tianying Wu,&nbsp;Xiaofen Lin,&nbsp;Wencong Lin,&nbsp;Lixia Huang,&nbsp;Yuewu Lin","doi":"10.1002/open.70312","DOIUrl":"10.1002/open.70312","url":null,"abstract":"<p>Intestinal obstruction (IO) disrupts normal intestinal transit and involves dysmotility, mucosal stress, and inflammation. This computational workflow evaluated a 10-compound <i>Trichosanthes kirilowii</i> docking panel, a filtered disease-target set, MOE docking validation, and 100 ns MOE molecular dynamics and MM/GBSA endpoint analyses. GeneCards filtering (relevance &gt;= 10) and OMIM curation yielded a primary disease union of 756 genes; 31 targets overlapped with a broadened 203-target herb-associated set, and the overlap was significant by hypergeometric testing (<i>p</i> = 6.38 × 10⁻¹¹). Docking across ACTB, AKT1, ALB, IL6, MYC, PTGS2, and TNFR1/TNFRSF1A showed strongest overall performance for β-D-glucopyranosyl-α-spinasterol (mean score −8.19 kcal/mol), followed by Stigmast-7-en-3β-ol 3-O-β-D-glucopyranoside, Cucurbitacin B, Bryonolic acid, and Cucurbitacin D. Redocking validation passed for ACTB, AKT1, ALB, PTGS2, and TNFR1, while IL6 and MYC were evaluated using alternative site validation. These results support a multicompound, multitarget hypothesis requiring experimental confirmation.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 10","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13639117/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104626","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and Cytotoxic Activity of 1,3-Selenazole-2-Amine Derivatives With Computational ADMET Profiling","authors":"Gulay Dilek,&nbsp;Senem Akkoc","doi":"10.1002/open.70314","DOIUrl":"10.1002/open.70314","url":null,"abstract":"<p>A set of newly developed 1,3-selenazole-2-amine derivatives (<b>1–4</b>) was prepared via a modified Hantzsch-type cyclization of appropriately substituted α-bromoacetophenones with selenourea under reflux conditions. The synthesized compounds were tested for cytotoxic activity in HT-29 (colon cancer), MCF-7 (breast cancer), and L929 (mouse fibroblast) cell lines using the MTT assay. The compounds induced weak to moderate cytotoxicity in MCF-7 cells. Among them, compound <b>4</b> showed cytotoxic activity with IC₅₀ value of 171.10 µM, while no appreciable activity was observed against HT-29 cells (IC₅₀ &gt; 300 µM). Selectivity analysis demonstrated that compound <b>3</b> exhibited low toxicity toward healthy cells. In silico ADMET analysis indicated promising pharmacokinetic and physicochemical properties, including high gastrointestinal absorption, moderate lipophilicity, and compliance with drug-likeness rules, while predicting limited blood–brain barrier permeability. The BOILED-Egg model further supported high intestinal absorption and peripheral activity.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 10","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13631558/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metal–Organic Frameworks for Electrocatalytic Nitrate-to-Ammonia Conversion: A Review","authors":"Abdullah Shah,&nbsp;Muhammad Ilyas,&nbsp;Natasha Shehzad,&nbsp;Shah Faisal,&nbsp;Salman Khan,&nbsp;Nolubabalo Matinise","doi":"10.1002/open.70305","DOIUrl":"10.1002/open.70305","url":null,"abstract":"<p>This review takes a structure mechanism perspective on active site dynamics and charge transfer pathways governing ammonia selectivity in metal–organic frameworks (MOFs). This review aims to summarize the progress of MOF-based electrocatalysts for nitrate to ammonia conversion, with a focus on structural characteristics, charge transfer behavior, and catalytic activity. The basic principles of nitrate reduction reaction (NO₃⁻RR) such as reaction thermodynamics, reduction process, and important activity descriptors are presented. The recent developments on pristine MOFs, conductive MOFs, MOF-derived materials and hybrid architectures are summarized and the roles of metal centers, ligand functionalization, defect engineering, heterometallic interactions and interfacial coupling in controlling nitrate adsorption, intermediate stabilization and hydrogenation processes in MOFs are highlighted. Representative MOF based systems achieve NH₃ Faradaic efficiencies (FEs) up to about 99% with production rates near 22.5 mg h⁻¹ cm⁻² and nitrate conversion approaching 99%. The contribution of theoretical calculations and operando characterization techniques toward understanding reaction mechanisms is discussed. Key bottlenecks include low-intrinsic conductivity, limited structural stability under reducing conditions, uncertain identification of the true active phase during reconstruction, and inconsistent testing protocols across studies. Finally, the current limitations and future research directions for developing stable, conductive, and practically relevant MOF-based NO₃⁻RR catalysts are critically evaluated.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 10","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13631467/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"1,2,4,5-Tetrazine-Boron Halide Adduct Formation Unraveled in Solution and Solid State","authors":"Jona Voss,&nbsp;Andreas Mix,&nbsp;Jan-Hendrik Lamm,&nbsp;Beate Neumann,&nbsp;Hans-Georg Stammler,&nbsp;Norbert Sewald","doi":"10.1002/open.70317","DOIUrl":"10.1002/open.70317","url":null,"abstract":"<p>1,2,4,5-Tetrazines are electron-deficient heterocycles with four nitrogen atom-localized lone pairs potentially acting as Lewis bases. While it has been shown that tetrazines, as electronically amphiphilic ligands, undergo anion–π, π–π, and transition metal-based adduct formation reactions, adducts of tetrazines with main group metal Lewis acids have not yet been structurally characterized. We report spectroscopic and single crystal X-ray diffraction (SC-XRD) analyses of tetrazine-boron halide adducts in solution and in the solid state, respectively. With the aid of (diffusion-ordered) nuclear magnetic resonance (DOSY-)NMR spectroscopy dynamic equilibria between tetrazine-boron halide adducts have been proven, while solid state structures show localized 1:1 tetrazine-boron halide adducts.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 10","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13629465/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"2-Chloro-5-(trifluoromethyl)aniline-Derived Schiff Base Palladium(II) Complexes: From Molecular Design to Acute Toxicity Assessment","authors":"Andreea Elena Ştefan,&nbsp;Cristina Elena Dinu-Pîrvu,&nbsp;Sergiu Shova,&nbsp;Ştefania Felicia Bărbuceanu,&nbsp;Teodora Venera Apostol,&nbsp;Diana Carolina Ilieş,&nbsp;Mihaela Badea,&nbsp;Mihaela Dinu,&nbsp;Robert Viorel Ancuceanu,&nbsp;Doina Drăgănescu,&nbsp;Elena Pahonţu","doi":"10.1002/open.70315","DOIUrl":"10.1002/open.70315","url":null,"abstract":"<p>Four Schiff bases newly synthesized from 2-chloro-5-(trifluoromethyl)aniline served as ligands for the preparation of four palladium(II) complexes. Characterization of all compounds was performed using the following physicochemical techniques: elemental analysis, IR, UV–vis, ¹H NMR, ¹³C NMR, mass spectrometry, thermal analysis, molar conductivity, and magnetic susceptibility. In addition, crystals of the ligands <b>HL</b>^<b>1</b>–<b>HL</b>^<b>4</b> and the complexes <b>2</b> and <b>4</b> were obtained, enabling their structures to be confirmed by single-crystal X-ray diffraction. Crystallography showed that ligands form molecular crystals with one molecule per unit cell, except <b>HL</b>^<b>1</b>, which contains two chemically identical molecules; <b>HL</b>^<b>1</b>, <b>HL</b>^<b>2</b>, and <b>HL</b>^<b>4</b> are centrosymmetric, and <b>HL</b>^<b>3</b> crystallizes as a pure enantiomer. Complex <b>4</b> is mononuclear, coordinated by two deprotonated ligands through an N₂O₂ donor set, while complex <b>2</b> is dinuclear, with each palladium(II) coordinated via an O₃N set by one bidentate anionic ligand and two bidentate-bridging acetate anions. Phytotoxicity and animal toxicity were assessed using <i>Triticum aestivum</i> L. and <i>Artemia franciscana</i> Kellogg, respectively. Complexes were slightly more inhibitory than ligands on <i>Triticum</i>, but overall effects were weak, with root growth exceeding that of the negative control at all tested concentrations. Only complexes <b>2</b> and <b>4</b> exhibited dose-dependent toxicity in <i>Artemia</i>, with LC₅₀ values of 389.8 and 48.7 µM.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 10","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13627978/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Conformational Control of Excited-State Properties in Ortho-Linked Triarylamine-Based Donor–Acceptor Conjugates","authors":"Monika Flörke,&nbsp;Thomas J. J. Müller","doi":"10.1002/open.70308","DOIUrl":"10.1002/open.70308","url":null,"abstract":"<p>A series of intensely blue-emissive <i>ortho</i>-linked donor–acceptor conjugates comprising triarylamine donors and cyanopyridine or benzonitrile acceptors was readily synthesized via the bromine–lithium exchange–borylation–Suzuki (BLEBS) sequence in moderate to good yields. The modular synthetic approach enables systematic variation of conformational constraint as a molecular design element for tailoring excited-state properties. Cyclic voltammetry reveals irreversible dimerization of triarylamine derivatives lacking <i>para</i>-substituents. Photophysical studies in the solid state, solution, and polymethylmethacrylate (PMMA) matrix reveal photoluminescence quantum yields (PLQY) of up to 70%, emission bandwidths as narrow as 2480 cm⁻¹ (47 nm), and CIE 1931 coordinates approaching the standard blue point. Phenylene extension increases conformational constraint around the acceptor, inducing hypsochromically shifted emission and providing an additional structural handle for tuning the optical properties. Pronounced positive emission solvatochromism, aggregation-induced emission enhancement (AIEE), temperature-dependent spectroscopy, and quantum-chemical calculations consistently indicate that conformational modulation governs charge-transfer interactions, excited-state relaxation, and triplet-state accessibility. Together, the experimental and theoretical results establish structure–property relationships that provide design principles for the rational engineering of future blue-emissive organic chromophores.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 10","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13627975/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}