ChemPlusChem最新文献

{"title":"Improved Photocytotoxicity Based on Triblock Polymer-Derived Nanostructure.","authors":"Zeman Shao, Zhanghui Xu, Yanchun Wei, Qiuyang Zhang, Sen Liu, Zhongmei Yang","doi":"10.1002/cplu.202500232","DOIUrl":"https://doi.org/10.1002/cplu.202500232","url":null,"abstract":"<p><p>Enhancing singlet oxygen generation for photosensitizers in aqueous media can markedly improve the efficacy of photochemical therapy. Herein, triblock polymers composed of pyropheophorbide a photosensitizer (PPa), polyethylene glycol, and phospholipid are synthesized. These triblock polymers, driven by hydrophilic-hydrophobic interactions, spontaneously fold into an amphiphilic structure and further self-assemble into nanomicelles. This novel nanomicelle, termed nanoPPa, provides a stable, nonpolar microenvironment for photosensitizer molecules, thereby enhancing photodynamic energy efficiency by minimizing energy loss from molecular collisions and self-aggregation. Compared to the photosensitizer PPa alone, nanoPPa exhibits a remarkable fivefold increase in singlet oxygen generation, accompanied by a substantial boost in phototoxicity. Simultaneously, an increased fluorescence emission is observed. These enhancements in phototoxicity and fluorescence signify the potential of nanoPPa for dual applications in photodynamic therapy (PDT) and photodynamic imaging (PDI). The fabrication of this nanostructure is proposed as a versatile strategy to improve the application of photosensitizers and enhance therapeutic outcomes.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202500232"},"PeriodicalIF":2.8,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144999383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Formosulfathiazole: A Structural Revision.","authors":"Claudio Maestri, Toni Grell, Fabio Travagin, Christian R Göb, Michele Castaldi, Ivana Miletto, Geo Paul, Silvia Zampini, Marco Vandone, Valentina Colombo, Giovanni B Giovenzana","doi":"10.1002/cplu.202500406","DOIUrl":"10.1002/cplu.202500406","url":null,"abstract":"<p><p>Formosulfathiazole (FSTz) is a synthetic active pharmaceutical ingredient (API) prepared by condensation of sulfathiazole with formaldehyde. Originally described for the first time in 1948, it is currently used for the treatment of bacterial and protozoal infections in cattle and pets, acting as a prodrug slowly releasing the sulfamidic sulfathiazole and formaldehyde. A systematic analysis of FSTz allowed to revise the originally believed undefined polymeric structure and uncovered the intriguing cyclophane skeleton of a well-defined cyclodimeric condensation product.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202500406"},"PeriodicalIF":2.8,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Monitoring Receptor Clustering by Aggregation-Induced Emission.","authors":"Robert Bekus, Kevin Rudolph, Steffen Riebe, Jens Voskuhl, Thomas Schrader","doi":"10.1002/cplu.202500286","DOIUrl":"https://doi.org/10.1002/cplu.202500286","url":null,"abstract":"<p><p>This study introduces a simple signal transduction system that mimics the receptor tyrosine kinase mechanism by employing amphiphilic receptors embedded in lipid bilayers. The designed receptors carry bisphosphonate head groups and feature aggregation-induced emission enhancement (AIEE) properties. Upon addition of polyammonium messengers, they undergo ligand-induced dimerization or clustering inside the membrane. Steric restriction of intramolecular motion in the AIE luminophores sends out a fluorescence signal. Systematic comparative studies highlight the impact of receptor design, lipid environment and messenger properties on the efficiency, kinetics, and strength of signal transduction. These findings provide new insight into the interplay between receptor aggregation and membrane organization in controlling fluorescence-based signaling systems. Practical perspectives and inherent limitations are critically discussed.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202500286"},"PeriodicalIF":2.8,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144990917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of Optically Active Cyclic Compounds, Ribbon-Shaped and Propeller-Shaped Compounds, Consisting of Planar Chiral [2.2]Paracyclophane.","authors":"Ena Kumamoto, Nanami Miki, Ryo Inoue, Yasuhiro Morisaki","doi":"10.1002/cplu.202500276","DOIUrl":"https://doi.org/10.1002/cplu.202500276","url":null,"abstract":"<p><p>Two types of optically active cyclic compounds based on planar chiral [2.2]paracyclophane skeleton are synthesized. These compounds comprise tetrasubstituted [2.2]paracyclophanes as chiral crossing units, in which π-conjugated phenylene-ethynylenes are folded to construct ribbon- and propeller-shaped structures. The compounds emit circularly polarized luminescence (CPL) with high anisotropy factors (|g_lum|) and CPL brightness values (B_CPL).</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202500276"},"PeriodicalIF":2.8,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanistic Insights and Catalytic Efficiency of a 2,2'-Bipyridine-Coordinated Peroxidovanadium Complex as a Haloperoxidase Biomimetic.","authors":"Lucas G Fachini, Enzo V S Elisandro, Gabriel B Baptistella, Rúbia C R Bottini, Matteo Briganti, Giovana G Nunes, Eduardo L de Sá","doi":"10.1002/cplu.202500444","DOIUrl":"https://doi.org/10.1002/cplu.202500444","url":null,"abstract":"<p><p>The peroxidovanadium(V) complex [V^VO(O₂)(HO₂)(bpy)]·3H₂O·0.5bpy (1), where bpy = 2,2'-bypiridine, featuring η²-coordinated peroxide and hydroperoxide ligands, is reported as an efficient functional model of vanadium haloperoxidases (VHPOs). Structural and spectroscopic analyses indicate similarities between 1 and VHPO active sites, including peroxide ligand protonation. Mechanistic studies employing ab initio computational methods are based on the presence of [V^VO(O₂)(HO₂)(bpy)] and its aqueous equilibrium species [V^VO(O₂)(HO₂)(H₂O)], in solutions of 1 (pH = 5.8). For each compound, two reaction pathways are explored for the oxidation of iodide and bromide: 1) direct HOX, where X = Br or I, formation through nucleophilic attack on the protonated η²-peroxide, affording ΔG^‡= 20.0-26.5 kcal mol^-1 and 2) V-OX intermediate formation after the nucleophilic attack on the η²-peroxide resulting in ΔG^‡= 15.6-17.6 kcal mol^-1. Catalyst regeneration via end-on H₂O₂ coordination is exergonic (ΔG = -15.2 and -21.6 kcal mol^-1), indicating sustainable turnover. Complex 1 catalyzes the oxidative bromination of phenol red with a rate constant of 990 ± 90 mol^-2L²min^-1 and achieves high-yield halogenation of 8-hydroxyquinoline (73 and 86% for 5,7-dibromoquinolin-8-ol and 5,7-diiodoquinolin-8-ol) in mild conditions (30 °C, pH 5.8). The results highlight 1 as an efficient catalyst, with potential applications in the pharmaceutical and agrochemical industries.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202500444"},"PeriodicalIF":2.8,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine Learning—Guided Design of Biomass-Based Porous Carbon for Aqueous Symmetric Supercapacitors","authors":"Manickam Minakshi,&nbsp;Apsana Sharma,&nbsp;Ferdous Sohel,&nbsp;Almantas Pivrikas,&nbsp;Pragati A. Shinde,&nbsp;Katsuhiko Ariga,&nbsp;Lok Kumar Shrestha","doi":"10.1002/cplu.202500342","DOIUrl":"10.1002/cplu.202500342","url":null,"abstract":"<p>Biomass-derived porous carbon electrodes have attracted significant attention for high-performance supercapacitor applications due to their sustainability, cost-effectiveness, and tunable porosity. To accelerate the design and evaluation of these materials, it is essential to develop accurate and efficient strategies for optimizing their physicochemical and electrochemical properties. Herein, a machine learning (ML) approach is employed to analyze experimental data from previously reported sources, enabling the prediction of specific capacitance (F g⁻¹) based on various material characteristics and processing conditions. The trained ML model evaluates the influence of factors such as biomass type, electrolyte, activating agent, and key synthesis parameters, including activation and carbonization temperatures and durations, on supercapacitor performance. Despite growing interest, comprehensive studies that correlate these variables with performance metrics remain limited. This work addresses this gap by using ML algorithms to uncover the interrelationships between biomass-derived carbon properties, synthesis conditions, and specific capacitance. Herein, it is demonstrated that an optimal combination of a carbonized honeydew peel to H₃PO₄ ratio of 1:4 and an activation temperature of 500 °C yields a highly porous carbon material. When used in a symmetric device with 1 M H₂SO₄ electrolyte, this material, rich in oxygen and phosphorus species, achieves a high specific capacitance of 611 F g⁻¹ at a current density of 1.3 A g⁻¹. Correlation analysis reveals a strong synergy between surface area and pore volume (correlation coefficient = 0.8473), and the ML-predicted capacitance closely aligns with experimental results. This ML-assisted framework offers valuable insights into the critical physicochemical and electrochemical parameters that govern supercapacitor performance, providing a powerful tool for the rational design of next-generation energy storage materials.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"90 10","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cplu.202500342","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937230","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":"A Multilamellar, Thermoreversible, Phase-Selective Galactose-Triazole Organogelator: Role of Noncovalent Interactions and Porous Nanostructure in Environmental Remediation","authors":"Shoaib Muhammad,&nbsp;Firdous Imran Ali,&nbsp;Kashif Riaz,&nbsp;Muhammad Naveed Javed,&nbsp;Agha Arslan Wasim,&nbsp;Tooba Abid,&nbsp;Muhammad Nabeel,&nbsp;Faisal Rafique,&nbsp;Ahmad Bari,&nbsp;Furkan T. Saricaoglu,&nbsp;Imran Ali Hashmi","doi":"10.1002/cplu.202500294","DOIUrl":"10.1002/cplu.202500294","url":null,"abstract":"<p>This article describes the design and synthesis of an efficient galactose-triazole-based reversed <i>N</i>-nucleoside as a thermoreversible, low molecular weight organogelator <b>8a</b>. The gelator 8a shows a phase-selective behavior toward ethyl acetate with respect to water. Powder X-ray diffraction, scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FTIR), and UV results show that the xerogel has a multilamellar structure due to supramolecular forces identified as H-bonding, van der Waals interactions, and π–π stacking. The viscoelastic behavior of 8a is examined through rheology experiments, suggesting a dominant viscoelastic structure. The dye adsorption studies and desorption characteristics of 8a are explored against disperse dyes, including Foron Red RD-RBLS, Foron Blue SE-2R, and Foron Black S-2B2S via UV, FTIR, and SEM. The data revealed that H-bonding between dye molecules and 8a is the main force responsible for dye adsorption. Adsorption kinetics studies show that physisorption results in dye adsorption. Dye removal efficiency is found to be in the range of 80%–90% in 1 hr without agitation. Thermodynamic studies reveal that dye adsorption is spontaneous. The dyes and <b>8a</b> can be recycled in excellent yields (98% and 92%, respectively) in their pure forms.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"90 10","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fluorescence on the Flow: Continuous Xanthene Dye Synthesis from Gallic Acid in a Coiled Flow Inverter.","authors":"Anikesh Tripathi, Surja Kanta Pal, Swapna Patel, Prakhar Singh, Krishna D P Nigam, Koushik Guha Biswas, Debashis Panda","doi":"10.1002/cplu.202500313","DOIUrl":"https://doi.org/10.1002/cplu.202500313","url":null,"abstract":"<p><p>Transparent coiled flow inverters (CFI), which are superior to opaque coil reactors, are hardly explored in performing condensation reactions of organic molecules. Herein, the continuous flow condensation reaction of gallic acid using CFI is reported with a 4 mm internal diameter. The length of the flow reactor is varied by connecting CFIs in series. Real-time images of reactor captured during flow synthesis resolve the intricacies of reaction dynamics and stages of desired product formation. Stack CFI provides a desired residence time for carrying out reaction at high flow rate. Condensation of gallic acid in dimethyl formamide yields a green emissive xanthene analog. The production of organic emitter is optimized by regulating reactant flow rate and temperature of the reaction. The presence of a vapour-liquid phase boundary enhances the interfacial area, that further contributes to increasing the product yield. The optimized condition for fluorescent product using stack CFI is 190 °C (±5) temperature at 5 mL h^-1 (±0.5) flow rate. A residence time of about 14 h (±1) and a heat flux of 4.46 W m^-2 (±0.5) are desired for maximizing product yield using stack CFI. These suggest that CFI-based flow reactor can easily be tailor-made and economical as well.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":" ","pages":"e202500313"},"PeriodicalIF":2.8,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937258","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Assessment of the Association Constant of the CO2@CB[6] Complex Combining 1H and 13C NMR Spectroscopic Titrations","authors":"Leonard Curet,&nbsp;Abdel Khoukh,&nbsp;William Lafargue Dit Hauret,&nbsp;Marta Martinez-Belmonte,&nbsp;Francis Ehrenfeld,&nbsp;Didier Begué,&nbsp;Laurent Billon,&nbsp;Emilio Palomares,&nbsp;Pablo Ballester,&nbsp;Aurelien Viterisi","doi":"10.1002/cplu.202500209","DOIUrl":"10.1002/cplu.202500209","url":null,"abstract":"<p>A methodology for assessing the association constants of a molecular host binding a ¹³C-enriched gaseous guest, that is, ¹³CO₂, using NMR spectroscopic titrations is described. The method relies on injecting the gaseous guest into the headspace of a gas-tight NMR tube filled with the host's solution. The fraction of the gas dissolved in the liquid solution is quantified via ¹³C NMR spectroscopy using the Electronic Reference To Access In Vivo Concentrations technique without requiring assumptions based on Henry's law. By subsequently recording the ¹H NMR spectrum of the solution mixture, the relationship between the chemical shift changes experienced by the proton signals of the host and the precise concentration of the added gaseous guest can be established. Repeating the process over a range of incremental gas concentrations allows for generating the binding isotherm curve. The nonlinear computer fit of the data to a suitable theoretical binding model returns the values of the association constant and the complexation-induced shift for the protons in the complex. The method is applied to the assessment of the association constant values of the complexes formed from the interaction of ¹³CO₂ with two macrocyclic receptors.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"90 10","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fluorination Modulates Solid-State Reactivity and Guest Confinement in Organoboronic Ester Adducts","authors":"Alaric Shaw,&nbsp;Ivan Bondarenko,&nbsp;Vanshika Bhaniramka,&nbsp;Munroe Alexandra West,&nbsp;Peter F. Gilbert,&nbsp;Jesus Daniel Loya,&nbsp;Changan Li,&nbsp;Gonzalo Campillo-Alvarado","doi":"10.1002/cplu.202500434","DOIUrl":"10.1002/cplu.202500434","url":null,"abstract":"<p>Fluorination of organoboronic ester adducts via B ← N coordination enables the formation of photoactive solids capable of [2 + 2]-photodimerization, or confinement of a hydrocarbon guest (i.e<i>.</i>, benzene). Specifically, self-assembly of organoboronic acids with varying levels and patterns of fluorination with catechol and 4-stilbazole resulted in T-shaped B ← N adducts, that organize into either photoactive dimeric assemblies (2,4- and 3,5-difluorophenlboronic acids) or photostable architectures that encapsulate benzene (2,4,6-trifluorophenylboronic and 2,3,5,6-tetrafluorophenylboronic acids). Combined crystallographic analysis, molecular modeling, and Hirshfeld surface analysis revealed the formation of photoactive adducts with up to two fluorine atoms to be driven by enhanced face-to-face [π…π] stacking aided by [C<span></span>H…π] contacts, while [C<span></span>H…F], [C<span></span>H…O], and [C<span></span>H…π] contacts in adducts with higher fluorination level sustained the inclusion of benzene molecules in the lattice. These findings support fluorination of organoboron systems as an effective strategy for property engineering in molecular materials.</p>","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"90 10","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}