ChemphyschemPub Date : 2025-06-27DOI: 10.1002/cphc.202401148
Marco Favaro, Johanna Eichhorn, Masaru Kuno, Vaidyanathan Ravi Subramanian
{"title":"An Interdisciplinary Perspective to the Application of In Situ/Operando Techniques in Photocatalytic and Electrocatalytic Processes and its Future.","authors":"Marco Favaro, Johanna Eichhorn, Masaru Kuno, Vaidyanathan Ravi Subramanian","doi":"10.1002/cphc.202401148","DOIUrl":"https://doi.org/10.1002/cphc.202401148","url":null,"abstract":"<p><p>Electro- and photodriven catalysis are emerging as viable alternatives to traditional catalytic methods for producing key global consumer products across various applications. The emergence of this class of catalysis is attributable to increasing need for sustainable and ecofriendly pathways to value-added chemical synthesis. The roadmap for the highly diverse and multifaceted field of catalysis continues to evolve, highlighting the growing need of understanding their physical and chemical reaction mechanism. Among the many available characterization techniques, in situ and operando investigations stand out for their ability to provide detailed insights into fundamental physicochemical processes under realistic working conditions. In this article, a select group of representative energy material is discussed, where the application of different in situ/operando techniques successfully generates improved understanding. The primary goal is to emphasize the significance of these techniques, particularly those, which have been commonly employed in studying materials relevant to energy and environmental applications.</p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e2401148"},"PeriodicalIF":2.3,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144504956","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}
ChemphyschemPub Date : 2025-06-24DOI: 10.1002/cphc.70011
Dariusz Chomicki, Oksana Kharchenko, Anna Kaczmarek-Kędziera, Robert Czaplicki, Oksana Krupka, Dorota Kowalska, Seyedeh Arasteh Jahani, Vitaliy Smokal, Beata Derkowska-Zielinska
{"title":"Cover Feature: Thermal Isomerization Rates of New Azoquinoline-Functionalized Copolymers as a Function of Substitution Patterns (ChemPhysChem 12/2025)","authors":"Dariusz Chomicki, Oksana Kharchenko, Anna Kaczmarek-Kędziera, Robert Czaplicki, Oksana Krupka, Dorota Kowalska, Seyedeh Arasteh Jahani, Vitaliy Smokal, Beata Derkowska-Zielinska","doi":"10.1002/cphc.70011","DOIUrl":"https://doi.org/10.1002/cphc.70011","url":null,"abstract":"<p><b>The Cover Feature</b> illustrates chain fragments of a methacrylic copolymer with side-chain quinoline-based azo chromophores. Under UV/blue light illumination, the chromophores undergo <i>trans–cis</i> photoisomerization, adopting a bent conformation. In the dark, they revert via thermal <i>cis–trans</i> isomerization, resuming a linear shape. More information can be found in the Research Article by B. Derkowska-Zielinska and co-workers (DOI: 10.1002/cphc.202401155).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 12","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.70011","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144473146","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemphyschemPub Date : 2025-06-24DOI: 10.1002/cphc.70010
Grazyna Szafraniec-Gorol, Dawid Zych, Sonia Kotowicz, Sylwia Zimosz, Mariola Siwy, Ewa Schab-Balcerzak, Marcin Szalkowski, Sebastian Mackowski, Aneta Slodek
{"title":"Front Cover: Star-Shaped Molecules with Indolo[3,2,1-jk]Carbazole Core: A Comprehensive Study of Light-Emitting Materials (ChemPhysChem 12/2025)","authors":"Grazyna Szafraniec-Gorol, Dawid Zych, Sonia Kotowicz, Sylwia Zimosz, Mariola Siwy, Ewa Schab-Balcerzak, Marcin Szalkowski, Sebastian Mackowski, Aneta Slodek","doi":"10.1002/cphc.70010","DOIUrl":"https://doi.org/10.1002/cphc.70010","url":null,"abstract":"<p><b>The Front Cover</b> shows the star-shaped title compounds placed in the centre of space. In this imaginary galaxy, below a spaceship (Spodek Arena in Katowice), four planets (photos of the compounds in round-bottomed flasks) emit light of the same colour as the compound in the solid state. Each planet also has a moon that shines the same colour as the compound in a solution of dichloromethane. More information can be found in the Research Article by G. Szafraniec-Gorol and co-workers (DOI: 10.1002/cphc.202500072).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 12","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.70010","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144472804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemphyschemPub Date : 2025-06-24DOI: 10.1002/cphc.202401128
Nicola di Nicola, Luca Giacchi, Marco Vandone, Marcello Crucianelli, Leonardo Guidoni, Valentina Colombo, Nadia Rucci, Andrea Lazzarini
{"title":"Targeted Delivery of Lidocaine in Breast Cancer Cells via Zeolitic Imidazolate Framework-8 Nanoparticles.","authors":"Nicola di Nicola, Luca Giacchi, Marco Vandone, Marcello Crucianelli, Leonardo Guidoni, Valentina Colombo, Nadia Rucci, Andrea Lazzarini","doi":"10.1002/cphc.202401128","DOIUrl":"https://doi.org/10.1002/cphc.202401128","url":null,"abstract":"<p><p>The aim of this article is to use zeolitic imidazolate framework-8 (ZIF-8) metal-organic frameworks (MOFs) as drug delivery system for lidocaine, a local anesthetic with recently discovered antitumoral effects, in particular for the early-stage treatment of breast cancer. A previously optimized ZIF-8 synthetic method is employed, and the prepared material is deeply characterized with X-ray powder diffraction (XRPD), surface area analysis, scanning electron microscopy (SEM), and thermogravimetric analysis (TGA). After confirming the successful synthetic outcomes, a tailored loading procedure is developed to incorporate lidocaine within the ZIF-8 pores. The effectiveness of this loading process is verified using UV-Vis spectroscopy and TGA, while SEM and attenuated total reflectance-mid infrared spectroscopy further confirms the presence of lidocaine within the MOF pores. Afterwards, the pH-responsive drug release by dialyzing the lidocaine@ZIF-8 sample is tested either at physiological or at weakly acid pH values by UV spectroscopy on the dialysis solutions. Finally, the MDA-MB-231 breast cancer cells viability of lidocaine@ZIF-8 system is tested and compared with the free drug and the MOF alone, confirming its significant capabilities in the reduction of cells viability.</p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e2401128"},"PeriodicalIF":2.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144483340","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}
ChemphyschemPub Date : 2025-06-10DOI: 10.1002/cphc.202500034
Mykyta Kizilov, Sujeong Jung, Vsevolod Cheburkanov, Vladislav V Yakovlev
{"title":"Fluorescence Lifetime Imaging Microscopy Analysis of Isolated Melanosomes.","authors":"Mykyta Kizilov, Sujeong Jung, Vsevolod Cheburkanov, Vladislav V Yakovlev","doi":"10.1002/cphc.202500034","DOIUrl":"10.1002/cphc.202500034","url":null,"abstract":"<p><p>Melanosomes are organelles found in a wide variety of tissues throughout the animal kingdom. They contain a variety of biological molecules, but the dominant constituent is the pigment melanin, and many functions ascribed to melanosomes, such as photoprotection, are uniquely enabled by the chemical properties and structures of the melanins they contain. In this report, fluorescence lifetime imaging microscopy (FLIM) is used, for the first time, to examine fluorescent properties of pigments in melanosomes and evaluate their time evolution upon extended laser irradiation. A relatively short-lived component is discovered in fluorescence emission and significant changes in lifetimes upon irradiation are revealed indicating structural photoinduced changes to melanin occurring on a time scale of minutes, with observations extending up to 1 h.</p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e2500034"},"PeriodicalIF":2.3,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144257459","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}
ChemphyschemPub Date : 2025-06-05DOI: 10.1002/cphc.202500101
Yue Xu, Dongyue Gao, Ying Li, Yi Fang, Yang Huang, Chengchun Tang, Zhonglu Guo
{"title":"Understanding the CO<sub>2</sub> Activation and Hydrogenation Mechanism on MXene under Electrochemical Conditions.","authors":"Yue Xu, Dongyue Gao, Ying Li, Yi Fang, Yang Huang, Chengchun Tang, Zhonglu Guo","doi":"10.1002/cphc.202500101","DOIUrl":"10.1002/cphc.202500101","url":null,"abstract":"<p><p>MXenes (MXs) are attracting growing interest as promising catalysts for CO<sub>2</sub> reduction reactions. However, the specific activation and reduction mechanism of CO<sub>2</sub> on MXs under realistic electrochemical conditions remain unclear. This study utilizes ab initio molecular dynamics simulations to unravel the kinetic processes of underlying CO<sub>2</sub> activation and hydrogenation under aqueous conditions with Mo<sub>2</sub>C MX as a prototype. These findings reveal that the presence of water molecules significantly enhances the charge transfer of CO<sub>2</sub>, facilitating its activation on MX. Notably, an insight highlights that the initial hydrogenation of *CO<sub>2</sub> on MX prefers to occur on oxygen rather than carbon, favoring the formation of *HOCO over *OCHO. This study proposes that the introduction of alkali metal cations including Li<sup>+</sup>, Na<sup>+</sup>, and Cs<sup>+</sup> can stabilize the adsorption of CO<sub>2</sub> and reaction intermediates on MX via altering the interfacial water structure and hydrogen bonding network and thus effectively inhibiting the competitive hydrogen evolution reaction. Further dynamic vibrational spectra simulations shed light on the interaction between alkaline metal cations and adsorbed CO<sub>2</sub> molecules, which will provide a theoretical basis for the in situ detection of reactants. This work provides a deeper insight into the dynamic solid-liquid interface at the atomic level.</p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e2500101"},"PeriodicalIF":2.3,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144233340","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}
ChemphyschemPub Date : 2025-06-03DOI: 10.1002/cphc.202581102
Sarah Löffelsender, Marilù G. Maraldi, Marc de Wergifosse
{"title":"Cover Feature: All-Atom Quantum Mechanical Methodologies for One- and Two-Photon Absorption of Realistic Systems (ChemPhysChem 11/2025)","authors":"Sarah Löffelsender, Marilù G. Maraldi, Marc de Wergifosse","doi":"10.1002/cphc.202581102","DOIUrl":"https://doi.org/10.1002/cphc.202581102","url":null,"abstract":"<p><b>The Cover Feature</b> shows how, by explicitly including the surroundings and dynamic structural effects, all-atom QM methodologies using simplified quantum chemistry methods allow one- and two-photon absorption spectra of realistic systems to be computed within reasonable computational times. Excellent comparisons with respect to experiment are provided for the flavin mononucleotide in aqueous solution as well as two proteins. More information can be found in the Research Article by M. de Wergifosse and co-workers (DOI: 10.1002/cphc.202401121).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 11","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202581102","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144206650","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemphyschemPub Date : 2025-06-03DOI: 10.1002/cphc.202581101
Yang Xiao, Xia Wang, Xiufen Yan, Zeyu Liu, Mengdi Zhao, Tian Lu
{"title":"Front Cover: Structure and Optical Properties of Alkali-Metal Ion (Li+, Na+, K+, Rb+, and Cs+) Endohedral Cyclo[18]carbon (ChemPhysChem 11/2025)","authors":"Yang Xiao, Xia Wang, Xiufen Yan, Zeyu Liu, Mengdi Zhao, Tian Lu","doi":"10.1002/cphc.202581101","DOIUrl":"https://doi.org/10.1002/cphc.202581101","url":null,"abstract":"<p><b>The Front Cover</b> shows one of ten complexes theoretically designed by cyclo[18]carbon (C<sub>18</sub>) inside and outside complexing alkali-metal ion (M<sup>+</sup> = Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Rb<sup>+</sup>, and Cs<sup>+</sup>), respectively referred to as M<sup>+</sup>@C<sub>18</sub><sup>in</sup> and M<sup>+</sup>@C<sub>18</sub><sup>out</sup>. The effects of the atomic number of the alkali metal on structure, binding interaction, electronic absorption spectrum, and molecular (hyper)polarizability of the endohedral complexes M<sup>+</sup>@C<sub>18</sub><sup>in</sup> were studied by using accurate (time-dependent) density functional theory calculations. More information can be found in the Research Article by Z. Liu, M. Zhao, T. Lu and co-workers (DOI: 10.1002/cphc.202500009).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 11","pages":""},"PeriodicalIF":2.3,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202581101","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144206649","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemphyschemPub Date : 2025-06-02DOI: 10.1002/cphc.202500154
Kangkan Sarmah, Li-Xia Bai, Jin-Chang Guo, Ankur K Guha
{"title":"Planar Tetracoordinate Fluorine in Binary Clusters.","authors":"Kangkan Sarmah, Li-Xia Bai, Jin-Chang Guo, Ankur K Guha","doi":"10.1002/cphc.202500154","DOIUrl":"10.1002/cphc.202500154","url":null,"abstract":"<p><p>Planar tetracoordinate fluorine (ptF) species are rare and exotic due to the extreme electronegativity of fluorine. Herein, a ptF species is predicted in the binary Li<sub>4</sub>F<sub>4</sub> <sup>-</sup> and Na<sub>4</sub>F<sub>4</sub> <sup>-</sup> clusters. The global minimum of the clusters features C<sub>2v</sub> geometry and are stabilized by significant electrostatic interaction. Moreover, multicenter ionic bonds also play a vital role in the stability of the planar C<sub>2v</sub> geometry. The present study establishes the first example of ptF center in binary alkali halide cluster.</p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e2500154"},"PeriodicalIF":2.3,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144198323","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}
ChemphyschemPub Date : 2025-06-02DOI: 10.1002/cphc.202500289
Shagun Sharma, Richa Garg, Kush Kaushik, Chayan Kanti Nandi
{"title":"Doping of Silver Atom Enhances the Fluorescence Intensity in Glutathione Functionalized Gold Nanoclusters.","authors":"Shagun Sharma, Richa Garg, Kush Kaushik, Chayan Kanti Nandi","doi":"10.1002/cphc.202500289","DOIUrl":"10.1002/cphc.202500289","url":null,"abstract":"<p><p>Glutathione (GSH) is a widely used surface ligand for stabilizing metal nanoclusters owing to its biocompatibility, strong metal-chelating ability, antioxidant properties, and minimal affinity for endogenous cellular proteins. However, the low quantum yield of GSH-protected gold nanoclusters (GSH-Au NCs) limits its practical applications. In the present study, silver (Ag) doping is employed in GSH-Au NCs to significantly enhance the photoluminescence intensity as well as lifetime, while preserving the microenvironment and the surface reactivity essential for subsequent functionalization. The doped nanoclusters exhibit a remarkable sixfold increase in luminescence. This is attributed to the modulation of metal(I)-thiolate motifs and the amplification of aurophillic interactions, leading to more rigid structure which help to reduce non-radiative deexcitation pathways.</p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e2500289"},"PeriodicalIF":2.3,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144198322","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}