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, Zhe Liu, Yadong Yu, Yi Fang, Yang Huang, Chengchun Tang, Zhonglu Guo
{"title":"Understanding the CO2 Activation and Hydrogenation Mechanism on MXene under Electrochemical Conditions.","authors":"Yue Xu, Dongyue Gao, Ying Li, Zhe Liu, Yadong Yu, Yi Fang, Yang Huang, Chengchun Tang, Zhonglu Guo","doi":"10.1002/cphc.202500101","DOIUrl":"https://doi.org/10.1002/cphc.202500101","url":null,"abstract":"<p><p>MXenes are attracting growing interest as promising catalysts for CO2 reduction reactions. However, the specific activation and reduction mechanism of CO2 on MXenes under realistic electrochemical conditions remains unclear. In this study, we utilize ab initio molecular dynamics simulations to unravel the kinetic processes of underlying CO2 activation and hydrogenation under aqueous conditions with Mo2C MXene as a prototype. Our findings reveal that the presence of water molecules significantly enhances the charge transfer of CO2, facilitating its activation on MXene. Notably, we highlight an insight that the initial hydrogenation of *CO2 on MXene prefers to occur on oxygen rather than carbon, favoring the formation of *HOCO over *OCHO. We proposed that the introduction of alkali metal cations including Li+, Na+, and Cs+ can stabilize the adsorption of CO2 and reaction intermediates on MXene via altering the interfacial water structure and hydrogen bonding network, and thus effectively inhibiting the competitive hydrogen evolution reaction (HER). Further dynamic vibrational spectra simulations shed light on the interaction between alkaline metal cations and adsorbed CO2 molecules, which will provide a theoretical basis for the in-situ detection of reactants. Our work provides a deeper insight into the dynamic solid-liquid interface at the atomic level.</p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202500101"},"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 Kanti Guha
{"title":"Planar Tetracoordinate Fluorine in Binary Clusters.","authors":"Kangkan Sarmah, Li-Xia Bai, Jin-Chang Guo, Ankur Kanti Guha","doi":"10.1002/cphc.202500154","DOIUrl":"https://doi.org/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 planar tetracoordinate fluorine (ptF) species is predicted in the binary Li4F4- and Na4F4- clusters. The global minimum of the clusters feature C2v geometry and are stabilized by significant electrostatic interaction. Moreover, multicentre ionic bonds also play a vital role in the stability of the planar C2v geometry. The present study establishes the first example of ptF centre in binary alkali halide cluster.</p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202500154"},"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":"https://doi.org/10.1002/cphc.202500289","url":null,"abstract":"<p><p>Glutathione (GSH) is 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 (QY) of GSH-protected gold nanoclusters (GSH-Au NCs) limits its practical applications. In the present study, we employed silver (Ag) doping to GSH-Au NCs to significantly enhance the photoluminescence (PL) intensity as well as lifetime, while preserving the microenvironment and the surface reactivity essential for subsequent functionalization. The doped nanoclusters exhibit a remarkable six-fold 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":"e202500289"},"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}
ChemphyschemPub Date : 2025-05-29DOI: 10.1002/cphc.202401156
Sunil Kumar Moharana, P Padma Kumar
{"title":"Molecular Dynamics Investigations of the Melt-Quenched Phase of Mg-Doped Li-Rich Anti-Perovskite.","authors":"Sunil Kumar Moharana, P Padma Kumar","doi":"10.1002/cphc.202401156","DOIUrl":"10.1002/cphc.202401156","url":null,"abstract":"<p><p>Molecular dynamics simulation emulating the conventional melt-quenching technique is carried out to investigate the local structural and dynamical properties of Mg-doped Li-rich anti-perovskites, Li<sub>2.8</sub>Mg<sub>0.1</sub>OCl. The melt-quenched structure stabilizes in the native cubic phase of ABX<sub>3</sub>, with a volume expansion of about 6.3%. While LiCl, Li<sub>2</sub>O, or MgCl<sub>2</sub> phases are absent, sub-nanoscopic MgO<sub>m</sub> moieties are found dispersed in the matrix. The defect-rich cubic phase of the quench has a substantial amount of positionally disordered Cl and O sites. The Li<sup>+</sup> mobility in the matrix is found to be very close to that of the ideal crystalline phase.</p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e2401156"},"PeriodicalIF":2.3,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144180642","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}