Chemphyschem最新文献_第10页

Probing Self-Association of (+)-Catechin Coupled with Hydrogen-Deuterium Exchange by Solution NMR Spectroscopy 溶液核磁共振光谱法探测(+)-儿茶素与氢-氘交换的自结合。

IF 2.2 3区化学

Chemphyschem Pub Date : 2025-07-28 DOI: 10.1002/cphc.202500325

Giacomo Zuccon, Edoardo Longo, Vitali Tugarinov, Emanuele Boselli, Alberto Ceccon

{"title":"Probing Self-Association of (+)-Catechin Coupled with Hydrogen-Deuterium Exchange by Solution NMR Spectroscopy","authors":"Giacomo Zuccon, Edoardo Longo, Vitali Tugarinov, Emanuele Boselli, Alberto Ceccon","doi":"10.1002/cphc.202500325","DOIUrl":"10.1002/cphc.202500325","url":null,"abstract":"Flavan-3-ols, a subclass of flavonoids found in tea, wine, and other plant-derived foods, exhibit potent antioxidant activity and contribute to various health benefits. Their ability to self-associate into supramolecular structures influences their stability, bioavailability, and function in complex matrices. In this study, we investigate the hydrogen–deuterium (H/D) exchange kinetics at the C6 and C8 positions on the A-ring of (+)-catechin, a widely occurring flavan-3-ol, using 1H nuclear magnetic resonance spectroscopy. At low concentrations, the exchange follows a two-step pseudo-first-order mechanism, with slightly faster deuteration at C6 than at C8 under physiological conditions (298 K, pD 6). Unexpectedly, higher catechin concentrations lead to accelerated exchange rates, not attributable to pD variation but rather to reversible self-association. Through analysis of exchange-induced chemical shift changes (<math></math>, Carr–Purcell–Meiboom–Gill (CPMG) relaxation dispersion data, and peak intensity time courses, this study characterizes a weak, transient monomer–dimer equilibrium (lifetime ≈ milliseconds). Importantly, the deuteration rate within the dimer is up to 170-fold faster than in the monomer. These findings uncover a previously unrecognized role of transient self-assembly in modulating the reactivity of polyphenols in solution and underscore the relevance of H/D exchange at carbon centers as a sensitive probe for supramolecular dynamics in polyphenolic systems.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 19","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144728317","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}

引用次数: 0

Self-Organization of 2D and 3D Metamaterials in Nematic Liquid Crystals 向列液晶中二维和三维超材料的自组织。

IF 2.2 3区化学

Chemphyschem Pub Date : 2025-07-28 DOI: 10.1002/cphc.202500272

Anu Koviloor Manian, Jayasri Dontabhaktuni

{"title":"Self-Organization of 2D and 3D Metamaterials in Nematic Liquid Crystals","authors":"Anu Koviloor Manian, Jayasri Dontabhaktuni","doi":"10.1002/cphc.202500272","DOIUrl":"10.1002/cphc.202500272","url":null,"abstract":"Liquid crystals (LCs) are a fascinating class of materials with anisotropic optical and dielectric properties making them ideal candidates for forming self-organized 2D and 3D photonic structures. They form a versatile medium to support self-organization of structures into periodic, aperiodic, and quasiperiodic structures in 2D and 3D. Key driving forces behind self-organization in LCs include elastic distortions, surface anchoring, and external fields. External stimuli such as electric or magnetic fields, temperature gradients, or light irradiation can reorient LC molecules, providing dynamic control over the self-assembled structures. Hence, these structures interact with incoming light, enabling applications in tunable photonic devices. These photonic structures, particularly in the subdiffraction limit, called as metamaterials, give rise to unprecedented control of light. Metamaterials and their novel applications as well as self-assembly in LCs are well-reviewed subjects. However, there are very few articles on burgeoning and novel field of LC-integrated metamaterials, which is a subject of interest in the current article. In this article, we provide an extensive review of nematic LC-based metasurfaces giving rise to advanced functionalities of light manipulation such as beam steering, light detection and ranging, holography, sensing, and multifunctional and reconfigurable optoelectronic devices.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 17","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144728319","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}

引用次数: 0

Strain-Tunable Band Alignment and Photoelectric Properties of CaAl2S4/InGaSe2 van der Waals Heterostructure CaAl2S4/InGaSe2范德华异质结构的应变可调谐带对准和光电性质

IF 2.2 3区化学

Chemphyschem Pub Date : 2025-07-25 DOI: 10.1002/cphc.202500281

Weiqi Fu, Yicheng Wang, Xing Xu, Yipeng Zhao, Liang Ma, Shiqing Tang

{"title":"Strain-Tunable Band Alignment and Photoelectric Properties of CaAl2S4/InGaSe2 van der Waals Heterostructure","authors":"Weiqi Fu, Yicheng Wang, Xing Xu, Yipeng Zhao, Liang Ma, Shiqing Tang","doi":"10.1002/cphc.202500281","DOIUrl":"10.1002/cphc.202500281","url":null,"abstract":"Hexagonal α1-CaAl2S4 and Janus α1-InGaSe2, featuring unique physical and chemical attributes, stand out as exceptional contenders for optoelectronic implementations. However, on account of weak absorption of visible and UV light, α1-CaAl2S4 faces limitations in optoelectronic device applications. Constructing a heterojunction with α1-CaAl2S4 and α1-InGaSe2 can significantly enhance photon absorption in both the visible and UV domains. This research employs first-principles simulations to scrutinize the optical and electrical properties of α1-CaAl2S4, α1-InGaSe2, and the heterojunctions formed by these two materials. The output of the calculations shows that CaAl2S4/InGaSe2 heterojunction demonstrates a remarkable enhancement with respect to light collection efficiency across the visible and UV span. The CaAl2S4/InGaSe2 heterojunctions with different stacking structures exhibit type-I and type-II alignment modes, respectively. Furthermore, the bandgap value and type of heterojunctions can be effectively controlled by modulating the interlayer spacing and applying biaxial strain, resulting in a variety of band alignments and light absorption properties. These findings provide new material options and technological pathways for developing high-efficiency photovoltaic cells, photoresponsive devices, solid-state lighting elements, and novel photocatalytic and integrated optoelectronic devices.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 19","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144706507","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}

引用次数: 0

Corrigendum: Reverse Dual-Ion Battery Enabled by Reversing the Cation/Anion Storage Mechanism in an Aqueous ZnCl2 Water-in-Salt Electrolyte 更正：反向双离子电池通过逆转阳离子/阴离子存储机制在含水的ZnCl2盐中水电解质中实现。

IF 2.2 3区化学

Chemphyschem Pub Date : 2025-07-23 DOI: 10.1002/cphc.202500449

{"title":"Corrigendum: Reverse Dual-Ion Battery Enabled by Reversing the Cation/Anion Storage Mechanism in an Aqueous ZnCl2 Water-in-Salt Electrolyte","authors":"","doi":"10.1002/cphc.202500449","DOIUrl":"10.1002/cphc.202500449","url":null,"abstract":"Asis Sethi,[a,b] Anil Kumar U.,[a,b] and Vishal M. Dhavale*[a,b][a]Mr Asis Sethi, Mr Anil Kumar U., and Dr Vishal M. DhavaleCSIR-Central Electrochemical Research Institute, CSIR Madras Complex, Taramani, 600 113 Chennai, TamilNadu, IndiaE-mail: [email protected][b]Mr Asis Sethi, Mr Anil Kumar U., and Dr Vishal M. DhavaleAcademy of Scientific and Innovative Research (AcSIR), Ghaziabad- 201002, IndiaAccording to the new guidelines of Academy of Scientific and Innovative Research (AcSIR), the address for the second affiliation in the original manuscript (DOI: https://doi.org/10.1002/cphc.202300098, Date of Publication: 23 May 2023), “Academy of Scientific and Innovative Research (AcSIR), 201002 Ghaziabad, Uttar Pradesh, India” should have been “Academy of Scientific and Innovative Research (AcSIR), Ghaziabad- 201002, India”. We regret the mistake.Incorrect affiliation as published:[b] A. Sethi, A. Kumar U., Dr. V. M. DhavaleAcademy of Scientific and Innovative Research (AcSIR), 201 002 Ghaziabad, Uttar Pradesh, IndiaCorrect affiliation should be:[b] A. Sethi, A. Kumar U., Dr. V. M. DhavaleAcademy of Scientific and Innovative Research (AcSIR), Ghaziabad- 201002, IndiaAll the authors have approved the correction of the affiliation, and the correction doesn't affect the scientific content, results, or conclusions of the original work published. The authors apologize for any inconvenience caused.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 18","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202500449","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144697711","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}

引用次数: 0

Kinetic and Thermodynamic Study of Proton Transfer Reactions of 1-Hydroxy-2,2-Dinitroethane: Establishing a Predictive Relationship between Tautomeric and Acidity Constants in Water 1-羟基-2,2-二硝基乙烷质子转移反应的动力学和热力学研究：水中互变异构常数与酸度常数的预测关系

IF 2.2 3区化学

Chemphyschem Pub Date : 2025-07-23 DOI: 10.1002/cphc.202500219

Rania Khaldi, Amel Hedhli, Taoufik Boubaker

{"title":"Kinetic and Thermodynamic Study of Proton Transfer Reactions of 1-Hydroxy-2,2-Dinitroethane: Establishing a Predictive Relationship between Tautomeric and Acidity Constants in Water","authors":"Rania Khaldi, Amel Hedhli, Taoufik Boubaker","doi":"10.1002/cphc.202500219","DOIUrl":"10.1002/cphc.202500219","url":null,"abstract":"The proton transfer reactions of the nitronate anion derived from 1-hydroxy-2,2-dinitroethane 1 with HCl and carboxylic acid buffers in aqueous solution at 25 °C are investigated through a comprehensive kinetic and thermodynamic analysis. The reaction mechanism is elucidated, allowing the determination of acidity constants for both O-protonation (<math></math> = 1.67) and C-protonation (<math></math> = 3.78), which are among the weakest reported for nitroalkanes in water to date. The intrinsic rate constant (log ko = 1.60), determined using the Marcus approach, is markedly lower than typical values reported for nitrile protonation, reflecting the exceptional resonance stabilization of the conjugate base by the strongly electron-withdrawing NO2 groups. Most importantly, by combining reported data from the literature with the results obtained in this study, a fundamental and predictive relationship between the tautomeric equilibrium constants (pKN = <math></math>-<math></math>) and the acidity constants (<math></math>) of nitroalkanes in water has been established. This unprecedented linear correlation allows to estimate the acidity constants of the nitronic acids of four nitroalkanes in water, which were previously experimentally inaccessible. To the best of knowledge, this work is among the first to exploit such an approach, representing a significant advancement in understanding the structure–reactivity relationships governing the protonation of carbon and oxygen sites in nitroalkanes.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 17","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202500219","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144688993","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}

引用次数: 0

Exploring Pillar[6]quinone as Cathode Material for Aqueous Zinc-Ion Batteries 柱状[6]醌作为锌离子电池正极材料的研究。

IF 2.2 3区化学

Chemphyschem Pub Date : 2025-07-23 DOI: 10.1002/cphc.202500422

Serkan Yeşilot, Nazmiye Kılıç, Selin Sariyer, Yasemin Solmaz, Merve Güner, Rezan Demir-Cakan

引用次数: 0

Tuning the Fe-Oxide Nanoparticle Properties by Playing with Salt Precursors and Camellia sinensis Extract Concentrations 通过调节盐前体和茶花提取物浓度来调节铁氧化物纳米颗粒的性质。

IF 2.2 3区化学

Chemphyschem Pub Date : 2025-07-23 DOI: 10.1002/cphc.202500226

Renzo Rueda-Vellasmin, Juan A. Ramos-Guivar, Jeferson Marques Santos, Noemi-Raquel Checca-Huaman, Edson C. Passamani

{"title":"Tuning the Fe-Oxide Nanoparticle Properties by Playing with Salt Precursors and Camellia sinensis Extract Concentrations","authors":"Renzo Rueda-Vellasmin, Juan A. Ramos-Guivar, Jeferson Marques Santos, Noemi-Raquel Checca-Huaman, Edson C. Passamani","doi":"10.1002/cphc.202500226","DOIUrl":"10.1002/cphc.202500226","url":null,"abstract":"By varying salt precursors and precipitating agents, polyphenol-functionalized γ-Fe2O3 nanoparticles (NPs) were systematically biosynthesized with controlled particle sizes and varying polyphenol layer thicknesses via two distinct approaches. In the in situ process (ISP), green tea (GT) extract influenced the formation of particles with different sizes during the synthesis, while in the after synthesis process (ASP), it enabled the functionalization of preformed γ-Fe2O3 NPs. The use of GT extract significantly reduced the amount of precipitating agent (NH4OH or NaOH) commonly used in the coprecipitation method. However, even in a polyphenol-rich environment, the Fe3O4 phase is detected only a few hours after the ISP. Results from various characterization techniques revealed that altering the GT extract content—expressed as percent weight-to-volume (x = %w/v)—affects the nanocrystallite size, magnetic behavior, and hyperfine properties, particularly in samples biosynthesized via ISP. Functionalization with GT extract enhanced the effective magnetic anisotropy of the γ-Fe2O3 NPs compared to bare γ-Fe2O3 NPs; however, this anisotropy decreased progressively as the x-value increases. This trend suggests that the thicker organic layer reduced interparticle dipolar interactions by improving the dispersion of the magnetic NPs.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 18","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202500226","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144697713","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}

引用次数: 0

Adjustment of the Proton-Accepting Ability of Π-Bonds and Lone Pairs Π-Bonds和孤对质子接受能力的调整。

IF 2.2 3区化学

Chemphyschem Pub Date : 2025-07-22 DOI: 10.1002/cphc.202500448

Akhtam Amonov, Steve Scheiner

引用次数: 0

Surface-Enhanced Raman Scattering Properties of Densely-Packed Thin-Films Fabricated using Mixed Gold Nanoparticles with Different Diameters 不同直径混合金纳米颗粒制备致密薄膜的表面增强拉曼散射特性。

IF 2.2 3区化学

Chemphyschem Pub Date : 2025-07-21 DOI: 10.1002/cphc.202500250

Natsuki Koyama, Hironobu Tahara, Takeo Oku, Tsuyoshi Akiyama

引用次数: 0

Enhanced CO2 Adsorption and Conversion Induced by Surface Oxygen Vacancy on Low-Index (010) Surface of Anatase TiO2 低指数（010）锐钛矿TiO2表面氧空位诱导CO2吸附和转化

IF 2.2 3区化学

Chemphyschem Pub Date : 2025-07-21 DOI: 10.1002/cphc.202500245

Meng Yu, Renjie Li, Junjie Li, Xiaolong Yang, Yanhua Peng

{"title":"Enhanced CO2 Adsorption and Conversion Induced by Surface Oxygen Vacancy on Low-Index (010) Surface of Anatase TiO2","authors":"Meng Yu, Renjie Li, Junjie Li, Xiaolong Yang, Yanhua Peng","doi":"10.1002/cphc.202500245","DOIUrl":"10.1002/cphc.202500245","url":null,"abstract":"Understanding the CO2 adsorption and conversion on low-index (010) surface exposed in anatase TiO2 is vital to improve the catalytic efficiency. Herein, different stable adsorption configurations on (010) surfaces of anatase TiO2 are studied through density functional theory calculations. It is an interesting finding on perfect surface that the adsorption energies are weak although carbonate-like complex relates to a strong interaction between CO2 and surfaces. Such a scenario is also established on defective (010) surfaces. Moreover, oxygen vacancy plays a greatly important role in the CO2 adsorption and activation on anatase (010) surfaces. The introduction of oxygen vacancy not only promotes CO2 to stably adsorb on defective surfaces with higher adsorption energies as compared to perfect ones, but also dissociates one CO bond of CO2 for filling the vacancy and forms a CO molecule. Just as interesting is that the oxygen vacancy can also be filled by the C atom instead of the O atom when CO2 horizontally adsorbs at the defect site. This work offers theoretical guidance to devise excellent materials for CO2 conversion.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"26 18","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144682049","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}

引用次数: 0