The Journal of Physical Chemistry Letters最新文献_第10页

Multiple Molecule λ-Dynamics: Probing Drug Resistance with Concurrent Protein and Ligand Perturbations 多分子λ动力学：用蛋白质和配体同步扰动探测耐药性

IF 6.475 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2025-06-12 DOI: 10.1021/acs.jpclett.5c00467

Michael P. Liesen, Ryan L. Hayes, Charles L. Brooks III, Jonah Z. Vilseck

引用次数: 0

Amphiphilic Copolymers and Their Role in the Study of Membrane Proteins. 两亲性共聚物及其在膜蛋白研究中的作用。

IF 4.8 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2025-06-12 Epub Date: 2025-06-03 DOI: 10.1021/acs.jpclett.5c00680

Gestél C Kuyler, Elaine Barnard, Randy D Cunningham, Sinothando Sibariboyi, Luke White, Ilanie Wessels, Michael-Phillip Smith, Bennie Motloung, Bert Klumperman

{"title":"Amphiphilic Copolymers and Their Role in the Study of Membrane Proteins.","authors":"Gestél C Kuyler, Elaine Barnard, Randy D Cunningham, Sinothando Sibariboyi, Luke White, Ilanie Wessels, Michael-Phillip Smith, Bennie Motloung, Bert Klumperman","doi":"10.1021/acs.jpclett.5c00680","DOIUrl":"10.1021/acs.jpclett.5c00680","url":null,"abstract":"Amphiphilic copolymers have revolutionized the study of membrane proteins (MPs), where MPs are known to be critical targets in pharmaceutical development due to their roles in various physiological processes. Traditionally, MP extraction has relied on detergents, which often compromise the protein integrity. Advancements over the past 15 years include the use of poly(styrene-co-maleic acid) (SMA) to form nanoscale SMALPs (styrene maleic acid lipid particles), enabling detergent-free MP extraction. SMALPs preserve the native environment of MPs, facilitating their detailed analysis through a wide range of biophysical techniques. Despite their advantages, SMA-based technologies face challenges such as sensitivity to divalent cations and instability under low pH conditions. Ongoing research focuses on developing next-generation polymers with enhanced properties, utilizing controlled polymerization techniques to obtain narrow molecular weight distributions and chain-end functionality. This paper explores various SMA derivatives and alternative polymer systems like poly(diisobutylene-alt-maleic acid) (DIBMA) and polymethacrylates, offering potential solutions to current limitations and expanding the toolkit for MP research and application.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":" ","pages":"5784-5799"},"PeriodicalIF":4.8,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12169657/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207217","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Cavity-Assisted Coherent Phonon Generation and Control in a WSe2/Au Structure WSe2/Au结构中腔辅助相干声子的产生与控制

IF 4.8 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2025-06-12 DOI: 10.1021/acs.jpclett.5c0119010.1021/acs.jpclett.5c01190

Christian Brennan, Kiyoung Jo, Chih-Feng Wang, Alan G. Joly, Brian T. O’Callahan, William Edward Farias, Alexander Donald Bielicki, Alem Teklu, Leilei Shi, Qian Zhang, Narayanan Kuthirummal, Ming Hu, Rongying Jin and Yu Gong*,

{"title":"Cavity-Assisted Coherent Phonon Generation and Control in a WSe2/Au Structure","authors":"Christian Brennan, Kiyoung Jo, Chih-Feng Wang, Alan G. Joly, Brian T. O’Callahan, William Edward Farias, Alexander Donald Bielicki, Alem Teklu, Leilei Shi, Qian Zhang, Narayanan Kuthirummal, Ming Hu, Rongying Jin and Yu Gong*, ","doi":"10.1021/acs.jpclett.5c0119010.1021/acs.jpclett.5c01190","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c01190https://doi.org/10.1021/acs.jpclett.5c01190","url":null,"abstract":"Coherent phonons in the Terahertz (THz) regime have gained attention as potential candidates for next-generation high-speed, low-energy information carriers in atomically thin phononic or phonon-integrated on-chip devices. Nevertheless, achieving efficient control of the phonon generation dynamics over THz coherent phonons continues to pose a considerable challenge. In this work, we explore THz coherent phonon generation in exfoliated van der Waals (vdW) flakes of WSe2 on Au (WSe2/Au) and Si (WSe2/Si) by using time-resolved pump–probe spectroscopy. The generation of THz coherent phonons was studied as a function of the WSe2 layer thickness and laser wavelength. Notably, a significant enhancement in THz coherent phonon generation was observed in the WSe2/Au structure, but only within a specific range of WSe2 thicknesses and laser wavelengths. The results from numerical simulations, which consider a self-hybridized optical cavity depending on WSe2 thickness and optical reflectance and Raman spectroscopy measurements, all align well with the time-domain observations of THz coherent phonon generation. We propose that the observed enhancement in THz coherent phonon generation is strongly influenced by light–matter interactions in the WSe2 cavity, a mechanism that may be applicable to a broader range of vdW materials. These findings offer promising insights for the development of THz phononic or phonon-integrated devices.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"16 24","pages":"6226–6233 6226–6233"},"PeriodicalIF":4.8,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Cavity-Mediated Collective Resonant Suppression of Local Molecular Vibrations 局部分子振动的腔介导集体共振抑制

IF 6.475 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2025-06-12 DOI: 10.1021/acs.jpclett.5c01124

Vasil Rokaj, Ilia Tutunnikov, H. R. Sadeghpour

{"title":"Cavity-Mediated Collective Resonant Suppression of Local Molecular Vibrations","authors":"Vasil Rokaj, Ilia Tutunnikov, H. R. Sadeghpour","doi":"10.1021/acs.jpclett.5c01124","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c01124","url":null,"abstract":"Recent advances in polaritonic chemistry suggest that chemical reactions can be controlled via collective vibrational strong coupling (VSC) in a cavity. In this fully analytical work, we demonstrate that the collective vibrations of a molecular ensemble under VSC execute a beating with a period inversely proportional to the collective vacuum Rabi splitting. Significantly, this collective beating is imprinted on the local dynamics and resonantly suppresses individual molecular vibrations when a fraction of molecules is vibrationally excited, as in activated complexes formed in chemical reactions. This emergent beating occurs on significantly longer time scales than the individual molecular vibration or the cavity field oscillation period, peaking at the cavity-molecule resonance, consistent with polaritonic chemistry experiments. The cavity mediates an energy exchange between excited and ground-state molecules, affecting the dynamics of the entire ensemble. These findings suggest that the dynamics in polaritonic chemical reactions may not be in full equilibrium. In the ultrastrong coupling regime, we find that the local vibrations are modified by the cavity even at short time scales. Notably, these dynamical effects also extend to isotropic molecular ensembles in our model. Our analytical model offers insights into how collective VSC can dampen local molecular vibrations at resonance, potentially altering chemical reactivity.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"19 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144269418","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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-Catalyzed Carbon Nanotubes with Dual-Active-Site Co/CoN4 Motifs for High-Efficiency Bifunctional Oxygen Electrocatalysis 具有双活性位点Co/CoN4基序的自催化碳纳米管用于高效双功能氧电催化

IF 6.475 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2025-06-12 DOI: 10.1021/acs.jpclett.5c01105

Wenhui Deng, Yuhao Luo, Kewei Wu, Yanqiu Wang, Hongtao Liu, Xiaoqing Qiu, Kang Liu, Junwei Fu, Wenzhang Li, Min Liu

{"title":"Self-Catalyzed Carbon Nanotubes with Dual-Active-Site Co/CoN4 Motifs for High-Efficiency Bifunctional Oxygen Electrocatalysis","authors":"Wenhui Deng, Yuhao Luo, Kewei Wu, Yanqiu Wang, Hongtao Liu, Xiaoqing Qiu, Kang Liu, Junwei Fu, Wenzhang Li, Min Liu","doi":"10.1021/acs.jpclett.5c01105","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c01105","url":null,"abstract":"Carbon nanotubes (CNTs) have garnered significant attention due to their large specific surface area and efficient mass transfer properties. However, the construction of well-ordered CNT catalysts with high-efficiency bifunctional oxygen electrocatalytic activity remains a significant challenge. Herein, the uniform size of CNTs with high-density dual-active-site Co/CoN4 motifs (A-Co/Co-NC) is rationally designed and fabricated through an in situ metal–ligand anchoring method (N → Co2+) followed by a pyrolysis process. The selected 2,6-diaminopurine (DAP) can anchor and disperse Co ions in N sites, which will form uniform CNTs with Co NPs and CoN4 active sites during the pyrolysis process. Theoretical calculation and in situ characteristics clearly proved that Co NP works as an OER active unit and that CoN4 acts as an ORR active site. Benefiting from the high-density dual-active-site Co/CoN4 motifs, the A-Co/Co-NC catalyst displays superior bifunctional performance (ΔE = 0.76 V). Therefore, the A-Co/Co-NC-based zinc–air battery (ZAB) exhibits distinguished reversibility. Remarkably, the A-Co/Co-NC-based Al–air battery (AAB) has a high power density (129.12 mW cm–2). This work provides a feasible design concept to obtain well-organized CNTs with highly dispersed active sites.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"22 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144269450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Brief Guide to Transformation of Constant Phase Element Impedance to Equivalent Capacitor or Inductor 恒相元件阻抗转换为等效电容或电感的简要指南

IF 4.8 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2025-06-12 DOI: 10.1021/acs.jpclett.5c0113110.1021/acs.jpclett.5c01131

Juan Bisquert*, and , Enrique H. Balaguera,

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Neutral-Exciton Emission from Single Perovskite Nanocrystals Memorizing the Pre-Existence of a Local Electric Field. 记忆局域电场预先存在的单钙钛矿纳米晶体的中性激子发射。

IF 4.8 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2025-06-12 Epub Date: 2025-06-04 DOI: 10.1021/acs.jpclett.5c01084

Rentong Duan, Yang Li, Shengnan Feng, Fengrui Hu, Yan Lv, Chunfeng Zhang, Min Xiao, Xiaoyong Wang

{"title":"Neutral-Exciton Emission from Single Perovskite Nanocrystals Memorizing the Pre-Existence of a Local Electric Field.","authors":"Rentong Duan, Yang Li, Shengnan Feng, Fengrui Hu, Yan Lv, Chunfeng Zhang, Min Xiao, Xiaoyong Wang","doi":"10.1021/acs.jpclett.5c01084","DOIUrl":"10.1021/acs.jpclett.5c01084","url":null,"abstract":"Semiconductor lead-halide perovskite nanocrystals (NCs) are associated with a soft ionic lattice interacting strongly with the photogenerated charge carriers, which can bring about very novel photophysical properties in these quantum-confined materials with a large surface-to-volume ratio. Here we have performed high-resolution optical measurements on single perovskite CsPbI3 NCs at the cryogenic temperature of ∼4 K, with a specific focus on how an extra charge trapped on the surface influences the recombination energies of their neutral and charged excitons. As expected, the surface-trapped charge can impart a local electric field on the charged exciton inside a single CsPbI3 NC, leading to the shift of its recombination energy mainly by the quantum-confined Stark effect. Interestingly, the neutral-exciton recombination energy is also shifted even after the surface-trapped charge has disappeared for a time period longer than ∼2 μs, signifying that the lattice distortion induced by the previous local electric field is not fully relaxed at this time scale. The above findings have established very unique charge-property relationships in lead-halide perovskite NCs, the understanding and manipulation of which are critical to their practical performance in various classical and quantum optical applications.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":" ","pages":"5827-5834"},"PeriodicalIF":4.8,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

New Osmocene and Ruthenocene Phases Reveal the Common Conformational Behavior Regulated by Anagostic Bonds in Prototypical Metallocenes. 新的渗透新相和红宝石新相揭示了典型茂金属中由难解键调节的共同构象行为。

IF 4.8 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2025-06-12 Epub Date: 2025-06-03 DOI: 10.1021/acs.jpclett.5c00686

Ida Moszczyńska, Marek Szafrański, Andrzej Katrusiak

{"title":"New Osmocene and Ruthenocene Phases Reveal the Common Conformational Behavior Regulated by Anagostic Bonds in Prototypical Metallocenes.","authors":"Ida Moszczyńska, Marek Szafrański, Andrzej Katrusiak","doi":"10.1021/acs.jpclett.5c00686","DOIUrl":"10.1021/acs.jpclett.5c00686","url":null,"abstract":"Ruthenocene and osmocene, under normal conditions isostructural to low-temperature ferrocene phase III, have been regarded as prototypical metallocenes exclusively present in the energetically favored eclipsed conformation. This strong preference contrasts with ferrocene, which exhibits the staggered, rotated, eclipsed, disordered, and modulated conformations in its five polymorphic forms. Here we show that ruthenocene at 394.0 K and osmocene at 421.5 K transform to new higher-symmetry isostructural phases, where the cyclopentadienyl rings become disordered in two modes: seesaw tilts hinged on the metal cation and rotations about the molecular pseudo-C5 axis. The transitions entropy change and the Fourier transformations of the diffraction data indicate the hindered rotations, with molecules dynamically disordered between the staggered and eclipsed conformations, whereas in the final structural models the electron density distribution around the rings, calculated from the atomic displacement parameters of refined atomic sites, is continuous. For the prototypical metallocenes, a common pattern of transformations leading to disordered conformations has been connected with intramolecular anagostic bonds CH···M (M = Fe, Ni, Ru, Os). Their strength correlates with the critical temperatures of phase transitions when the anagostic bonds are broken.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":" ","pages":"5755-5762"},"PeriodicalIF":4.8,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12169653/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

The Q-AMOEBA (CF) Polarizable Potential. q -变形虫（CF）极化势。

IF 4.8 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2025-06-12 Epub Date: 2025-06-02 DOI: 10.1021/acs.jpclett.5c00797

Nastasia Mauger, Thomas Plé, Louis Lagardère, Simon Huppert, Jean-Philip Piquemal

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Interplay of Superconductivity, Ferromagnetism, and Half-Metallicity in Gated Single-Layer g-C₃N₄. 门控单层g-C3N4的超导性、铁磁性和半金属性的相互作用。

IF 4.8 2区化学

The Journal of Physical Chemistry Letters Pub Date : 2025-06-12 Epub Date: 2025-06-02 DOI: 10.1021/acs.jpclett.5c01013

Pietro Nicolò Brangi, Francesca Martini, Pierluigi Cudazzo, Matteo Calandra

引用次数: 0