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Organic-Inorganic PTB7-Th:ITIC/ZnO Heterojunction Based Self-Powered Photodetectors with Tunable Dual Detection Windows. 基于可调谐双探测窗口的有机-无机PTB7-Th:ITIC/ZnO异质结自供电光电探测器。
IF 6.475 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-05-23 DOI: 10.1021/acs.jpclett.5c01156
Shuangyu Wang,Man Zhao,Dayong Jiang,Qingcheng Liang
{"title":"Organic-Inorganic PTB7-Th:ITIC/ZnO Heterojunction Based Self-Powered Photodetectors with Tunable Dual Detection Windows.","authors":"Shuangyu Wang,Man Zhao,Dayong Jiang,Qingcheng Liang","doi":"10.1021/acs.jpclett.5c01156","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c01156","url":null,"abstract":"In this work, we demonstrate a filter-free self-powered photodetector based on PTB7-Th:ITIC/ZnO heterojunction that exhibits remarkable selective spectral response characteristics. The device achieves band-selective detection through innovative manipulation of incident light direction, enabling multiple spectral detection capabilities within a single architecture. Under 0 V bias voltage operation, the device exhibits dual-mode detection capability depending on the illumination direction. When illuminated through the ZnO film side, the photodetector demonstrates visible light detection with a peak responsivity of 350 mA W-1 across the 400-800 nm spectral range. Conversely, illumination through the bulk heterojunction film side enables broadband detection from ultraviolet to visible spectrum (300-800 nm), showing distinct responsivity peaks at 2 mA W-1 and 29 mA W-1 for ultraviolet and visible regions, respectively. The selective spectral response characteristics of the PTB7-Th:ITIC/ZnO photodetector are primarily governed by two key factors: the optimized width of the depletion layer region and the distinctive distribution profile of the internal electric field. This work establishes a paradigm for developing autonomous photodetection systems capable of adaptive spectral discrimination, paving the way for advanced optoelectronic applications in complex environmental conditions.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"76 1","pages":"5449-5457"},"PeriodicalIF":6.475,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144122344","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
Boosting Excitonic Emission in 2D Multiple Quantum Well Superlattices by Plasma-Assisted Electrochemical Intercalation. 等离子体辅助电化学插层增强二维多量子阱超晶格中的激子发射。
IF 6.475 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-05-22 DOI: 10.1021/acs.jpclett.5c00826
Shixuan Wang,Jian Li,Peiyu Zeng,Xu Han,Jinshu Zhang,Xiaoya Liu,Weiqiao Xia,Zhexing Duan,Wei Liu,Shaoqing Xiao,Qiang Fu,Qi Zhang,Junpeng Lu,Zhenhua Ni
{"title":"Boosting Excitonic Emission in 2D Multiple Quantum Well Superlattices by Plasma-Assisted Electrochemical Intercalation.","authors":"Shixuan Wang,Jian Li,Peiyu Zeng,Xu Han,Jinshu Zhang,Xiaoya Liu,Weiqiao Xia,Zhexing Duan,Wei Liu,Shaoqing Xiao,Qiang Fu,Qi Zhang,Junpeng Lu,Zhenhua Ni","doi":"10.1021/acs.jpclett.5c00826","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c00826","url":null,"abstract":"Scalable fabrication of multiple quantum-well (MQW) superlattices via layer-by-layer stacking of two-dimensional (2D) materials remains challenging. Here, we propose a plasma-assisted electrochemical intercalation strategy to overcome this limitation. By intercalating 1-ethyl-3-methylimidazolium (EMIM+) cations into multilayer molybdenum disulfide (MoS2), followed by oxygen plasma intercalation, we achieve large-area (∼100 μm) MQW superlattices with hundreds of active layers. This approach enhances MoS2 photoluminescence (PL) by 2 orders of magnitude, with the PL quantum yield (PLQY) increasing with both excitation power and thickness. The enhancement arises from interlayer-decoupling-induced bandgap directness and electron extraction induced by oxygen plasma, effectively suppressing charge transfer between heterointerfaces. Our findings provide a scalable route for fabricating quasi-MQW superlattices, opening new avenues for photophysics research and next-generation optoelectronics.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"42 1","pages":"5405-5411"},"PeriodicalIF":6.475,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144114174","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
Prenucleation Clusters Assisting Formation of CdS Quantum Dots in Aqueous Environments 水环境中辅助CdS量子点形成的预成核团簇
IF 6.475 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-05-22 DOI: 10.1021/acs.jpclett.5c01007
Yiao Huang, Zhe Wang, Xiaoqin Chen, Chaoran Luan, Kui Yu
{"title":"Prenucleation Clusters Assisting Formation of CdS Quantum Dots in Aqueous Environments","authors":"Yiao Huang, Zhe Wang, Xiaoqin Chen, Chaoran Luan, Kui Yu","doi":"10.1021/acs.jpclett.5c01007","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c01007","url":null,"abstract":"The nucleation mechanism of colloidal semiconductor quantum dots (QDs) in the aqueous phase remains unknown. Using CdS as a model system, we show that prenucleation clusters (PNCs) play a key role in the formation of QDs, which supports the multistep nonclassical nucleation model. For the reaction of CdCl<sub>2</sub>, thioacetamide, and 3-mercaptopropionic (MPA), a prenucleation cluster forms at room temperature via the chemical self-assembly of the precursors. PNCs transform to magic-size clusters (MSCs) in the dispersion with amine and thus are also defined as precursor compounds (PCs) of MSCs. PNCs fragment to monomers (Mos) at elevated temperature or at room temperature after dilution. The supersaturation of Mos leads to the nucleation and growth of QDs, which is influenced by the pH value. Our findings provide a new synthesis route to QDs in aqueous phase and brings an in-depth understanding of the nucleation mechanism.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"4 1","pages":"5398-5404"},"PeriodicalIF":6.475,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144114376","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
Infrared Spectroscopic Identification of Mass-Selected Benzonitrile Ions in Neon Matrices: Astrochemical Implications. 红外光谱识别氖基质中大量选择的苯腈离子：天体化学意义。
IF 6.475 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-05-22 DOI: 10.1021/acs.jpclett.5c00918
Wen-Jian Huang,Sheng-Lung Chou,Chih-Hao Chin,Shu-Yu Lin,Yu-Jong Wu
{"title":"Infrared Spectroscopic Identification of Mass-Selected Benzonitrile Ions in Neon Matrices: Astrochemical Implications.","authors":"Wen-Jian Huang,Sheng-Lung Chou,Chih-Hao Chin,Shu-Yu Lin,Yu-Jong Wu","doi":"10.1021/acs.jpclett.5c00918","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c00918","url":null,"abstract":"Benzonitrile (C6H5CN) has emerged as a key astrochemical molecule, yet the vibrational spectra of its ionic forms remain incomplete. In this work, we present the first IR absorption spectra of mass-selected C6H5CN+ and C6H5CN- isolated in solid neon at 3 K. Distinct vibrational features of both ions were identified through their differential response to IR and UV photolysis and comparison with theoretical predictions of vibrational frequencies and intensities. These results provide valuable spectroscopic benchmarks for the identification of benzonitrile ions in space and highlight the effectiveness of matrix-isolation techniques for resolving the vibrational structures of transient molecular ions relevant to astrochemistry.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"31 1","pages":"5412-5417"},"PeriodicalIF":6.475,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144114276","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
dTAT1: An Unnatural Nucleoside Exhibiting Low Photocytotoxicity for Genetic Code Expansion dTAT1：一种对遗传密码扩展具有低光细胞毒性的非天然核苷
IF 6.475 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-05-22 DOI: 10.1021/acs.jpclett.5c00763
Chris Acquah, Sourav Kanti Seth, Chuang Feng, Steffen Jockusch, Liraz Levi, Nitza V. Falcón-Cruz, Lingjun Li, Carlos E. Crespo-Hernández
{"title":"dTAT1: An Unnatural Nucleoside Exhibiting Low Photocytotoxicity for Genetic Code Expansion","authors":"Chris Acquah, Sourav Kanti Seth, Chuang Feng, Steffen Jockusch, Liraz Levi, Nitza V. Falcón-Cruz, Lingjun Li, Carlos E. Crespo-Hernández","doi":"10.1021/acs.jpclett.5c00763","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c00763","url":null,"abstract":"Synthetic biology aims to expand the genetic code by increasing cellular information storage and retrieval. A recent advance is the dTAT1-dNaM unnatural base pair, which is more photo- and thermostable than dTPT3-dNaM while maintaining high efficiency and fidelity in vitro and in vivo. However, the photophysics and cytotoxicity behavior of dTAT1 under UV light have not been investigated. We demonstrate that dTAT1 populates the triplet state upon 390 nm excitation but exhibits minimal cytotoxicity in cells. Analysis of reactive oxygen species indicates that dTAT1 produces a low singlet oxygen quantum yield of 17% while it generates superoxide, a less harmful reactive oxygen species. Its triplet lifetime is 2.7 times shorter than that of dTPT3, contributing to its lower photocytotoxicity. These findings highlight the potential of dTAT1 for safe genetic code expansion and therapeutic applications, providing valuable insights for designing next-generation unnatural nucleosides with minimal impact on cellular health.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"18 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144114375","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
Phonon Scattering and Thermal Transport in PbSe and Medium Entropy Thermoelectric PbSe0.5Te0.25S0.25 with Defects of Different Dimensions 含不同尺寸缺陷的PbSe和介质熵热电PbSe0.5Te0.25S0.25中的声子散射和热输运
IF 6.475 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-05-22 DOI: 10.1021/acs.jpclett.5c00740
Shuang Lyu, Xingzhong Cao, Yanguang Zhou, Yue Chen
{"title":"Phonon Scattering and Thermal Transport in PbSe and Medium Entropy Thermoelectric PbSe0.5Te0.25S0.25 with Defects of Different Dimensions","authors":"Shuang Lyu, Xingzhong Cao, Yanguang Zhou, Yue Chen","doi":"10.1021/acs.jpclett.5c00740","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c00740","url":null,"abstract":"Defect engineering has been proven to be effective in optimizing the thermoelectric performance by tailoring the lattice thermal conductivity. Understanding the roles of defects with different dimensions on heat-carrying phonons is crucial. In this study, we investigated the lattice dynamics and thermal transport properties of PbSe and medium entropy PbSe<sub>0.5</sub>Te<sub>0.25</sub>S<sub>0.25</sub> with different defects, using a machine learning interatomic potential. We find that the introduction of 3% Pb vacancies reduces lattice thermal conductivity (<i>k</i><sub><i>L</i></sub>) of PbSe by approximately 40%, similar to dislocations (with a density of 2 × 10<sup>16</sup> m<sup>–2</sup>) and nanograins (grain size of 4000 nm<sup>3</sup>). Vacancies enhance phonon scattering at frequencies above 0.5 THz, whereas dislocations, stacking faults, and grain boundaries primarily hinder phonon propagation below 1.5 THz. In contrast, in PbSe<sub>0.5</sub>Te<sub>0.25</sub>S<sub>0.25</sub>, vacancies have weaker effects on thermal transport suppression due to the intrinsic entropy-induced high-frequency phonon scattering; higher-dimensional defects, such as grain boundaries, stacking faults, and dislocations, are more effective for reducing <i>k</i><sub><i>L</i></sub> by enhancing phonon scattering at frequencies lower than 1 THz. This study reveals the mechanisms by which defects influence lattice thermal conductivity and provides valuable guidance for optimizing the thermal transport in entropy engineered systems.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"15 1","pages":"5429-5434"},"PeriodicalIF":6.475,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144122514","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
Prenucleation Clusters Assisting Formation of CdS Quantum Dots in Aqueous Environments 水环境中辅助CdS量子点形成的预成核团簇
IF 4.8 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-05-22 DOI: 10.1021/acs.jpclett.5c0100710.1021/acs.jpclett.5c01007
Yiao Huang, Zhe Wang, Xiaoqin Chen, Chaoran Luan* and Kui Yu*, 
{"title":"Prenucleation Clusters Assisting Formation of CdS Quantum Dots in Aqueous Environments","authors":"Yiao Huang,&nbsp;Zhe Wang,&nbsp;Xiaoqin Chen,&nbsp;Chaoran Luan* and Kui Yu*,&nbsp;","doi":"10.1021/acs.jpclett.5c0100710.1021/acs.jpclett.5c01007","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c01007https://doi.org/10.1021/acs.jpclett.5c01007","url":null,"abstract":"<p >The nucleation mechanism of colloidal semiconductor quantum dots (QDs) in the aqueous phase remains unknown. Using CdS as a model system, we show that prenucleation clusters (PNCs) play a key role in the formation of QDs, which supports the multistep nonclassical nucleation model. For the reaction of CdCl<sub>2</sub>, thioacetamide, and 3-mercaptopropionic (MPA), a prenucleation cluster forms at room temperature via the chemical self-assembly of the precursors. PNCs transform to magic-size clusters (MSCs) in the dispersion with amine and thus are also defined as precursor compounds (PCs) of MSCs. PNCs fragment to monomers (Mos) at elevated temperature or at room temperature after dilution. The supersaturation of Mos leads to the nucleation and growth of QDs, which is influenced by the pH value. Our findings provide a new synthesis route to QDs in aqueous phase and brings an in-depth understanding of the nucleation mechanism.</p>","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"16 21","pages":"5398–5404 5398–5404"},"PeriodicalIF":4.8,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165887","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
dTAT1: An Unnatural Nucleoside Exhibiting Low Photocytotoxicity for Genetic Code Expansion dTAT1：一种对遗传密码扩展具有低光细胞毒性的非天然核苷
IF 4.8 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-05-22 DOI: 10.1021/acs.jpclett.5c0076310.1021/acs.jpclett.5c00763
Chris Acquah, Sourav Kanti Seth, Chuang Feng, Steffen Jockusch, Liraz Levi, Nitza V. Falcón-Cruz, Lingjun Li and Carlos E. Crespo-Hernández*, 
{"title":"dTAT1: An Unnatural Nucleoside Exhibiting Low Photocytotoxicity for Genetic Code Expansion","authors":"Chris Acquah,&nbsp;Sourav Kanti Seth,&nbsp;Chuang Feng,&nbsp;Steffen Jockusch,&nbsp;Liraz Levi,&nbsp;Nitza V. Falcón-Cruz,&nbsp;Lingjun Li and Carlos E. Crespo-Hernández*,&nbsp;","doi":"10.1021/acs.jpclett.5c0076310.1021/acs.jpclett.5c00763","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c00763https://doi.org/10.1021/acs.jpclett.5c00763","url":null,"abstract":"<p >Synthetic biology aims to expand the genetic code by increasing cellular information storage and retrieval. A recent advance is the dTAT1-dNaM unnatural base pair, which is more photo- and thermostable than dTPT3-dNaM while maintaining high efficiency and fidelity in vitro and in vivo. However, the photophysics and cytotoxicity behavior of dTAT1 under UV light have not been investigated. We demonstrate that dTAT1 populates the triplet state upon 390 nm excitation but exhibits minimal cytotoxicity in cells. Analysis of reactive oxygen species indicates that dTAT1 produces a low singlet oxygen quantum yield of 17% while it generates superoxide, a less harmful reactive oxygen species. Its triplet lifetime is 2.7 times shorter than that of dTPT3, contributing to its lower photocytotoxicity. These findings highlight the potential of dTAT1 for safe genetic code expansion and therapeutic applications, providing valuable insights for designing next-generation unnatural nucleosides with minimal impact on cellular health.</p>","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"16 21","pages":"5390–5397 5390–5397"},"PeriodicalIF":4.8,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165888","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
Distribution of Oxygen Vacancies in RuO2 Catalysts and Their Roles in Activity and Stability in Acidic Oxygen Evolution Reaction RuO2催化剂中氧空位的分布及其对酸性析氧反应活性和稳定性的影响
IF 6.475 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-05-22 DOI: 10.1021/acs.jpclett.5c01258
Zhe Shang, Hui Li
{"title":"Distribution of Oxygen Vacancies in RuO2 Catalysts and Their Roles in Activity and Stability in Acidic Oxygen Evolution Reaction","authors":"Zhe Shang, Hui Li","doi":"10.1021/acs.jpclett.5c01258","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c01258","url":null,"abstract":"By combining density functional theory (DFT) calculations and the cluster expansion (CE) model in an active-learning framework, we comprehensively studied the distribution features of oxygen vacancies (O<sub>V</sub>’s) as well as their contributions to the stability and activity of the RuO<sub>2</sub> catalyst in acidic oxygen evolution reaction (OER). The results show that O<sub>V</sub>’s prefer to be located at bridge oxygen sites on the RuO<sub>2</sub>(110) surface and the next-nearest-neighbor trans positions of surface RuO<sub>6</sub> octahedra in pairs due to interactions between two O<sub>V</sub>’s, and high concentrations of O<sub>V</sub>’s exhibit a continuous zigzag distribution in the (1<span>1</span>0) plane of RuO<sub>2</sub>. The oxygen vacancy distribution can be explained by the charge repulsion between the low-valent Ru and O, which is referred to as the “heterovalent ion-oxygen exclusion principle”. In addition, the DFT results show that the presence of O<sub>V</sub>’s cannot improve the inherent OER activity of specific Ru sites since low-valent Ru sites hinder deprotonation of the second water molecule. Nevertheless, O<sub>V</sub>’s can improve the stability of RuO<sub>2</sub> by suppressing the lattice oxygen mechanism (LOM) path. In summary, this work provides deeper insights into the mechanism of the OER of RuO<sub>2</sub> with O<sub>V</sub>’s in acidic media and a possible way to improve catalyst performance by using oxygen vacancy engineering.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"78 1","pages":"5418-5428"},"PeriodicalIF":6.475,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144122427","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
Destabilizing Interactions in Human Telomeric G-Quadruplex Multimers 人类端粒g -四重体多聚体的不稳定相互作用
IF 6.475 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-05-22 DOI: 10.1021/acs.jpclett.5c01100
Luca Bertini, Mattia Trapella, Deniz Mostarac, Valeria Libera, Caterina Petrillo, Cristiano De Michele, Lucia Comez, Alessandro Paciaroni
{"title":"Destabilizing Interactions in Human Telomeric G-Quadruplex Multimers","authors":"Luca Bertini, Mattia Trapella, Deniz Mostarac, Valeria Libera, Caterina Petrillo, Cristiano De Michele, Lucia Comez, Alessandro Paciaroni","doi":"10.1021/acs.jpclett.5c01100","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c01100","url":null,"abstract":"G-Quadruplexes are secondary structures that may form in G-rich nucleic acid sequences. The extended overhang at the ends of human telomeres has the potential to form multiple G-Quadruplexes that are crucial in regulating key biological processes. Here, we employ small-angle X-ray scattering-guided extremely coarse-grained simulations to provide a picture of the arrangement of G-Quadruplexes in long telomeric sequences. We observe significant destabilizing interactions between G-Quadruplexes, thus making the stacked conformation less prevalent. A helix–coil model is proposed to analytically describe the stacking–unstacking equilibrium within G-Quadruplex multimers and predict the occurrence of stacked and unstacked G-Quadruplex multiplets in arbitrarily long sequences.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"2 1","pages":"5435-5440"},"PeriodicalIF":6.475,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144122767","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
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