Physical Chemistry Chemical Physics最新文献_第4页

Interaction of Solid Lipid Nanoparticles with Bovine Serum Albumin: Physicochemical Mechanistic Insights

IF 3.3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2025-02-18 DOI: 10.1039/d4cp04737k

Jyoti Rathee, Nand Kishore

{"title":"Interaction of Solid Lipid Nanoparticles with Bovine Serum Albumin: Physicochemical Mechanistic Insights","authors":"Jyoti Rathee, Nand Kishore","doi":"10.1039/d4cp04737k","DOIUrl":"https://doi.org/10.1039/d4cp04737k","url":null,"abstract":"The present study investigates the interaction of solid lipid nanoparticles (SLNs) with the transport protein bovine serum albumin (BSA) in terms of thermodynamic signatures, employing both spectroscopic and calorimetric techniques. When the nanoparticles are exposed to biological media, proteins are adsorbed on their surface, leading to protein corona formation. Therefore, controlling the formation of protein corona is essential for in vivo therapeutic efficacy. While SLNs have previously been explored solely as potential nano-carriers for drug delivery, no prior efforts have been made to study their interaction with biomolecules from a biophysical and mechanistic perspective. SLNs are colloidal dispersions of the solid lipid in an aqueous solution which is stabilized by surfactants. Herein, hot emulsification methodology has been employed to formulate SLNs, and their interactions with BSA were analyzed. The SLNs were characterized using transmission electron microscopy (TEM) and dynamic light scattering (DLS) techniques to obtain information on their size, zeta potential, and shape. The fluorescence data suggested the presence of weak interactions between the SLNs and BSA. Static quenching has been confirmed using the time-correlated single-photon counting (TCSPC) experiments. The differential scanning calorimetric (DSC) and fluorescence spectroscopic experiments suggest the thermal stabilization of BSA by SLNs. This stabilization resulted from enhancement in the secondary structure of the protein without altering the tertiary structure significantly. Isothermal calorimetry techniques (ITC) results suggest weak interactions between SLNs and BSA, though not in a site-specific manner. Overall, mechanistic insights into lipid nanoparticle-protein interactions, obtained from such studies efficiently fathom the hurdles associated with targeted drug delivery.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"51 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435131","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

N-doped graphdiyne derivative for highly selective and ultrasensitive NH3 sensing at room temperature

IF 3.3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2025-02-18 DOI: 10.1039/d4cp04718d

Dongfeng Ma, Hai-Qi Liu, Xi-Yu Zhang, Ya-Nan Jia, Xue Zhang, Fang Niu, Kaifeng Zhang, Yong-Qing Zhao

{"title":"N-doped graphdiyne derivative for highly selective and ultrasensitive NH3 sensing at room temperature","authors":"Dongfeng Ma, Hai-Qi Liu, Xi-Yu Zhang, Ya-Nan Jia, Xue Zhang, Fang Niu, Kaifeng Zhang, Yong-Qing Zhao","doi":"10.1039/d4cp04718d","DOIUrl":"https://doi.org/10.1039/d4cp04718d","url":null,"abstract":"The detection of ammonia (NH3) at room temperature is of paramount importance for human health, production safety, and environmental protection. However, the application of common NH3 sensitive materials is seriously limited by low sensitivity and poor selectivity. Herein, starting from molecular structure design, a N-doped graphdiyne derivative (N-GDYD) with definite N-doping site was synthesized by Glaser coupling of 2,4,6-tris ((trimethylsilyl) ethynyl)-1,3,5-triazine. Due to rich ethynyl groups and triazine N atoms, the N-GDYD gas sensor showed excellent NH3 sensing performance at room temperature (20 °C). For instance, it possessed a high response value of -67.7%, an extremely short response time of 92 s, and a short recovery time of 280 s for 100 ppm NH3. Even if the NH3 concentration decreased to 10 ppb, it still had a response of -12.4%. In particular, the N-GDYD gas sensor exhibited specific response to NH3, and showed negligible response to other 13 kinds of gases as well as organic reagent vapors. In-situ UV-Vis spectra and DFT calculation results confirmed that the alkyne bond and N atoms in the triazine ring were the adsorption sites for NH3. These active sites have strong interactions with NH3, and thus promoted electrons transportation from NH3 molecules to the N-GDYD. Evidently, this work provided a new strategy for designing high-performance NH3 sensing materials.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"23 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435132","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

Machine learning-assisted design and prediction of materials for batteries based on alkali metals 机器学习辅助设计和预测碱金属电池材料

IF 3.3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2025-02-17 DOI: 10.1039/d4cp04214j

Kexin Si, Zhipeng Sun, Huaxin Song, Xiangfen Jiang, Xue-Bin Wang

引用次数: 0

Physical Chemistry Chemical Physics profiles: contributors to the 2024 Emerging Investigators collection 物理化学化学物理学简介：2024 年新锐研究人员文集的撰稿人

IF 3.3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2025-02-17 DOI: 10.1039/d5cp90026c

引用次数: 0

Structural Characterisation and Dynamics of a Paramagnetic {Cr12Ni3} Seahorse in Non-Crystalline Phases

IF 3.3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2025-02-17 DOI: 10.1039/d4cp04498c

Niklas Geue, Emily Hicks, Selena Lockyer, Selina Nawaz, Olivia Churchill, George F. S. Whitehead, Grigore A. Timco, Neil A. Burton, Perdita Barran, Richard E. P. Winpenny

{"title":"Structural Characterisation and Dynamics of a Paramagnetic {Cr12Ni3} Seahorse in Non-Crystalline Phases","authors":"Niklas Geue, Emily Hicks, Selena Lockyer, Selina Nawaz, Olivia Churchill, George F. S. Whitehead, Grigore A. Timco, Neil A. Burton, Perdita Barran, Richard E. P. Winpenny","doi":"10.1039/d4cp04498c","DOIUrl":"https://doi.org/10.1039/d4cp04498c","url":null,"abstract":"The complex [{Ni(cyclen)}2Cr12NiF18(O2CtBu)24] (where cyclen = 1,4,7,10-tetrazacyclododecane) crystallises as a fifteen-metal chain that is shaped like a seahorse. Given this is one of the longest finite, paramagnetic chains found, we were intrigued whether this unusual structure is induced during crystal growth or also maintained in other phases. We report electron paramagnetic resonance spectroscopy, small angle X-ray scattering and atomistic molecular dynamics simulations, demonstrating that the S-structure from crystal is stable in powder and solution. Using ion mobility mass spectrometry (IM-MS), we revealed the coexistence of S-shaped structures and a closed isomeric assembly in the gas phase. Collision-induced dissociation mass spectrometry studies monitored by IM-MS show the rearrangement of the cyclic seahorse to the S-shaped conformation, as well as the dissociation to a cyclic, seven-metal complex.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"64 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427206","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

Carotenoid radical formation after multi-photon excitation of 8’-apo-β-carotenal

IF 3.3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2025-02-17 DOI: 10.1039/d4cp04373a

Tomas Polivka, Vaclav Sebelik, Valentyna Kuznetsova, Ivana Simova

引用次数: 0

Functionalized Sc2N as Ohmic-contact electrodes for monolayer PtSe2: an ab initio study

IF 3.3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2025-02-17 DOI: 10.1039/d4cp04328f

Hong Li, Jiahui Li, Chaoyang Fan, Fengbin Liu, Shuai Sun, Jing Lu

{"title":"Functionalized Sc2N as Ohmic-contact electrodes for monolayer PtSe2: an ab initio study","authors":"Hong Li, Jiahui Li, Chaoyang Fan, Fengbin Liu, Shuai Sun, Jing Lu","doi":"10.1039/d4cp04328f","DOIUrl":"https://doi.org/10.1039/d4cp04328f","url":null,"abstract":"Functionalized Sc2N monolayers are potential ideal electrodes for two-dimensional semiconductors owing to their broad scope of work functions and smooth surfaces. We studied the possibility of functionalized Sc2N as Ohmic-contact electrodes for monolayer (ML) PtSe2 Schottky barrier field-effect transistors (SBFETs) and simulated the device performances from an ab initio study. The surface functionalization of Sc2N weakened the interface coupling with ML PtSe2. The bands from each component of the PtSe2/Sc2NF2 and PtSe2/Sc2N(OH)2 vertical heterostructures were almost maintained, and n-type Ohmic contacts were found in both the vertical and lateral interfaces. The valence bands of the PtSe2/Sc2NO2 vertical heterostructure showed apparent hybridization, and a p-type Ohmic contact was found in the lateral interface. Particularly, the n-type ML PtSe2 SBFET with Sc2N(OH)2 electrodes possessed a near-ideal subthreshold swing (62 mV dec−1) and surpassed the high-performance target of the International Roadmap for devices and systems for the year 2037 in terms of on-state current (1166 vs. 790 μA μm−1), delay time (0.41 vs. 0.84 ps), and power dissipation (0.24 vs. 0.40 fJ μm−1).","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"51 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427202","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

Correction: Designing potentially singlet fission materials with an anti-Kasha behaviour

IF 3.3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2025-02-17 DOI: 10.1039/d5cp90023a

Ricardo Pino-Rios, Rodrigo Báez-Grez, Dariusz W. Szczepanik, Miquel Solà

引用次数: 0

Anisotropic Initial reaction Mechanism and Sensitivity Characterization of the Host-Guest Structure CL-20/H2O2 under Shock Loading

IF 3.3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2025-02-17 DOI: 10.1039/d4cp04681a

Yu Sha, Xiaobing Zhang

{"title":"Anisotropic Initial reaction Mechanism and Sensitivity Characterization of the Host-Guest Structure CL-20/H2O2 under Shock Loading","authors":"Yu Sha, Xiaobing Zhang","doi":"10.1039/d4cp04681a","DOIUrl":"https://doi.org/10.1039/d4cp04681a","url":null,"abstract":"Molecular-level interaction control and host-guest strategies are widely employed to design safer, high-performance energetic materials. This paper explores the anisotropic physicochemical response of the CL-20/H₂O₂ host-guest structure under impact along the (1 0 0), (0 1 0), and (0 0 1) crystallographic directions using reactive molecular dynamics simulations combined with the multiscale shock technique. The embedding of H₂O₂ in the CL-20 crystal cavity introduces pronounced anisotropy, driven by molecular packing differences across orientations. Elastic property analysis indicates that CL-20/H₂O₂ is more deformable, with a higher Poisson’s ratio compared to anhydrous α-CL-20, but retains a brittle nature. This brittleness, combined with localized strain under shock, contributes to shear band formation, energy concentration, and hotspot generation, increasing sensitivity risks. Mechanochemically, initial decomposition is driven by N-NO2 bond homolysis and C-N bond breakage, leading to cage structure collapse. The inclusion of H₂O₂ strengthens molecular interactions and enhances energy localization, amplifying anisotropic decomposition pathways. This study highlights the critical role of host-guest interactions in governing anisotropic decomposition and sensitivity in energetic materials, offering valuable insights for designing safer and more stable energetic materials with optimized performance.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"88 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143427208","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

Mixing of real and quantum gases

IF 3.3 3区化学

Physical Chemistry Chemical Physics Pub Date : 2025-02-17 DOI: 10.1039/d4cp04149f

Andrey Ya. Borshchevskii

引用次数: 0