Article
Chemistry, Physical
D. K. George, J. Y. Chen, Yunfen He, J. R. Knab, A. G. Markelz
Summary: The study found that temperature affects the dynamics of proteins differently, with higher activation energy associated with protein dynamical transition and lower activation energy associated with correlated structural motions. Ligand binding weakens the lower-energy activation process.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Biochemistry & Molecular Biology
Guoling Zhang, Guogang Yang, Shian Li, Qiuwan Shen, Hao Wang, Zheng Li, Yang Zhou, Weiqiang Ye
Summary: The study found that as the water content increases in Nafion 117, the size of water clusters increases, connecting to form continuous channels for diffusion of water molecules and hydronium ions. Additionally, the diffusion of water molecules and hydronium ions is enhanced by the increase in temperature and hydration level. The diffusion coefficient of water molecules is always larger than that of hydronium ions, but the ratio decreases with increasing water content.
Article
Chemistry, Physical
Nicolas Macro, Long Chen, Yushan Yang, Tridib Mondal, Lijuan Wang, Amnon Horovitz, Dongping Zhong
Summary: The research findings suggest that the GroEL cavity provides a unique water environment that may facilitate the folding of substrate proteins.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Biochemistry & Molecular Biology
Brataraj Ghosh, Neelanjana Sengupta
Summary: This study reveals the impact of glucose as a molecular crowder on the solvent environment around protein surfaces in folded and intrinsically disordered states, showing differences in structural responses between the two states and the influence of glucose-induced crowding on hydration layers.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
(2021)
Review
Biochemistry & Molecular Biology
Gurumayum Suraj Sharma, Snigdha Krishna, Sheeza Khan, Tanveer A. Dar, Khurshid A. Khan, Laishram Rajendrakumar Singh
Summary: Organic osmolytes are crucial for stress protection by stabilizing macromolecules and suppressing harmful effects on functional activity. They are compatible with enzyme function and can impact the thermodynamic stability of proteins, potentially being involved in unfolded protein response and overall stress biology.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Construction & Building Technology
Arun C. Emmanuel, Sreejith Krishnan, Shashank Bishnoi
Summary: The influence of curing temperature on hydration kinetics, phase assemblage, and strength development on ordinary Portland cement is investigated. Different temperatures and curing conditions were tested, and the effects on belite, alite, and ferrite hydration were observed. It was found that high-temperature exposure can significantly affect belite hydration and lead to a reduction in compressive strength. Additional gypsum can mitigate this effect by promoting the formation of ettringite.
CONSTRUCTION AND BUILDING MATERIALS
(2022)
Article
Oncology
Muhammad Redza Fahmi Mod Razif, Siok Yee Chan, Riyanto Teguh Widodo, Yik-Ling Chew, Masriana Hassan, Shairyzah Ahmad Hisham, Shamima Abdul Rahman, Long Chiau Ming, Ching Siang Tan, Siew-Keah Lee, Kai Bin Liew
Summary: This study aimed to develop and optimize a luteolin nanomicelle formulation with improved solubility. The nanomicelle was prepared using TPGS and Pol and showed a 459-fold increase in solubility compared to pure luteolin. Factors such as copolymers, hydration temperature and duration, and freezing temperature were studied to find the optimum formulation of the luteolin-micelle complex. This study demonstrated the importance of considering multiple factors in the development of well-optimized nanoparticles.
Article
Multidisciplinary Sciences
Debanjan Polley, Akshay Pattabi, Ashwin Rastogi, Kaushalya Jhuria, Eva Diaz, Hanuman Singh, Aristide Lemaitre, Michel Hehn, Jon Gorchon, Jeffrey Bokor
Summary: In this study, we experimentally demonstrate ultrafast spin-orbit torque-induced coherent magnetization switching dynamics in a ferromagnet and propose a unique magnetization switching mechanism that can significantly increase the writing speed of magnetic random-access memory devices.
Article
Chemistry, Physical
Felix Buettner, Bastian Pfau, Marie Boettcher, Michael Schneider, Giuseppe Mercurio, Christian M. Guenther, Piet Hessing, Christopher Klose, Angela Wittmann, Kathinka Gerlinger, Lisa-Marie Kern, Christian Strueber, Clemens von Korff Schmising, Josefin Fuchs, Dieter Engel, Alexandra Churikova, Siying Huang, Daniel Suzuki, Ivan Lemesh, Mantao Huang, Lucas Caretta, David Weder, John H. Gaida, Marcel Moeller, Tyler R. Harvey, Sergey Zayko, Kai Bagschik, Robert Carley, Laurent Mercadier, Justine Schlappa, Alexander Yaroslavtsev, Loic Le Guyarder, Natalia Gerasimova, Andreas Scherz, Carsten Deiter, Rafael Gort, David Hickin, Jun Zhu, Monica Turcato, David Lomidze, Florian Erdinger, Andrea Castoldi, Stefano Maffessanti, Matteo Porro, Andrey Samartsev, Jairo Sinova, Claus Ropers, Johan H. Mentink, Bertrand Dupe, Geoffrey S. D. Beach, Stefan Eisebitt
Summary: Time-resolved X-ray scattering was used to demonstrate the ultrafast 300 ps topological phase transition to a skyrmionic phase, mediated by the formation of a transient topological fluctuation state. The emergence of an extended topological phase containing many magnetic skyrmions was observed within picoseconds, with the nucleation process mediated by the transient topological fluctuation state induced by a time-reversal symmetry-breaking perpendicular magnetic field.
Article
Chemistry, Multidisciplinary
Lirong Zheng, Zhuo Liu, Qiang Zhang, Song Li, Juan Huang, Lei Zhang, Bing Zan, Madhusudan Tyagi, He Cheng, Taisen Zuo, Victoria Garcia Sakai, Takeshi Yamada, Chenxing Yang, Pan Tan, Fan Jiang, Hao Chen, Wei Zhuang, Liang Hong
Summary: This study reveals that the onset temperature of surface water is universal, despite the diverse activation temperatures of function-related anharmonic dynamics in different materials. This universal onset results from the switching of hydrogen bonds between neighboring water molecules with a common energy barrier of approximately 35 kJ mol(-1).
Article
Chemistry, Physical
Tetyana Kyrey, Judith Witte, Jana Lutzki, Michaela Zamponi, Stefan Wellert, Olaf Holderer
Summary: Polymer-solvent interactions play a crucial role in the stimuli-responsive behavior of polymer networks, affecting the swelling/deswelling behavior and dynamics of the polymer chains. Scattering experiments provide insight into the polymer-water interaction, with residual water amount determined by Karl Fischer titration. The relaxation time of water molecules is significantly longer than that of free water, due to strong interactions with the polymer network.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Biology
Laura Lupi, Brenda Bracco, Paola Sassi, Silvia Corezzi, Assunta Morresi, Daniele Fioretto, Lucia Comez, Marco Paolantoni
Summary: The dynamics of aqueous solutions of hydrophilic peptide NAGMA and amphiphilic peptide NALMA have been investigated, revealing that both peptides slow down the mobility of water molecules and cause far-reaching spatial perturbations. The concentration dependence of hydration number is explained by the random superposition of different hydration shells. Additionally, rotational dynamics play a key role in influencing solute and solvent motions.
Article
Electrochemistry
Alexander Zhbanov, Ye Sung Lee, Minkook Son, Myoung Hoon Jung, Kunsun Eom, Sung Yang
Summary: Electrochemical impedance spectroscopy of whole blood and blood cells shows great potential for evaluating patient health. This study focuses on the impact of hemoglobin hydration on the dielectric properties of erythrocyte cytoplasm and whole blood. Experimental impedance spectra were measured for separated cytoplasm and whole blood, and the effective medium theory was used for analysis. The cytoplasm was described as a colloid of hemoglobin cores surrounded by double hydration shells. The study provides a method to determine the viscosity of intracellular fluid and the density of bound water in the hydration shells, showing that hemoglobin hydration significantly affects the physical properties of blood.
ELECTROCHIMICA ACTA
(2023)
Article
Chemistry, Multidisciplinary
Qi Li, Johanna Kolbel, Margaret P. Davis, Timothy M. Korter, Andrew D. Bond, Terrence Threlfall, J. Axel Zeitler
Summary: Terahertz time-domain spectroscopy in a transmission geometry combined with visual analysis was used to investigate the crystallization process of MgSO4 solution. The method allowed the extraction of information about the liquid phase before and during crystallization, aiding the investigation of solvation dynamics and the behavior of molecular species at phase boundaries.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Rongfu Zhang, Timothy A. Cross, Xinhua Peng, Riqiang Fu
Summary: Understanding the dynamics and structure of water is crucial in biological systems. Directly probing the interfacial water in hydrated phospholipids is challenging, but a novel solid-state NMR technique was developed to successfully observe two distinct water species in the headgroup region of hydrated lipid bilayers. These findings provide an opportunity to study water dynamics on a millisecond or slower timescale in biomacromolecules.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Review
Engineering, Electrical & Electronic
Robert J. Falconer, Andrea G. Markelz
JOURNAL OF INFRARED MILLIMETER AND TERAHERTZ WAVES
(2012)
Article
Chemistry, Physical
Rohit Singh, Deepu Koshy George, Jason B. Benedict, Timothy M. Korter, Andrea G. Markelz
JOURNAL OF PHYSICAL CHEMISTRY A
(2012)
Article
Optics
Deepu K. George, Andreas V. Stier, Chase T. Ellis, Bruce D. McCombe, John Cerne, Andrea G. Markelz
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS
(2012)
Article
Physics, Multidisciplinary
R. Valdes Aguilar, A. V. Stier, W. Liu, L. S. Bilbro, D. K. George, N. Bansal, L. Wu, J. Cerne, A. G. Markelz, S. Oh, N. P. Armitage
PHYSICAL REVIEW LETTERS
(2012)
Article
Multidisciplinary Sciences
Gheorghe Acbas, Katherine A. Niessen, Edward H. Snell, A. G. Markelz
NATURE COMMUNICATIONS
(2014)
Article
Engineering, Electrical & Electronic
Deepu K. George, Joseph R. Knab, Yunfen He, Masato Kumauchi, Robert R. Birge, Wouter D. Hoff, Andrea G. Markelz
IEEE TRANSACTIONS ON TERAHERTZ SCIENCE AND TECHNOLOGY
(2013)
Article
Optics
Katherine Niessen, Yanting Deng, A. G. Markelz
Article
Nanoscience & Nanotechnology
Yanting Deng, Jeffrey A. McKinney, Deepu K. George, Katherine A. Niessen, Akansha Sharma, Andrea G. Markelz
Summary: THz polarimetry offers unique insight into complex phenomena by isolating structural vibrations of proteins related to biological function. Two proposed methods, SSATS and SSATM, provide rapid measurement of linear dichroism and spectral reproducibility, showing the impact of protein intramolecular vibrations on biological function.
Article
Chemistry, Physical
Alex Davie, Farah Vandrevala, Sara Dampf, Yanting Deng, Deepu K. George, Eric D. Sylvester, Timothy Korter, Erik Einarsson, Jason B. Benedict, Andrea G. Markelz
Summary: THz TDS is used to measure the melting kinetics of fructose molecular crystals, indicating phonon frequency changes and melting behavior. The kinetics follow a 3D growth model, with multiple H-bonds needing to break collectively for the transition.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Optics
Mengyang Xu, Deepu George, Ralph Jimenez, Andrea Markelz
Summary: The study demonstrated an increase in the turn-on temperature of protein structural dynamics after irreversible photobleaching of red fluorescent proteins, suggesting a more collective motion due to an increase in internal water channels.
Article
Chemistry, Physical
D. K. George, J. Y. Chen, Yunfen He, J. R. Knab, A. G. Markelz
Summary: The study found that temperature affects the dynamics of proteins differently, with higher activation energy associated with protein dynamical transition and lower activation energy associated with correlated structural motions. Ligand binding weakens the lower-energy activation process.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Nanoscience & Nanotechnology
Andrea G. Markelz, Daniel M. Mittleman
Summary: Within the field of terahertz science and technology, the intersection of terahertz measurements and methods with biology and medicine is an active area of research. However, this field has been plagued with misleading ideas that need to be clarified. The purpose of this Perspective is to highlight and distinguish these mistaken concepts from interesting works in the marriage of terahertz with biology and medicine.
Article
Chemistry, Medicinal
Tod D. Romo, Alan Grossfield, Andrea G. Markelz
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2020)
Proceedings Paper
Nanoscience & Nanotechnology
Gheorghe Acbas, Katherine A. Niessen, Deepu K. George, Edward Snell, A. G. Markelz
ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII
(2013)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)