Article
Biochemistry & Molecular Biology
Puspita Halder, Pralay Mitra
Summary: Human familial prion diseases are associated with different single-point mutants of the gene coding for prion protein, with 12 identified pathogenic mutants of human prion protein. These mutants exhibit unfolding of the helical structures, extension and generation of the b-sheet structures, and highly exposed hydrophobic surfaces, possibly leading to the production of aggregate/fibril structures of the prion protein.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Physics, Multidisciplinary
Rafael Tapia-Rojo, Marc Mora, Stephanie Board, Jane Walker, Rajaa Boujemaa-Paterski, Ohad Medalia, Sergi Garcia-Manyes
Summary: By using single-molecule magnetic tweezers, researchers have observed previously inaccessible rare conformations of the talin protein and investigated its folding dynamics over extended periods of time. This study sheds light on the complex landscapes of protein folding and highlights the importance of observation timescale in understanding equilibrium dynamics.
Article
Chemistry, Multidisciplinary
Yingpeng Qi, Mengxue Guan, Daniela Zahn, Thomas Vasileiadis, Helene Seiler, Yoav William Windsor, Hui Zhao, Sheng Meng, Ralph Ernstorfer
Summary: The microscopic arrangement of atoms and molecules determines the behavior and performance of materials. Photoexcitation-driven manipulation of crystal structure and electronic properties in quantum materials provides opportunities for exploring exotic physics and practical applications. This study reports the photoinduced concurrent intralayer and interlayer structural transitions in XTe2 and discusses the modification of multiple quantum electronic states associated with these transitions.
Article
Multidisciplinary Sciences
Nengneng Luo, Li Ma, Gengguang Luo, Chao Xu, Lixiang Rao, Zhengu Chen, Zhenyong Cen, Qin Feng, Xiyong Chen, Fujita Toyohisa, Ye Zhu, Jiawang Hong, Jing-Feng Li, Shujun Zhang
Summary: The authors designed NaNbO3 based ceramics to achieve a reversible phase transformation between antiferroelectric and ferroelectric phases, resulting in a well-defined double hysteresis loop in the P-E hysteresis curve. NaNbO3 is a lead-free antiferroelectric material with potential applications in energy storage capacitors, solid-state cooling, and displacement transducers. A new strategy of reducing the oxygen octahedral tilting angle is proposed to stabilize the antiferroelectric phase of NaNbO3, and its effectiveness is confirmed through experimental characterization. The resulting ceramic exhibits highly reversible phase transitions and improved properties compared to pure NaNbO3.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Jianxiang Shen, Xue Li, Ping Li, Baoqing Shentu
Summary: This study investigated the thermal properties and interfacial characteristics of thermoplastic polyurethane (TPU) nanocomposites filled with single-walled carbon nanotubes (SWNTs) using molecular dynamics simulations. The introduction of SWNTs was found to suppress TPU chain dynamics and enhance the hydrogen bond formation between TPU chains and SWNTs. Functionalized SWNTs with polar groups showed improved affinity for TPU molecules, leading to reduced polymer mobility and increased glass transition temperature (T-g). The presence of amine groups had the highest potential for hydrogen bonding with TPU chains, resulting in the lowest polymer mobility and the highest T-g. This research provides insights and guidance for the design of polymer nanocomposites and future simulations involving TPUs.
Article
Chemistry, Physical
Simone Manti, Mark Kamper Svendsen, Nikolaj R. R. Knosgaard, Peder M. M. Lyngby, Kristian S. S. Thygesen
Summary: We demonstrate that the zero-temperature dynamical stability (DS) of a periodic crystal can be accurately predicted by analyzing the phonon frequencies at the Brillouin zone center and boundary. This validation of the DS test used by the Computational 2D Materials Database (C2DB) provides evidence for its reliability.
NPJ COMPUTATIONAL MATERIALS
(2023)
Article
Biochemistry & Molecular Biology
Bjarte Aarmo Lund, Bjorn Olav Brandsdal
Summary: A new method was developed to efficiently determine the temperature dependence of enzyme catalysis, requiring less sample, labor, and time. The method was validated with Bacillus pumilus LipA enzyme and three different enzymes, effectively differentiating between enzyme types at various temperatures.
Review
Environmental Studies
Huixin Wang, Jing Xie, Shixian Luo, Duy Thong Ta, Qian Wang, Jiao Zhang, Daer Su, Katsunori Furuya
Summary: Numerous studies have shown that being close to nature has a positive impact on human well-being. Landscape planning and related techniques have been widely used to achieve a balance between natural environments and human society, thereby enhancing human well-being. This study uses scientometric analysis and systematic review to examine how landscape planning improves human well-being. The findings suggest the potential for greater international collaboration in this field and highlight the conceptual pathways between landscape planning and human well-being.
Article
Chemistry, Physical
Guoshuai Du, Feng Ke, Wuxiao Han, Bin Chen, Qinglin Xia, Jun Kang, Yabin Chen
Summary: This study provides a detailed analysis on the structural metastability of black arsenic and identifies its existence conditions based on thermodynamic variables. The researchers also developed a thermal annealing strategy to control the thickness of black arsenic flakes.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Michio Tateno, Taiki Yanagishima, Hajime Tanaka
Summary: The study on colloidal gelation using core-shell fluorescent colloidal particles reveals that the enhancement of local packing and the formation of locally stable rigid structures are the key factors leading to gel formation during phase separation. These findings support a mechanical perspective on dynamic arrest of sticky-sphere systems based on microstructure, replacing conventional explanations based on macroscopic vitrification of colloidal-rich phase.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Energy & Fuels
Ahmad Ayyaz, G. Murtaza, Maleeha Shafiq, M. Qasim Shah, N. Sfina, Sarfraz Ali
Summary: The structural, thermodynamic, elastic, electro-optic, and thermoelectric properties of the emerging double perovskites Rb2XInBr6 (X = Na, K) were investigated. The research revealed the stability and potential application of these materials in photovoltaic systems. However, further investigation is needed to enhance their optical and thermoelectric response through efficient techniques for adjusting the electronic band gap.
Article
Chemistry, Physical
Yara Luiza Coelho, Cinthia das Dores Aguiar, Hauster Maximiler Campos de Paula, Isabela Araujo Marques, Livia Neves Santa Rosa, Luciano Sindra Virtuoso, Alfredo Duarte, Ana Clarissa dos Santos Pires, Luis Henrique Mendes da Silva
Summary: The kinetic and energetic characterization of interactions between quantum dots and proteins was investigated using surface plasmon resonance and isothermal titration microcalorimetry. The results showed the formation of a thermodynamically stable 1:1 complex between the quantum dots and the protein, with the complex formation affected by temperature.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Polymer Science
Matthew J. Williams
Summary: This study investigates the density of states and structural characteristics of helical homopolymers. Through systematic comparisons of results under varying conditions, the study provides valuable insights into the general behavior and structural transformations of helical homopolymers. The findings are effectively showcased through a two-dimensional plot illustrating the relative distribution of different structural types.
Review
Biochemistry & Molecular Biology
Reinhard Schweitzer-Stenner
Summary: The Flory isolated pair hypothesis is a key concept in the random coil model, used to describe the conformational dynamics of unfolded and intrinsically disordered proteins. However, evidence suggests that nearest neighbors play a significant role in the conformational sampling of amino acid residues, leading to a lower conformational entropy than expected.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Multidisciplinary Sciences
Valentyn Petrychenko, Bee-Zen Peng, Ana C. de A. P. Schwarzer, Frank Peske, Marina V. Rodnina, Niels Fischer
Summary: In this study, the researchers visualized the mechanism of EF-G in the ribosome translocation process using time-resolved cryo-EM, revealing the crucial role of GTP hydrolysis in promoting the movement of the ribosome along mRNA.
NATURE COMMUNICATIONS
(2021)