Article
Physics, Fluids & Plasmas
Ivan Colorado-Cervantes, Valerio Varano, Luciano Teresi
Summary: This study investigates the morphing of three-dimensional objects using nonlinear elasticity with large distortions. The configuration that minimizes the distance between the target metric and the actual metric, measured through elastic energy, is effectively realized by a material body. Morphing through compatible distortions can result in stress-free configurations, which is a key strategy utilized by many soft biological materials to achieve large shape-change while maintaining a nearly stress-free state. Therefore, the study of compatible distortions and the related shape-changes is of great importance.
Article
Chemistry, Physical
Tokio Watanabe, Hirokazu Yagi, Saeko Yanaka, Takumi Yamaguchi, Koichi Kato
Summary: This research developed a non-linear multivariate analysis using a kernel method to classify the conformations of oligosaccharides, allowing for a systematic comparison and understanding of the contributions of intraresidue conformational factors to their global dynamics. It sheds light on exploring the conformational spaces of oligosaccharides and other molecules with high degrees of motional freedom.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Mateusz K. Bieniek, Agastya P. Bhati, Shunzhou Wan, Peter Coveney
Summary: The TIES protocol is an accurate alchemical approach for calculating relative binding free energies in computational chemistry. By matching atoms and implementing ring morphing, the prediction precision is improved. Ensemble simulation is important for the non-normal nature of the relative free energy distributions.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Engineering, Environmental
Hanyu Zhao, Wenjun Cao, Cen Liang, Changyuan Wang, Chunchang Wang
Summary: High-entropy engineering alone is insufficient for good energy storage performance in dielectric capacitors. A combined entropy engineering + poly-phase strategy is proposed, where medium-entropy materials with introduced polyphases show good energy storage performance. The introduction of multiphase effectively refines the grain and domain sizes, leading to high polarization intensity and excellent energy storage performance. This work demonstrates the effectiveness of the entropy engineering + polyphase strategy and provides a pathway for developing new energy storage materials.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Biochemistry & Molecular Biology
Esra Boz, Matthias Stein
Summary: The study utilized the CREST tool to calculate non-covalent ligand-receptor interactions and energy using the GFN2-xTB method, and blind predictions were made for the binding of 10 drug molecule ligands to the CB[8] receptor. The results demonstrate that the proposed method shows good agreement with experimental values for large molecules, showcasing the effectiveness of quantum chemistry in predicting molecular interactions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Engineering, Aerospace
Faisal Mahmood, Seyed M. Hashemi, Hekmat Alighanbari
Summary: This paper investigates the dynamic characteristics of a reconfigurable modular morphing wing and analyzes the free vibration of the unmorphed and morphed configurations under spanwise extensions. The study validates the results obtained from the analyses and examines the impact of various spanwise extensions and topology on the system's natural frequencies.
Article
Green & Sustainable Science & Technology
Woo Chul Kwak, Yeon Jung Oh, Su Kyung Kang, Ah Hyun Lee, Simon MoonGeun Jung, Pyung Soo Lee
Summary: This study investigated the thermal regeneration of deactivated zeolite membranes to achieve reusability without significant changes in separation performance. Different foulants required different optimal regeneration temperatures. The MFI membrane was found to be more sensitive to heat, leading to slight changes in membrane selectivity.
INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
(2022)
Article
Computer Science, Interdisciplinary Applications
Haris Moazam Sheikh, Sangjoon Lee, Jinge Wang, Philip S. Marcus
Summary: Design-by-Morphing (DbM) is a new design methodology that creates a search space for topology optimization. Unlike traditional techniques, DbM does not impose geometric constraints or designer biases on the design space, allowing for a radical and expansive search with minimal design parameters.
JOURNAL OF COMPUTATIONAL DESIGN AND ENGINEERING
(2023)
Review
Polymer Science
Ammar Elsheikh
Summary: This review article discusses the application of bistable morphing composites in energy harvesting. It covers the actuating techniques to change the shape of the composite structure, mathematical modeling of the dynamic behavior, and the use of artificial intelligence techniques for optimization and prediction.
Article
Chemistry, Multidisciplinary
Tao He, Hendrik F. T. Klare, Martin Oestreich
Summary: Superelectrophilic silylium/arenium ions are effective in exhaustivedeuteration of electron-deficient aryl halides. Using inexpensive C6D6as the deuterium source, excellent degrees of deuteriumincorporation were achieved under ambient conditions. This method allows the preparation of expensive or noncommercially available NMR solvents.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Physics, Applied
Ajin Joy, Sreyas Satheesh, P. S. Anil Kumar
Summary: This article proposes a ferromagnetic device based on skyrmions that is capable of ultrafast simulation of artificial neurons and synapses. The device exhibits low energy consumption and high efficiency, making it a viable candidate for ultrafast neuromorphic spintronics.
APPLIED PHYSICS LETTERS
(2023)
Article
Biochemistry & Molecular Biology
Yu-Cheng Liu, Dah-Yen Yang, Sheh-Yi Sheu
Summary: G-quadruplexes have become attractive drug targets in cancer therapy, but the polymorphic nature of their structures makes understanding their conformational conversion mechanisms challenging. This study used molecular dynamics simulation to show that as salt concentration increases, the mechanism of conformational conversion shifts from multi-pathway to sequential pathways, with conformational conversion being more feasible upon K+ binding compared to Na+ binding in high-salt solutions.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Endocrinology & Metabolism
Yury Koush, Robin A. de Graaf, Ron Kupers, Laurence Dricot, Maurice Ptito, Kevin L. Behar, Douglas L. Rothman, Fahmeed Hyder
Summary: Functional MRI can identify activated and deactivated brain regions in task paradigms, with changes in these patterns observed in diseases, leading to research into their biochemical and biophysical mechanisms. The study investigated metabolic differences in activated and deactivated brain regions, finding that BOLD responses are impacted oppositely by task-induced inhibition, and increases in aerobic glycolysis and glutamatergic activity distinguish the BOLD response in (de)activated areas.
JOURNAL OF CEREBRAL BLOOD FLOW AND METABOLISM
(2021)
Article
Automation & Control Systems
Haohui Che, Jun Chen, Yonghai Wang, Jianying Wang, Yunhao Luo
Summary: This paper proposes an improved method for attitude control of morphing vehicles, which can handle dynamics changes and disturbances. By establishing a compact data model and data-driven control scheme, the proposed method does not rely on a complicated and time-varying mathematical model. Historical output data errors are introduced to optimize the control law, ensuring convergence and stability. Numerical simulations demonstrate the effectiveness and robustness of the proposed method.
IET CONTROL THEORY AND APPLICATIONS
(2022)
Article
Green & Sustainable Science & Technology
Md. Zishan Akhter, Ahmed Riyadh Ali, Farag Khalifa Omar
Summary: This study proposes a three-dimensional bionic flap inspired by avian wings, which undergoes spanwise morphing to generate seamless wave-like deformations. The results demonstrate the superiority of morphing flaps over conventional ones in terms of lift increment, drag reduction, and enhanced glide ratio. Additionally, the spanwise morphing significantly delays flow separation and aids turbulence suppression.
SUSTAINABLE ENERGY TECHNOLOGIES AND ASSESSMENTS
(2022)
Article
Biophysics
Jelena Baranovic, Miriam Chebli, Hector Salazar, Anna L. Carbone, Katja Faelber, Albert Y. Lau, Oliver Daumke, Andrew J. R. Plested
BIOPHYSICAL JOURNAL
(2016)
Article
Multidisciplinary Sciences
Alvin Yu, Robert Alberstein, Alecia Thomas, Austin Zimmet, Richard Grey, Mark L. Mayer, Albert Y. Lau
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2016)
Article
Chemistry, Physical
Alvin Yu, Albert Y. Lau
JOURNAL OF PHYSICAL CHEMISTRY B
(2017)
Review
Neurosciences
Albert Y. Lau
NEUROSCIENCE LETTERS
(2019)
Article
Biochemistry & Molecular Biology
Alvin Yu, Albert Y. Lau
Article
Neurosciences
Albert Y. Lau, Hector Salazar, Lydia Blachowicz, Valentina Ghisi, Andrew J. R. Plested, Benoit Roux
Article
Biochemistry & Molecular Biology
Tyler J. Wied, Alfred C. Chin, Albert Y. Lau
Article
Biochemistry & Molecular Biology
Alfred C. Chin, Remy A. Yovanno, Tyler J. Wied, Ariel Gershman, Albert Y. Lau
Article
Chemistry, Medicinal
Daniel J. Evans, Remy A. Yovanno, Sanim Rahman, David W. Cao, Morgan Q. Beckett, Milan H. Patel, Afif F. Bandak, Albert Y. Lau
Summary: TACTICS is a machine-learning algorithm that uses multiple molecular structures to identify druggable sites on proteins. It employs clustering and random forest models to determine potentially bindable residues and scores residues in binding pockets using fragment docking.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Review
Neurosciences
Alfred C. Chin, Albert Y. Lau
Summary: GluD receptors are a unique subfamily of ionotropic glutamate receptors that regulate synaptic plasticity through non-ionotropic signaling, despite their similarities in sequence and structure to other glutamate receptors. Recent studies have revealed multiple conformational and thermodynamic factors governing the distinct properties of GluD receptors.
Article
Multidisciplinary Sciences
Nami Tajima, Noriko Simorowski, Remy A. Yovanno, Michael C. Regan, Kevin Michalski, Ricardo Gomez, Albert Y. Lau, Hiro Furukawa
Summary: This study reports the identification of a functional antibody that specifically targets and regulates the ion channel activity of the GluN1-GluN2B subtype of NMDA receptors. The findings suggest that antibodies can serve as specific reagents for modulating NMDA receptor functions, which has important implications for both basic research and therapeutic applications.
NATURE COMMUNICATIONS
(2022)
Article
Biology
Remy A. Yovanno, Tsung Han Chou, Sarah J. Brantley, Hiro Furukawa, Albert Y. Lau
Summary: This study investigated the mechanisms of D-serine in receptor activation and found that D-serine competes with glutamate for binding to GluN2A. The inhibitory effect of D-serine at high concentrations was confirmed through electrophysiology experiments.
Article
Chemistry, Physical
Mayukh Chakrabarti, L. Mario Amzel, Albert Y. Lau
Summary: This study investigates the conformational transition of the Sodium/Iodide Symporter (NIS) protein and provides structural insights into its intermediate states. The findings contribute to a better understanding of NIS ion transport and can potentially be used for therapeutic interventions and the study of NIS mutants.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Biochemistry & Molecular Biology
Remy A. Yovanno, Alvin Yu, Tyler J. Wied, Albert Y. Lau
Summary: This study investigates the mechanism of interconversion between the Major and CR conformations of Ser65-phosphorylated (pSer65) ubiquitin. The researchers perform molecular dynamics simulations and string method calculations to find the lowest free-energy path between these two conformers. They discover a stable Bent intermediate state and reveal that the transition from the Major to CR conformations involves decoupling of residues near pSer65 from the adjacent 01 strand.
Article
Chemistry, Physical
Mayukh Chakrabarti, Mario Amzel, Albert Y. Lau
Summary: In this study, the principal intermediate states of NIS in the conformational transition from the inwardly open state to the outwardly open state under an enforced ionic gradient were elucidated using enhanced sampling and transition path molecular dynamics simulations. The results suggest that NIS primarily occupies a proximally inward to inwardly open state, regardless of the presence of physiological ions. Additionally, a rare inwardly occluded state was observed when NIS is fully bound. This study provides novel insights into the conformational transition and ion transport of NIS, and serves as a basis for therapeutic interventions targeting NIS mutants.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
