Article
Physics, Multidisciplinary
Martin R. Evans, Satya N. Majumdar, Gregory Schehr
Summary: In this study, we investigate the survival probability and encounter frequency distribution of a diffusing particle (prey) interacting with a swarm of diffusing predators. The results reveal that both the survival probability and encounter frequency distribution depend on the parameters of the model, and the numerical simulations agree well with the analytical results.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2022)
Article
Materials Science, Multidisciplinary
Kun Yang
Summary: The model introduced supports Fermi arcs in its ground state and excitation spectrum, which come in pairs and merge into a pseudo-Fermi surface. Along this surface, fermions are gapped, with the fermion gap being identified as a pseudogap. A comparison will be made with the phenomenology of high-temperature cuprate superconductors.
Article
Physics, Fluids & Plasmas
Yash Chugh, Kusum Dhochak, Uma Divakaran, Prithvi Narayan, Amit Kumar Pal
Summary: In this paper, we generalize one-dimensional quantum XY and Ising-like models using 2-dimensional gamma matrices as degrees of freedom. The resulting models have quadratic Fermionic Hamiltonians with Jordan-Wigner-like transformations. We illustrate these techniques using a specific case of 4-dimensional gamma matrices and explore the quantum phase transitions present in the model.
Article
Chemistry, Physical
A. Nagy
Summary: A recently developed variant of density functional theory uses a set of spherically symmetric densities instead of the density itself. The exact functionals for this new theory are unknown, similar to the standard density functional theory. In order to test approximate functionals, analytically solvable models are introduced. These models include a harmonic molecular ion, an analogue to the hydrogen molecule ion, and a harmonic two-electron molecule showing analogy to the hydrogen molecule. It has been discovered that the wave function and the density can be expressed analytically, along with the exact spherical densities and effective potentials of the Euler equations. The models have also been shown to be easily extendable to multiple nuclei.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
Carolyn Zhang, Michael Levin
Summary: We propose an exactly solvable lattice model to study the deconfined quantum critical point (DQCP) in (1+1) dimensions, which occurs at the edge of a (2+1) dimensional bosonic symmetry protected topological (SPT) phase with 7L2 x 7L2 symmetry. The DQCP describes a transition between two gapped edges that break different 7L2 subgroups of the full 7L2 x 7L2 symmetry. This model provides an exact mapping between the SPT edge theory and a 7L4 spin chain, revealing the close relationship between DQCPs in this system and ordinary 7L4 symmetry breaking critical points.
PHYSICAL REVIEW LETTERS
(2023)
Article
Physics, Fluids & Plasmas
Balazs Pozsgay, Arthur Hutsalyuk, Levente Pristyak, Gabor Takacs
Summary: In this paper, we introduce an integrable spin ladder model and study its exact solution, correlation functions, and entanglement properties. The sublattice entanglement is also analyzed using numerical methods.
Article
Physics, Multidisciplinary
Angel Ricardo Plastino, Diana Monteoliva, Angelo Plastino
Summary: The study focuses on information and complexity indicators in finite quantum many fermion systems, revealing new aspects of their structure and behavior. By comparing different fermion systems using information measures, it is shown that few fermion systems exhibit higher complexity than many fermion systems. The behavior of the two lowest energy states is crucial in evaluating the complexity of the system.
Article
Food Science & Technology
Daniele Penteado Rosa, Rodrigo Rodrigues Evangelista, Andre Luiz Borges Machado, Marcio Augusto Ribeiro Sanches, Javier Telis-Romero
Summary: This research evaluated sorption isotherms and thermodynamic properties of papaya seeds at different temperatures, showing that the equilibrium moisture content of papaya seeds decreased with increasing temperature, and the adsorption process was enthalpy-driven.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2021)
Article
Engineering, Electrical & Electronic
Benjamin K. Rhea, R. Chase Harrison, Frank T. Werner, Edmon Perkins, Robert N. Dean
Summary: An alternative implementation of a chaotic oscillator circuit was proposed, replacing the previously used op amp based NIC sinusoidal oscillator subcircuit with a single BJT Colpitts oscillator subcircuit. Despite an increase in the system's order and additional nonlinearities, simulation and hardware testing results showed that its performance was comparable to the exactly solvable chaotic system. The evaluation of the resulting oscillator circuit demonstrated chaotic dynamics comparable to the ideal exactly solvable chaotic system.
IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS II-EXPRESS BRIEFS
(2021)
Article
Chemistry, Physical
Qiong He, Hongkun Zhao, Cheng Yao
Summary: This study investigates the solubility profile, solvation behavior, and inter- and intramolecular interactions of the binary systems formed by 5-chlorooxine (I) in different aqueous solutions. Computational methods were employed to analyze the solubility performance and solvation behavior. The results show that the solubility of 5-chlorooxine (I) is mainly influenced by the dipolarity-polarizability and solubility parameter of the solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemistry & Molecular Biology
Marko Popovic, Vojin Tadic, Marija Mihailovic
Summary: This paper reports the chemical and biothermodynamic properties of insulin biosynthesis, including the molecular and empirical formulas, biosynthesis reactions, and thermodynamic properties of multiple components of insulin. Metabolic reactions for converting preproinsulin to insulin and their thermodynamic feasibility were also analyzed.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Physics, Multidisciplinary
Christian J. Eckhardt, Giacomo Passetti, Moustafa Othman, Christoph Karrasch, Fabio Cavaliere, Michael A. Sentef, Dante M. Kennes
Summary: Recent experimental advances have allowed the manipulation of quantum matter using the quantum nature of light. However, there is a lack of exactly solvable models in the solid-state quantum materials context. In this study, a solvable model coupling a tight-binding chain to a single cavity mode is presented, and important properties of the system are revealed.
COMMUNICATIONS PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Sonal Bhadauriya, Xiaoteng Wang, Asritha Nallapaneni, Ali Masud, Zongyu Wang, Jaejun Lee, Michael R. Bockstaller, Abdullah M. Al-Enizi, Charles H. Camp, Christopher M. Stafford, Jack F. Douglas, Alamgir Karim
Summary: The concentration of nanoparticles in PNC films was found to be proportional to the thermal stability of the films, with a change in slope at a compensation temperature. Entropy-enthalpy compensation is confirmed as a general feature of PNC films, impacting the stability.
Article
Chemistry, Multidisciplinary
Maziar S. Ardejani, Louis Noodleman, Evan T. Powers, Jeffery W. Kelly
Summary: The study demonstrates that stereoelectronic effects play a role in stabilizing protein-N-glycan interactions, with enthalpy-entropy compensation depending on the electronics of interacting side chains. Models using quantum mechanical calculations and machine learning can explain up to 79% and 97% of the experimental interaction energy variability.
Article
Chemistry, Physical
Huanxin Li, Yingnan Xie, Yan Xue, Peizhi Zhu, Hongkun Zhao
Summary: This research focused on the solubility and solvation behavior of dapsone in different solvent systems. The highest solubility of dapsone was found in neat ethanol/ethyl acetate/methanol/acetone, while the lowest solubility was in neat ethanol or water. Various common relationships were used to analyze the solubility data obtained from the experiments.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Meeting Abstract
Biophysics
Darren N. Kahan, Ruofan Chen, Joshua Riback, Christopher Katanski, Allan Drummond, Tobin R. Sosnick
BIOPHYSICAL JOURNAL
(2019)
Meeting Abstract
Biophysics
Jacob B. Usadi, Karl Freed, Esmael Haddadian
BIOPHYSICAL JOURNAL
(2019)
Meeting Abstract
Biophysics
Zongan Wang, John M. Jumper, Karl F. Freed, Tobin R. Sosnick
BIOPHYSICAL JOURNAL
(2019)
Meeting Abstract
Biophysics
Kevin C. Song, Younghoon Koh, Eduardo Perozo, Benoit Roux, Tobin R. Sosnick
BIOPHYSICAL JOURNAL
(2019)
Meeting Abstract
Biophysics
Benoit Roux, Kevin Song, Young Hoon Koh, Eduardo Perozo, Tobin R. Sosnick
BIOPHYSICAL JOURNAL
(2019)
Article
Multidisciplinary Sciences
Joshua A. Riback, Micayla A. Bowman, Adam M. Zmyslowski, Kevin W. Plaxco, Patricia L. Clark, Tobin R. Sosnick
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2019)
Article
Biophysics
Zongan Wang, John M. Jumper, Karl F. Freed, Tobin R. Sosnick
BIOPHYSICAL JOURNAL
(2019)
Article
Chemistry, Physical
Jacek Dudowicz, Jack F. Douglas, Karl F. Freed
JOURNAL OF CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Jacek Dudowicz, Jack F. Douglas, Karl F. Freed
JOURNAL OF CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Xiangda Peng, Michael Baxa, Nabil Faruk, Joseph R. Sachleben, Sebastian Pintscher, Isabelle A. Gagnon, Scott Houliston, Cheryl H. Arrowsmith, Karl F. Freed, Gabriel J. Rocklin, Tobin R. Sosnick
Summary: Combining denaturant dependence of hydrogen-deuterium exchange (HDX) and molecular dynamics (MD) allows for accurate identification of individual hydrogen bonds breaking and mapping the free energy surface (FES) of proteins. The new and extremely fast MD package Upside has been shown to accurately model protein folding compared to all-atom methods. By modifying the energy function using machine-learning, Upside's accuracy has significantly improved in replicating HDX data and protein stability. However, challenges remain in accurately calculating FESs in simulations.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2022)
Article
Chemistry, Physical
Nabil F. Faruk, Xiangda Peng, Karl F. Freed, Benoit Roux, Tobin R. Sosnick
Summary: Predicting protein binding is a challenging problem in computational biophysics. While docking algorithms based on rigid protein models can achieve some success, accurately capturing the conformational changes during binding remains difficult. This study investigates the impact of flexibility on predictions of protein-protein complexes using the Upside folding model. The results show that allowing backbone flexibility is generally detrimental to docking performance, but in the case of co-folding of flexible loops, it can improve binding.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2022)
Meeting Abstract
Chemistry, Multidisciplinary
Zongan Wang, John Jumper, Karl Freed, Tobin Sosnick
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
Meeting Abstract
Chemistry, Multidisciplinary
Joshua Riback, Micayla Bowman, Adam Zmyslowski, Kevin Plaxco, Patricia Clark, Tobin Sosnick
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
Article
Chemistry, Multidisciplinary
Josiah P. Zayner, Tilo Mathes, Tobin R. Sosnick, John T. M. Kennis
Meeting Abstract
Biophysics
Joshua A. Riback, Micayla A. Bowman, Adam M. Zmyslowski, Kevin W. Plaxco, Patricia L. Clark, Tobin R. Sosnick
BIOPHYSICAL JOURNAL
(2018)