Article
Chemistry, Analytical
Daisy Unsihuay, Ruichuan Yin, Daniela Mesa Sanchez, Manxi Yang, Yingju Li, Xiaofei Sun, Sudhansu K. Dey, Julia Laskin
Summary: The study introduces a novel experimental platform that combines nano-DESI and IM spectrometry for high spatial resolution imaging of molecules in mouse uterine tissues, providing unique molecular descriptors and revealing variations in isomeric composition through isomer-specific imaging.
ANALYTICA CHIMICA ACTA
(2021)
Article
Chemistry, Physical
Sergey Novikov
Summary: This study examines charge transport in amorphous semiconductors with spatially correlated exponential density of states. The research finds that the average carrier velocity and temperature have an impact on the transport regime under specific conditions, and also discovers the variation of mobility under different field strengths.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Multidisciplinary Sciences
Siqin Wang, Xiao Huang, Bing She, Zhenlong Li
Summary: The COVID-19 pandemic has had catastrophic impacts on the restaurant industry. This study examines the effects of COVID-19 on the US restaurant industry using data from Yelp and SafeGraph. The findings provide quantitative evidence of lost restaurant visitations and revenue during the pandemic, changes in customer origins, and the diminishing distance-decay effect on visitations. These findings are useful for policymakers in monitoring economic relief measures and designing targeted policies for economic recovery.
Article
Biochemistry & Molecular Biology
Konstantin Roeder, David J. Wales
Summary: This paper discusses the energy landscape perspective and biomolecules with multiple functions. Understanding the organization of the energy landscape provides new insights into function. Conformational selection and induced fit may serve as alternative routes to achieve multifunctionality.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Manuel Sellner, Andre Fischer, Charleen G. Don, Martin Smiesko
Summary: Research using molecular dynamics simulations and protein-protein docking revealed the mechanism of conformational changes between cytochrome P450 enzymes and cytochrome P450 reductase, as well as proposed new conformational transition mechanisms and structural mechanisms for susceptibility to redox states.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Analytical
Erik Saparbaev, Andrei Zviagin, Oleg Boyarkin
Summary: We propose a universal approach for the quantitative identification of different isomeric biomolecules using infrared fragment cold ion spectroscopy. The method utilizes solvent molecules as natural tags, eliminating the need for any special compounds and allowing for the measurement of relative concentrations of isomers.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Melanie Cheung See Kit, Tyler C. Cropley, Christian Bleiholder, Christopher D. Chouinard, Frank Sobott, Ian K. Webb
Summary: By comparing solution and gaseous structural ensembles, we gained new insights into the conformational preferences of the flexible protein alpha-synuclein, and also revealed the role of solvent in stabilizing protein conformations.
Article
Astronomy & Astrophysics
Ryan J. Cooke, Pasquier Noterdaeme, James W. Johnson, Max Pettini, Louise Welsh, Celine Peroux, Michael T. Murphy, David H. Weinberg
Summary: The study reports the first direct measurement of the helium isotope ratio He-3/He-4 outside the Local Interstellar Cloud, discussing galactic chemical evolution simulations and the mechanism of helium isotope galactic formation. Additionally, an empirical limit on the primordial He-3 abundance is inferred, and the challenge of explaining discrepancies with nonstandard physics is highlighted, given the remarkable simultaneous agreement of three primordial element ratios with the Standard Model values.
ASTROPHYSICAL JOURNAL
(2022)
Review
Chemistry, Multidisciplinary
Junjie Hu, Fei Liu, Yunlong Chen, Guoqiang Shangguan, Huangxian Ju
Summary: This review summarizes the principle of mass spectrometric sensing, construction of different mass tags for biosensing, and typical combination mode of mass spectrometric imaging (MSI) technique. Future perspectives including the design of portable matching platforms, exploitation of novel mass tags, development of effective signal amplification strategies, and standardization of MSI methodologies are proposed to advance the field of mass spectrometric biosensing.
Article
Nanoscience & Nanotechnology
Jan Becker, Jack S. Peters, Ivor Crooks, Seham Helmi, Marie Synakewicz, Benjamin Schuler, Philipp Kukura
Summary: Label-free detection of single biomolecules in solution has been achieved using various experimental approaches, but our understanding of the optical contrast and its relationship with atomic structure, as well as the measurement sensitivity and precision, is still unclear. In this study, a Fourier optics approach combined with an atomic structure-based molecular polarizability model is used to simulate mass photometry experiments, resulting in excellent agreement with experimentally determined parameters. This provides a general framework for light-based single-molecule detection and quantification that is independent of the optical detection approach chosen.
Article
Multidisciplinary Sciences
Nichola J. Starr, Mohammed H. Khan, Max K. Edney, Gustavo F. Trindade, Stefanie Kern, Alexander Pirkl, Matthias Kleine-Boymann, Christopher Elms, Mark M. O'Mahony, Mike Bell, Morgan R. Alexander, David J. Scurr
Summary: In this study, the 3D OrbiSIMS technique was used to analyze the molecular chemistry of human skin tissue and provide unprecedented details about the nonhomogeneity of the stratum corneum. The analysis resolved debates about chemical gradients within the epidermis and revealed similarities in epidermal compounds between human and porcine skin. Additionally, the study demonstrated the permeation of an antiaging peptide into the human stratum corneum.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Biochemistry & Molecular Biology
Janka Czigleczki, Pedro Tulio De Resende Lara, Balint Dudas, Hyunbum Jang, David Perahia, Ruth Nussinov, Erika Balog
Summary: Ran regulates nucleo-cytoplasmic import and export through the nuclear pore complex. It switches between inactive and active state and undergoes conformational changes. The C-terminal region embraces the Ran binding domains in the active form, but its structure remains unresolved in the absence of Ran binding domains.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Christoph Plett, Stefan Grimme, Andreas Hansen
Summary: The computational prediction of molecular properties relies on reliable benchmark sets, however currently available sets do not account for solvent effects. This study introduces a solvated benchmark set with explicit water molecules, and provides accurate reference values for conformational energies of biomolecules in aqueous solution.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Hematology
Jose E. E. Pinelo, Pragya Manandhar, Grega Popovic, Katherine Ray, Mehmet F. Tasdelen, Quoc Nguyen, Anthony T. Iavarone, Adam R. Offenbacher, Nathan E. Hudson, Mehmet Sen
Summary: Using multiple biophysical methods, we obtained a conformational dynamic model of human fibrinogen in solution, revealing four distinct conformations and a high degree of internal protein flexibility. This provides a molecular basis for the functional diverse macromolecular interactions and mechanical properties of blood clots.
JOURNAL OF THROMBOSIS AND HAEMOSTASIS
(2023)
Article
Green & Sustainable Science & Technology
Li Won Kim
Summary: The mobility of things has become increasingly important in modern cities, shaping the landscapes of urban areas. Understanding the role of mobility in urban landscapes is crucial for future sustainable urban planning.
