We report the first mass photometric characterization of nanoaggregates of atomically precise nanoclusters (NCs) in solution. The differently-sized nanoaggregates of silver-gold alloy NCs, [AgAu(DPPB)ClO] [ = 1-5 and DPPB = 1,4-bis(diphenylphosphino)butane], formed in solution, were examined by mass photometry (MP) with a protein calibration. In addition, we conducted MP studies of varying solvent composition to understand the structural evolution of nanoaggregates. The masses of nanoaggregates were correlated to structures of 15 to 50 nm diameter observed in cryo-electron microscopy.
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Phys Rev Lett
December 2024
Laboratoire De Physique de l'École Normale Supérieure, ENS, PSL, CNRS, Sorbonne Université, Université de Paris, 24 rue Lhomond, 75005 Paris, France.
Electric quadrupole traps are a leading technology for suspending charged objects ranging in size from single protons to atomic and molecular ions, and even to nano- and micron-sized bodies. If the levitated objects' charge distribution contains multipoles, the time-dependent trapping fields can significantly impact its rotational motion. Here, we experimentally observe the transition from librational motion to a regime where a microparticle rotates in sync with the trap drive.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Liaoning Key Laboratory of Manufacturing System and Logistics Optimization, Shenyang 110819, China.
Artificial intelligence technology has introduced a new research paradigm into the fields of quantum chemistry and materials science, leading to numerous studies that utilize machine learning methods to predict molecular properties. We contend that an exemplary deep learning model should not only achieve high-precision predictions of molecular properties but also incorporate guidance from physical mechanisms. Here, we propose a framework for predicting molecular properties based on data-driven electron density images, referred to as D3-ImgNet.
View Article and Find Full Text PDFAlzheimers Dement
December 2024
Kanazawa University Graduate School of Medical Sciences, Kanazawa, Japan.
Background: The growing number of AD patients is a public concern all over the world. During the decade, anti-amyloid beta-proteins (Aβ) monoclonal antibodies for AD patients have been developed. Among the immunotherapeutic agents, lecanemab is an anti-Aβ monoclonal antibody that binds to Aβ protofibrils (Aβ PFs), which is an intermediate molecule in Aβ species.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Key Laboratory of Precision and Intelligent Chemistry, Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
Electron density is a fundamental quantity that can in principle determine all ground state electronic properties of a given system. Although machine learning (ML) models for electron density based on either an atom-centered basis or a real-space grid have been proposed, the demand for a number of high-order basis functions or grid points is enormous. In this work, we propose an efficient grid-point sampling strategy that combines targeted sampling favoring a large density and a screening of grid points associated with linearly independent atomic features.
View Article and Find Full Text PDFInorg Chem
January 2025
School of Chemistry and Chemical Engineering, Nanchang University, Nanchang 330031, P. R. China.
Organic-inorganic hybrid lead halides have been extensively studied due to their outstanding physical properties and diverse compositional elements. However, environmentally benign tin-based hybrids with remarkable flexibility in bandgap engineering have been less investigated. Herein, we report the successful design and synthesis of three tin-based organic-inorganic hybrid compounds through precise molecular modification: [Me(i-Pr)N][SnBr] (), [MeCHCl(i-Pr)N][SnBr] (), and [MeCHBr(i-Pr-Br)N][SnBr] ().
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