Yalcin, Kaan Kumar, Ram Zuidema, Erik Kulkarni, Ambarish R Ciston, Jim Bustillo, Karen C Ercius, Peter Katz, Alexander Gates, Bruce C Kronawitter, Coleman X
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Isolated platinum(II) ions anchored at acid sites in the pores of zeolite HZSM-5, initially introduced by aqueous ion exchange, were reduced to form platinum nanoparticles that are stably dispersed with a narrow size distribution (1.3 ± 0.4 nm in average diameter). The nanoparticles were confined in reservoirs within the porous zeolite particles, a...
Wang, Han Su, Gregory M Barnett, Brandon R Drisdell, Walter S Long, Jeffrey R Prendergast, David
The L2,3-edge X-ray absorption spectra of late transition metals such as Cu, Ag, and Au exhibit absorption onsets lower in energy for higher oxidation states, which is at odds with the measured spectra of earlier transition metals. Time-dependent density functional theory calculations for Cu2+/Cu+ reveal a larger 2p core-exciton binding energy for ...
Roberts, Eric J Chavez, Tanny Hexemer, Alexander Zwart, Petrus H
DLSIA (Deep Learning for Scientific Image Analysis) is a Python-based machine learning library that empowers scientists and researchers across diverse scientific domains with a range of customizable convolutional neural network (CNN) architectures for a wide variety of tasks in image analysis to be used in downstream data processing. DLSIA features...
Høilund-Carlsen, Poul F. Alavi, Abass Castellani, Rudolph J. Neve, Rachael L. Perry, George Revheim, Mona-Elisabeth Barrio, Jorge R.
The amyloid cascade hypothesis for Alzheimer’s disease is still alive, although heavily challenged. Effective anti-amyloid immunotherapy would confirm the hypothesis’ claim that the protein amyloid-beta is the cause of the disease. Two antibodies, aducanumab and lecanemab, have been approved by the U.S. Food and Drug Administration, while a third, ...
Viana Cabral, Fernanda Quilez Alburquerque, Jose Roberts, Harrison James Hasan, Tayyaba
The persistent failure of standard chemotherapy underscores the urgent need for innovative and targeted approaches in cancer treatment. Photodynamic therapy (PDT) has emerged as a promising photochemistry-based approach to address chemoresistance in cancer regimens. PDT not only induces cell death but also primes surviving cells, enhancing their su...
Poths, Patricia Vargas, Santiago Sautet, Philippe Alexandrova, Anastassia N
Denoel, Fernand Huang, Yu-Chin Kondedan, Neha Rydh, Andreas Pay Gómez, Cesar Mathieu, Roland
Published in
Inorganic chemistry
The effect of Eu doping in the Tsai quasicrystal (QC) GdCd7.88 and its periodic 1/1 approximant crystal (AC) GdCd6 are investigated. This represents the first synthesis of Eu-containing stable QC samples, where three samples with the final composition Gd1-xEuxCd7.6±α at Eu doping concentrations x = 0.06, 0.13, and 0.19 are obtained (α ∼ 0.2). They ...
Sterling, Alistair J Ciccia, Nicodemo R Guo, Yifan Hartwig, John F Head-Gordon, Martin
The catalytic transformation of C-H to C-N bonds offers rapid access to fine chemicals and high-performance materials, but achieving high selectivity from undirected aminations of unactivated C(sp3)-H bonds remains an outstanding challenge. We report the origins of the reactivity and selectivity of a Cu-catalyzed C-H amidation of simple alkanes. Us...
Zhu, Ziting Tsai, Hsinhan Parker, Surya T Lee, Jung-Hoon Yabuuchi, Yuto Jiang, Henry ZH Wang, Yang Xiong, Shuoyan Forse, Alexander C Dinakar, Bhavish
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Diamine-appended Mg2(dobpdc) (dobpdc4- = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) metal-organic frameworks are promising candidates for carbon capture that exhibit exceptional selectivities and high capacities for CO2. To date, CO2 uptake in these materials has been shown to occur predominantly via a chemisorption mechanism involving CO2 insertion ...
Urzhumtsev, Alexandre Adams, Paul Afonine, Pavel
The bulk solvent is a major component of biomacromolecular crystals that contributes significantly to the observed diffraction intensities. Accurate modelling of the bulk solvent has been recognized as important for many crystallographic calculations. Owing to its simplicity and modelling power, the flat (mask-based) bulk-solvent model is used by m...