A green method of the oxidation of benzylamines to imines was developed using a novel binary system of Au/C-CuO. This system was evaluated under atmospheric oxygen, and the corresponding imines were obtained in up to 100% yields by loading 0.006 mol % of Au/C and 1.25 mol % of CuO under mild conditions. This system was also successfully applied to the syntheses of -containing functional molecules, as well as that of imines on the scale of several grams. Furthermore, the turnover number of the system (more than 8000 times on a gold basis) as well as its ability to be reused more than 10 times for benzylamine oxidation demonstrates the excellent durability and recyclability of the developed system.
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http://dx.doi.org/10.1021/acsomega.1c04046 | DOI Listing |
J Cheminform
January 2025
School of Systems Biomedical Science, Soongsil University, 369 Sangdo-ro, Dongjak-gu, 06978, Seoul, Republic of Korea.
G protein-coupled receptors (GPCRs) play vital roles in various physiological processes, making them attractive drug discovery targets. Meanwhile, deep learning techniques have revolutionized drug discovery by facilitating efficient tools for expediting the identification and optimization of ligands. However, existing models for the GPCRs often focus on single-target or a small subset of GPCRs or employ binary classification, constraining their applicability for high throughput virtual screening.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Public Health and Community Medicine, Central University of Kerala, Tejaswini Hills, Periya, Kasaragod, Kerala, 671320, India.
Continuum of care (CoC) in maternal health services refers to a pathway spanning from pregnancy and childbirth to post-pregnancy, covering routine antenatal care (ANC), institutional delivery (ID), and post-natal services (PNC). The current study aims to investigate the distribution, trends, dropouts, and determinants of maternal health services (ANC, ID, and PNC) utilization along the CoC pathway using NFHS-4 and NFHS-5 datasets from 2015 to 2021. The binary logistic regression examined the association between the continuum of maternal health services utilization and the predictor variables.
View Article and Find Full Text PDFPhilos Trans A Math Phys Eng Sci
January 2025
KIOS Research and Innovation Center of Excellence (KIOS CoE) and Department of Electrical and Computer Engineering, University of Cyprus, Nicosia 1678, Cyprus.
This work proposes a coverage controller that enables an aerial team of distributed autonomous agents to collaboratively generate non-myopic coverage plans over a rolling finite horizon, aiming to cover specific points on the surface area of a three-dimensional object of interest. The collaborative coverage problem, formulated as a distributed model predictive control problem, optimizes the agents' motion and camera control inputs, while considering inter-agent constraints aiming at reducing work redundancy. The proposed coverage controller integrates constraints based on light-path propagation techniques to predict the parts of the object's surface that are visible with regard to the agents' future anticipated states.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Key Laboratory for Laser Plasmas and School of Physics and Astronomy, and Collaborative Innovation Center of IFSA, Shanghai Jiao Tong University, Shanghai 200240, China.
Time-dependent density functional theory (TDDFT) is widely used for understanding and predicting properties and behaviors of matter. As one of the fundamental theorems in TDDFT, Van Leeuwen theorem [Phys. Rev.
View Article and Find Full Text PDFGerontologist
January 2025
Department of Health & Community Systems, School of Nursing, University of Pittsburgh, Pittsburgh, PA, USA.
Background And Objectives: People living with dementia experience progressive functional decline and increased dependence on caregivers. This study examined the influence of caregivers' dementia health literacy on perceptions of medical care preferences and advanced care planning (ACP) in people living with dementia.
Research Design And Methods: This analysis used data from a cross-sectional survey, "Care Planning for Individuals with Dementia", administered nationwide by Alzheimer's Disease Centers.
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