This article proposes a model for chemical reactivity that involves singularities ("catastrophes") in the timing of bond-making and bond-breaking events. The common stapler is a good mechanical analogy: As hand-pressure is increased on the machine, the staple hardly changes its configuration until the staple suddenly bends. This is viewed as a singularity or catastrophe, defined classically as an abrupt change resulting from a smooth increase or decrease in external conditions (pressure in the case of a stapler, distance in the case of reactivity). Although experimental observations are provided to support the singularity effect, the model remains a heterodox notion at the present time.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1002/chem.200902683 | DOI Listing |
J Am Chem Soc
January 2025
State Key Laboratory of Precision and Intelligent Chemistry, CAS Key Laboratory of Mechanical Behavior and Design of Materials, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China.
Recent progress in superconductor-insulator transition has shed light on the intermediate metallic state with unique electronic inhomogeneity. The microscopic model, suggesting that carrier spatial distribution plays a decisive role in the intermediate state, has been instrumental in understanding the quantum transition. However, the narrow carrier density window in which the intermediate state exists necessitates precise control of the gate dielectric layer, presenting a challenge to in situ map the carrier spatial distribution.
View Article and Find Full Text PDFEntropy (Basel)
December 2024
School of Metallurgy, Northeastern University, Shenyang 110819, China.
In the present study, the Homotopy Levenberg-Marquardt Algorithm (HLMA) and the Parameter Variation Levenberg-Marquardt Algorithm (PV-LMA), both developed in the context of high-temperature composition, are proposed to address the equilibrium composition model of plasma under the condition of local thermodynamic and chemical equilibrium. This model is essentially a nonlinear system of weakly singular Jacobian matrices. The model was formulated on the basis of the Saha and Guldberg-Waage equations, integrated with Dalton's law of partial pressures, stoichiometric equilibrium, and the law of conservation of charge, resulting in a nonlinear system of equations with a weakly singular Jacobian matrix.
View Article and Find Full Text PDFInt J Offender Ther Comp Criminol
January 2025
Diana R. Garland School of Social Work, Baylor University, Houston, TX, USA.
Most studies on the impact of maternal incarceration on adolescent health risk behaviors have focused on singular, separated behaviors, even though these behaviors often cluster and co-occur. This study used the FFCWS dataset to examine the association between maternal incarceration and the aggregation of health risk behaviors among adolescents. Latent class analysis suggested the four-class model had the optimal model fit.
View Article and Find Full Text PDFSci Rep
January 2025
Affiliated Hospital 6 of Nantong University, Yancheng Third People's Hospital, Yancheng, 224001, Jiangsu, China.
Convolutional Neural Networks (CNNs) have achieved remarkable segmentation accuracy in medical image segmentation tasks. However, the Vision Transformer (ViT) model, with its capability of extracting global information, offers a significant advantage in contextual information compared to the limited receptive field of convolutional kernels in CNNs. Despite this, ViT models struggle to fully detect and extract high-frequency signals, such as textures and boundaries, in medical images.
View Article and Find Full Text PDFNature
January 2025
Institute of Computational Biology, Helmholtz Center, Munich, Germany.
Single-cell genomic technologies enable the multimodal profiling of millions of cells across temporal and spatial dimensions. However, experimental limitations hinder the comprehensive measurement of cells under native temporal dynamics and in their native spatial tissue niche. Optimal transport has emerged as a powerful tool to address these constraints and has facilitated the recovery of the original cellular context.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!