For decades, chemists have explored cluster compounds according to theoretical models that have proved too simplistic to accurately predict cluster properties, stabilities and functions. By incorporating molecular symmetry into existing cluster models, we can better study real polyatomic molecules and have new guidelines for their design. This symmetry-adapted cluster model allows us to discover substances that shatter the conventional notion of clusters. Theoretical predictors will point to the viability of new clusters, whose syntheses can be realized with parallel advances in experimental methods. This Perspective describes these modern experimental and theoretical strategies for cluster design and how they may give rise to new fields in cluster chemistry.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1038/s41570-021-00267-4 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
The design space of E(3)-equivariant atom-centred interatomic potentials.
Nat Mach Intell
January 2025
Engineering Laboratory, University of Cambridge, Cambridge, UK.
Molecular dynamics simulation is an important tool in computational materials science and chemistry, and in the past decade it has been revolutionized by machine learning. This rapid progress in machine learning interatomic potentials has produced a number of new architectures in just the past few years. Particularly notable among these are the atomic cluster expansion, which unified many of the earlier ideas around atom-density-based descriptors, and Neural Equivariant Interatomic Potentials (NequIP), a message-passing neural network with equivariant features that exhibited state-of-the-art accuracy at the time.
View Article and Find Full Text PDFPosition-based assessment of head impact frequency, severity, type, and location in high school American football.
Front Bioeng Biotechnol
January 2025
Department of Biomedical Engineering and Chemical Engineering, University of Texas at San Antonio, San Antonio, TX, United States.
Introduction: Research on head impact characteristics, especially position-specific investigations in football, has predominantly focused on collegiate and professional levels, leaving a gap in understanding the risks faced by high school players. Therefore, this study aimed to investigate the effect of three factors-player position, impact location, and impact type-on the frequency, severity, and characteristics of impacts in high school American football. Additionally, we examined whether and how player position influences the distribution of impact locations and types.
View Article and Find Full Text PDFKnowledge, practice, and attitudes regarding breast cancer self-examination among women of reproductive age in Saudi Arabia: a community-based study.
J Med Life
December 2024
College of Medicine, Majmaah University, Al Majma'ah, Saudi Arabia.
Breast cancer is the second most common cancer among females worldwide and can often be detected at an early stage through breast self-examination (BSE). However, in many developing countries, most cases are diagnosed at advanced stages. This study aimed to assess the knowledge and practice of BSE among women of reproductive age in Saudi Arabia.
View Article and Find Full Text PDFBrain Age as a New Measure of Disease Stratification in Huntington's Disease.
Mov Disord
January 2025
School of Psychological Sciences and Turner Institute for Brain and Mental Health, Monash University, Melbourne, Victoria, Australia.
Background: Despite advancements in understanding Huntington's disease (HD) over the past two decades, absence of disease-modifying treatments remains a challenge. Accurately characterizing progression states is crucial for developing effective therapeutic interventions. Various factors contribute to this challenge, including the need for precise methods that can account for the complex nature of HD progression.
View Article and Find Full Text PDFSynaptic cleft geometry modulates NMDAR opening probability by tuning neurotransmitter residence time.
Biophys J
January 2025
Department of Pharmacology, School of Medicine, University of California San Diego, CA 92093, USA; Department of Mechanical and Aerospace Engineering, University of California San Diego, CA 92093, USA. Electronic address:
Synaptic morphology plays a critical role in modulating the dynamics of neurotransmitter diffusion and receptor activation in interneuron communication. Central physical aspects of synaptic geometry, such as the curvature of the synaptic cleft, the distance between the presynaptic and postsynaptic membranes, and the surface area-to-volume ratio of the cleft, crucially influence glutamate diffusion and N-Methyl-D-Aspartate receptor (NMDAR) opening probabilities. In this study, we developed a stochastic model for receptor activation using realistic synaptic geometries.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!