Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.11405/nisshoshi.121.523 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Palladium-Catalyzed Oxidative Allene-Allene Cross-Coupling.
J Am Chem Soc
January 2025
Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, SE-10691 Stockholm, Sweden.
Direct cross-coupling reactions between two similar unactivated partners are challenging but constitute a powerful strategy for the creation of new carbon-carbon bonds in organic synthesis. [4]Dendralenes are a class of acyclic branched conjugated oligoenes with great synthetic potential for the rapid generation of structural complexity, yet the chemistry of [4]dendralenes remains an unexplored field due to their limited accessibility. Herein, we report a highly selective palladium-catalyzed oxidative cross-coupling of two allenes with the presence of a directing olefin in one of the allenes, enabling the facile synthesis of a broad range of functionalized [4]dendralenes in a convergent modular manner.
View Article and Find Full Text PDFSDSPT2s:SDSPT2 with Selection.
J Chem Theory Comput
January 2025
Qingdao Institute for Theoretical and Computational Sciences and Center for Optics Research and Engineering, Shandong University, Qingdao 266237, China.
As an approximation to SDSCI [static-dynamic-static (SDS) configuration interaction (CI), a minimal MRCI; , , 1481], SDSPT2 [ , , 2696] is a CI-like multireference (MR) second-order perturbation theory (PT2) that treats single and multiple roots in the same manner. This feature permits the use of configuration selection over a large complete active space (CAS) to end up with a much reduced reference space ̃, which is connected only with a small portion (̃) of the full first-order interacting space connected to . The most expensive portion of the reduced interacting ̃ space (which involves three active orbitals) can further be truncated by partially bypassing its generation followed by an integral-based cutoff.
View Article and Find Full Text PDFExperiment-Guided Refinement of Milestoning Network.
J Chem Theory Comput
January 2025
Qingdao Institute for Theoretical and Computational Sciences, School of Chemistry and Chemical Engineering, Shandong University, Qingdao, Shandong 266237, P.R. China.
Milestoning is an efficient method for calculating rare event kinetics by constructing a continuous-time kinetic network that connects the reactant and product states. Its accuracy depends on both the quality of the underlying force fields and the trajectory sampling. The sampling error can be effectively controlled through various methods.
View Article and Find Full Text PDFInvestigating the relationship between the immune response and the severity of COVID-19: a large-cohort retrospective study.
Front Immunol
January 2025
Physics Department, International School for Advanced Studies (SISSA), Trieste, Italy.
The COVID-19 pandemic has left an indelible mark globally, presenting numerous challenges to public health. This crisis, while disruptive and impactful, has provided a unique opportunity to gather precious clinical data extensively. In this observational, case-control study, we utilized data collected at the Azienda Sanitaria Universitaria Friuli Centrale, Italy, to comprehensively characterize the immuno-inflammatory features in COVID-19 patients.
View Article and Find Full Text PDFMental and Oral Health: A Dual Frontier in Healthcare Integration and Prevention.
Cureus
December 2024
Public Health Dentistry, Sri Ramaswamy Memorial (SRM) Kattankulathur Dental College and Hospital, Sri Ramaswamy Memorial Institute of Science and Technology (SRMIST), Chennai, IND.
Mental and oral health are interrelated, and problems in one area usually affect the other. This review discusses the complex relationships between oral and mental health, particularly the psychosocial challenges faced by individuals with mental health disorders in maintaining oral hygiene, including stigma, lack of access to care, and financial barriers. It also discusses how psychiatric conditions influence oral health, with regard to issues such as dry mouth, gum disease, and tooth decay, and how poor oral health can aggravate mental well-being.
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!