We present an extension of the single channel source-sink potential approach [F. Goyer, M. Ernzerhof, and M. Zhuang, J. Chem. Phys. 126, 144104 (2007)] for molecular electronic devices (MEDs) to multiple channels. The proposed multichannel source-sink potential method relies on an eigenchannel description of conducting states of the MED which are obtained by a self-consistent algorithm. We use the newly developed model to examine the transport of the 1-phenyl-1,3-butadiene molecule connected to two coupled rows of atoms that act as contacts on the left and right sides. With an eigenchannel description of the wave function in the contacts, we determined that one of the eigenchannels is effectively closed by the interference effects of the side chain. Furthermore, we provide an example where we observe a complete inversion (from bonding to antibonding and vice versa) of the transverse character of the wave function upon passage through the molecule.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1063/1.4764291 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
How urban proximity shapes agricultural pest dynamics: a review.
Pest Manag Sci
January 2025
Department of Plant Pathology and Weed Research, Agricultural Research Organization, Volcani Institute, Rishon LeZion, Israel.
Agricultural landscapes adjacent to human settlements are subject to unique ecological dynamics that influence pest populations, yet the complexity of these relationships remains relatively underexplored. This review synthesizes current knowledge on the impacts of urban proximity on agricultural plant pathogen pest dynamics, focusing on spatial distribution patterns, theoretical frameworks from landscape ecology, and the specific mechanisms driving these interactions. The urban heat island effect, habitat fragmentation, and human activities contribute to altered microclimates, reduced natural predator populations, and increased pest proliferation near settlements.
View Article and Find Full Text PDFPesticide dynamics and risk assessment in a plateau lake: Multiphase partitioning, drivers, and distribution in Southwestern China.
J Hazard Mater
January 2025
Yunnan Dali Research Institute of Shanghai Jiao Tong University, Dali 671000, China.
Erhai Lake, a vital drinking water source for Dali, a highland agricultural city, faces potential contamination from pesticide residues, yet limited studies have assessed their distribution and impacts. This study investigates the occurrence, transport, partitioning, and ecological risks of pesticides in the lake's dissolved phase (DP), suspended particulate matter (SPM), and sediment (SD) samples collected from 22 sites across different seasons. The results showed significant temporal variations across different media, with spatial variations driven by crop-related patterns.
View Article and Find Full Text PDFPROCERA interacts with JACKDAW in gibberellin-enhanced source-sink sucrose partitioning in tomato.
Plant Physiol
January 2025
Shaanxi Engineering Research Center for Vegetables/College of Horticulture, Northwest A&F University, Yangling, Shaanxi 712100, China.
Proper regulation of the source-sink relationship is an effective way to increase crop yield. Gibberellin (GA) is an important regulator of plant growth and development, and physiological evidence has demonstrated that GA can promote source-sink sucrose partitioning. However, the underlying molecular mechanism remains unclear.
View Article and Find Full Text PDFMolecular epidemiology, evolution, and transmission dynamics of raccoon rabies virus in Connecticut.
Virus Evol
December 2024
Institute of Bioinformatics, University of Georgia, 120 Green St., Athens, GA 30602, United States.
In North America, raccoon rabies virus (RRV) is a public health concern due to its potential for rapid spread, maintenance in wildlife, and impact on human and domesticated animal health. RRV is an endemic zoonotic pathogen throughout the eastern USA. In 1991, an outbreak of RRV in Fairfield County, Connecticut, spread through the state and eventually throughout the Northeast and into Canada.
View Article and Find Full Text PDFBackground: Patients with arrhythmogenic cardiomyopathy (ACM) due to pathogenic variants in , the gene for the desmosomal protein plakophilin-2, are being enrolled in gene therapy trials designed to replace the defective allele via adeno-associated viral (AAV) transduction of cardiac myocytes. Evidence from experimental systems and patients indicates that ventricular myocytes in ACM have greatly reduced electrical coupling at gap junctions and reduced Na current density. In previous AAV gene therapy trials, <50% of ventricular myocytes have generally been transduced.
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!