Recent decades have brought significant changes to the protein structure research field [...].
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| http://dx.doi.org/10.3390/ijms23073685 | DOI Listing |
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Exceptional Field Effect and Negative Differential Conductance in Spiro-Conjugated Single-Molecule Junctions.
J Am Chem Soc
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Beijing National Laboratory for Molecular Sciences, National Biomedical Imaging Center, College of Chemistry and Molecular Engineering, Peking University, 292 Chengfu Road, Haidian District, Beijing 100871, P. R. China.
The advancement of molecular electronics endeavors to build miniaturized electronic devices using molecules as the key building blocks by harnessing their internal structures and electronic orbitals. To date, linear planar conjugated or cross-conjugated molecules have been extensively employed in the fabrication of single-molecule devices, benefiting from their good conductivity and compatibility with electrode architectures. However, the development of multifunctional single-molecule devices, particularly those with unique charge transport properties, necessitates a more rigorous selection of molecular materials.
View Article and Find Full Text PDFOptimizing non-fullerene acceptor molecules constituting fluorene core for enhanced performance in organic solar cells: a theoretical methodology.
J Mol Model
September 2024
Laboratoire de Recherche: Synthèse asymétrique et ingénierie moléculaires des matériaux nouveaux pour l'électroniques Organiques (LR18ES19), Faculté des Sciences de Monastir, Université de Monastir-Tunisie, Monastir, Tunisia.
Context: Looking for novel outstanding performance materials suitable for organic solar cells, we constructed a range of non-fullerene acceptors (NFAs) evolved from the recently synthesized acceptor molecule identified as DICTIF, structured around fluorene core where 2-(2,3-dihydro-3-oxo-1H-inden-1-ylidene) propanedinitrile presented the terminals end-groups. Employing density functional theory (DFT) and time dependent-DFT (TD-DFT) simulations, we have simulated the impact of altering the end groups of DICTIF molecule by five assorted acceptors molecules, for the purpose of exploring their opto-electronic properties and their performance in organic solar cell (OSC) applications. We proved that the designed non-fullerene acceptors provide enhanced efficiency compared to the synthesized molecule, such as planar geometries and narrower energy gap ranging from 1.
View Article and Find Full Text PDFThe genetic characterization of grapevines prospected in old Serbian vineyards reveals multiple relationships between traditional varieties of the Balkans.
Front Plant Sci
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Departamento de Viticultura, Instituto de Ciencias de la Vid y del Vino [ICVV, CSIC-Gobierno de La Rioja-Universidad de La Rioja (CSIC-CAR-UR)], Logroño, Spain.
Serbia preserves a high number of local grape varieties, which have been cultivated across the country for centuries. Now, these ancient varieties are in the spotlight, and there is a global trend towards their recovery and characterization because they can revitalize regional, national and international grape and wine sectors. In addition, their genetic study can be useful to find new pedigree relationships to reveal how local varietal assortment evolved over time.
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Cancer Centre, Faculty of Health Sciences, University of Macau, Avenida da Universidade, Taipa, Macau SAR.
Cancer is a significant global health concern associated with multiple distinct factors, including microbial and viral infections. Numerous studies have elucidated the role of microorganisms, such as Helicobacter pylori (H. pylori), as well as viruses for example human papillomavirus (HPV), hepatitis B virus (HBV), and hepatitis C virus (HCV), in the development of human malignancies.
View Article and Find Full Text PDFAge-related differences in affective behaviors in mice: possible role of prefrontal cortical-hippocampal functional connectivity and metabolomic profiles.
Front Aging Neurosci
March 2024
Department of Biochemistry and Molecular Biology, University of Florida College of Medicine, Gainesville, FL, United States.
Introduction: The differential expression of emotional reactivity from early to late adulthood may involve maturation of prefrontal cortical responses to negative valence stimuli. In mice, age-related changes in affective behaviors have been reported, but the functional neural circuitry warrants further investigation.
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