Results 41 to 50 of about 10,690,430 (278)

Nrp2 is sufficient to instruct circuit formation of mitral-cells to mediate odour-induced attractive social responses

Nature Communications, 2017
Neuropilin 2 (Nrp2) is expressed by a subset of mitral cells in the postero-ventral olfactory bulb in mice. Here the authors show that Nrp2 is sufficient to instruct mitral cell targeting to the anterior part of medial amygdala that modulates olfactory ...
Kasumi Inokuchi, Fumiaki Imamura, Haruki Takeuchi, Ryang Kim, Hiroyuki Okuno, Hirofumi Nishizumi, Haruhiko Bito, Takefumi Kikusui, Hitoshi Sakano   +8 more
doaj   +1 more source

Inter-cluster reactivity of Metallo-aromatic and anti-aromatic Compounds and Their Applications in Molecular Electronics: A Theoretical Investigation

, 2005
Local reactivity descriptors such as the condensed local softness and Fukui function have been employed to investigate the inter-cluster reactivity of the metallo-aromatic (Al4Li- and Al4Na-) and anti-aromatic (Al4Li4 and Al4Na4) compounds.
Aromaticity, Chako S., Chandra A. K., Chen Z., Curioni A., Curioni A., Datta A., De Proft F., De Proft F., For, Fowler P. W., Fowler P. W., Geerlings P., Haskal E. I., Havenith R. W. A., Hohenberg K., Kido J., Krishnamurty S., Kumar V., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Kuznetsov A. E., Li X., Li X., Lowdin P. O., Lowdin P. O., Mendez F., Nembach E., Nguyen L. T., Parr R. G., Parr R. G., Parr R. G., Parr R. G., Parr R. G., Pearson R. G., Pearson R. G., Pearson R. G., Perdew J. P., Ritter S. K., Roy R. K., Schmidt M. W., Shetty S., Shetty S., Tang J. X., Yang W., Yang W., Zhai H. J., Zhai H. J., Zhang Y.   +52 more
core   +1 more source

Semiconductor quantum tubes: dielectric modulation and excitonic response [PDF]

, 2010
We study theoretically the optical properties of quantum tubes, one-dimensional semiconductor nanostructures where electrons and holes are confined to a cylindrical shell.
Goldoni, Guido, Kammerlander, David, Troiani, Filippo   +2 more
core   +2 more sources

Investigation of Antiviral Activities of Nickel and Copper Complexes with Macrocyclic Ligands against Crimean-Congo Hemorrhagic Fever by In Silico Calculations

Cumhuriyet Science Journal, 2023
For the first time, electronic characteristics of potential drug candidates and their inhibitory activities have been linked thanks to this work. Synthesized copper and nickel complexes with trans-N1,N8-bis(2-cyanoethyl)-2,4,4,9,11,11-hexamethyl-1,5,8,12-
Niyazi Bulut, Duran Karakaş, Sultan Erkan   +2 more
doaj   +1 more source

Vibrational Spectroscopy, Quantum Computational and Molecular Docking Studies on 2-[(1H-Benzimidazol-1-yl)-methyl]benzoic Acid

Crystals, 2022
Experimental and theoretical investigations on the optimized geometrical structure, electronic and vibrational features of 2-[(1H-benzimidazol-1-yl)-methyl]benzoic acid are provided using the B3LYP/6-311++G(d,p) basis set.
Ghazala Khanum, Arif Ali, Sadiya Shabbir, Aysha Fatima, Norah Alsaiari, Yasmeen Fatima, Musheer Ahmad, Nazia Siddiqui, Saleem Javed, Mayank Gupta   +9 more
doaj   +1 more source

The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character [PDF]

Physical Chemistry Chemical Physics, 2011
The Fukui matrix is introduced as the derivative of the one-electron reduced density matrix with respect to a change in the number of electrons under constant external potential. The Fukui matrix extends the Fukui function concept: the diagonal of the Fukui matrix is the Fukui function.
Bultinck, Patrick, Clarisse, Dorien, Ayers, Paul W, Carbo-Dorca Carre, Ramon   +3 more
openaire   +3 more sources

Endogenous opioids in the olfactory tubercle and their roles in olfaction and quality of life

Frontiers in Neural Circuits
Olfactory dysfunctions decrease daily quality of life (QOL) in part by reducing the pleasure of eating. Olfaction plays an essential role in flavor sensation and palatability.
Koshi Murata, Koshi Murata, Ayako Maegawa, Ayako Maegawa, Ayako Maegawa, Yoshimasa Imoto, Yoshimasa Imoto, Shigeharu Fujieda, Yugo Fukazawa, Yugo Fukazawa   +9 more
doaj   +1 more source

A new approach to local hardness

, 2011
The applicability of the local hardness as defined by the derivative of the chemical potential with respect to the electron density is undermined by an essential ambiguity arising from this definition. Further, the local quantity defined in this way does
Ayers, Ayers, Ayers, Ayers, Becke, Becke, Berkowitz, Borgoo, Broadus, Cedillo, Chattaraj, Chattaraj, Chattaraj, Chermette, Clarke, De Proft, De Proft, F. De Proft, Frisch, Fuentealba, Galván, Garza, Geerlings, Geerlings, Ghanty, Ghosh, Ghosh, Gál, Gál, Gál, Gál, Gál, Gál, Gál, Gál, Gázquez, Harbola, Hehre, Koenig, Langenaeker, Lee, Levedev, Liu, Liu, M. Torrent-Sucarrat, Melin, Meneses, Meneses, Mignon, Mignon, Mulliken, Nagy, Nagy, Olasz, Ozen, P. Geerlings, Parr, Parr, Parr, Parr, Pearson, Pearson, Pearson, Pearson, Perdew, Roy, Saha, Saha, Saha, Sanderson, Slater, T. Gál, Thomas, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Uline, Uline, Vargas, Yang, Zhou   +85 more
core   +1 more source

The nature and role of the gold-krypton interactions in small neutral gold clusters [PDF]

, 2015
© 2015 American Chemical Society. We investigate the nature and role of krypton embedding in small neutral gold clusters. For some of these clusters, we observe a particular site-dependent character of the Kr binding that does not completely follow the ...
Benoit, David M., Mancera, Luis A.
core   +1 more source

Negative Fukui functions: New insights based on electronegativity equalization [PDF]

The Journal of Chemical Physics, 2003
Fukui functions have been calculated for large numbers of organic molecules, and were found to always be positive. Numeric and algebraic considerations allowed the identification of several boundary conditions for negative values for Fukui functions. Negative Fukui functions are found to be very unlikely, except when very short interatomic distances ...
Bultinck, Patrick, Carbó-Dorca, Ramon, Langenaeker, Wilfried   +2 more
openaire   +2 more sources