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6 results on '"Ferré, Nicola"'

1. GIS Applications to Support Entry-Exit Inspection and Quarantine Activities

Author

Ferrè, Nicola, Songyin, Qiu, Mazzucato, Matteo, Ponzoni, Andrea, Mulatti, Paolo, Morini, Matteo, Fan, Ji, Xiaofei, Liu, Shulong, Dou, Xiangmei, Lin, Marangon, Stefano, Hutchison, David, Series editor, Kanade, Takeo, Series editor, Kittler, Josef, Series editor, Kleinberg, Jon M., Series editor, Mattern, Friedemann, Series editor, Mitchell, John C., Series editor, Naor, Moni, Series editor, Pandu Rangan, C., Series editor, Steffen, Bernhard, Series editor, Terzopoulos, Demetri, Series editor, Tygar, Doug, Series editor, Weikum, Gerhard, Series editor, Gervasi, Osvaldo, editor, Murgante, Beniamino, editor, Misra, Sanjay, editor, Rocha, Ana Maria A.C., editor, Torre, Carmelo M., editor, Taniar, David, editor, Apduhan, Bernady O., editor, Stankova, Elena, editor, and Wang, Shangguang, editor

Published
2016
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4. Spatial and temporal explorative analysis of sarcoptic mange in Alpine chamois (Rupicapra r. rupicapra)

Author

Turchetto, Sara, Obber, Federica, Permunian, Roberto, Vendrami, Stefano, Lorenzetto, Monica, Ferré, Nicola, Stancampiano, Laura, Rossi, Luca, Citterio, Carlo Vittorio, Sara Turchetto, Federica Obber, Roberto Permunian, Stefano Vendrami, Monica Lorenzetto, Nicola Ferrè, Laura Stancampiano, Luca Rossi, Carlo Vittorio Citterio, and Italian Ministry of Health – RC IZSVe 14/07, Provincia di Belluno

Subjects
ECTOPARASITES, Sarcoptes, chamois, mange, epidemiology, EPIDEMIOLOGY, ALPINE CHAMOIS, SARCOPTIC MANGE, WILDLIFE, SARCOPTES SCABIEI
Abstract

The sarcoptic mange epizootic affecting chamois in the Dolomites Alps since 1995 has risen considerable concern in a management and conservation perspective, due to its strong impact on chamois and ibex populations. A remarkable amount of data has been collected by different wildlife research and management institutions, in order to analyze mange patterns and develop possible strategies to control the disease. The present study is aimed at providing a population-related figure of the spatial and temporal dynamics of clinical sarcoptic mange in alpine chamois, proposing an approach in which relevant basic concepts and parameters, as the definition of the epidemic front and its spreading speed, can be estimated and framed. The epidemic front was referred to the different mountain massifs, corresponding to well established management units of the chamois in the study area; moreover, the mange-related mortality peak at the massif level was used (in substitution of the index case/s) for temporal analysis of the disease spreading. Two speeds of the front have been estimated: a first raw average speed of about 3.38 km/year, and a second refined speed of 4.64 ± 3.12 km/year, more consistent to the variability in the field. The time series analysis showed that the impact of mange increases over the late winter months, reaching a peak in early spring.Our results strengthen the conclusions of previous studies, proposing a new frame to include other studies in progress on the alpine chamois-Sarcoptes interactions.Download the complete issue.

Published
2014

5. Sub-picosecond C$=$C bond photo-isomerization: evidence for the role of excited state mixing

Author

Agathangelou, Damianos, Roy, Partha Pratim, del Carmen Marín, María, Ferré, Nicolas, Olivucci, Massimo, Buckup, Tiago, Léonard, Jérémie, and Haacke, Stefan

Subjects
Photo-isomerisation, Retinal proteins, Chromophore–protein coupling, Non-adiabatic dynamics, Photo-sensory proteins, Charge transfer state, Physics, QC1-999
Abstract

Sub-picosecond photo-isomerization is the major primary process of energy conversion in retinal proteins and has as such been in the focus of extensive theoretical and experimental work over the past decades. In this review article, we revisit the long-standing question as to how the protein tunes the isomerization speed and quantum yield. We focus on our recent contributions to this field, which underscore the concept of a delicate mixing of reactive and non-reactive excited states, as a result of steric properties and electrostatic interactions with the protein environment. Further avenues and new approaches are outlined which hold promise for advancing our understanding of these intimately coupled chromophore–protein systems.

Published
2021
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6. Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

Author

Liviu Ungur, Felix Plasser, Artur Nenov, Michael Stenrup, Mickaël G. Delcey, Laura Gagliardi, Giovanni Li Manni, Thomas Bondo Pedersen, Luis Manuel Frutos, Thomas Müller, Felipe Zapata, Donald G. Truhlar, Jochen Autschbach, Luca De Vico, Valera Veryazov, Francesco Aquilante, Liviu F. Chibotaru, Ivan Rivalta, Chad E. Hoyer, Dongxia Ma, Marco Garavelli, Massimo Olivucci, Ben Pritchard, Ignacio Fdez. Galván, Roland Lindh, Victor P. Vysotskiy, Oliver Weingart, Alessio Valentini, Per-Åke Malmqvist, Rebecca K. Carlson, Angelo Giussani, Nicolas Ferré, Igor Schapiro, Javier Segarra-Martí, Markus Reiher, Daoling Peng, Steven Vancoillie, Hans Lischka, Department of Chemistry [Buffalo], University at Buffalo [SUNY] (SUNY Buffalo), State University of New York (SUNY)-State University of New York (SUNY), Universidade Federal de Santa Catarina = Federal University of Santa Catarina [Florianópolis] (UFSC), Institute for Nanoscale Physics and Chemistry (INPAC), Université Catholique de Louvain = Catholic University of Louvain (UCL), Department of Chemistry-Angstrom, the Theoretical Chemistry Programme, Uppsala University, Institut de Chimie Radicalaire (ICR), Aix Marseille Université (AMU)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Department of Chemistry, Supercomputing Institute, and Chemical Theory Center, University of Minnesota [Twin Cities] (UMN), University of Minnesota System-University of Minnesota System, Production,Landscape,Agroenergy, Università degli Studi di Milano = University of Milan (UNIMI), China Agricultural University (CAU), Institute for theoretical Chemistry, University of Vienna [Vienna], Division of Theoretical Chemistry, Raymond and Beverly Sackler Faculty of Exact Sciences [Tel Aviv] (TAU), Tel Aviv University (TAU), Alma Mater Studiorum Università di Bologna [Bologna] (UNIBO), Dipartimento di Chimica, Università degli Studi di Siena = University of Siena (UNISI), Aalborg University [Denmark] (AAU), Laboratorium für Physikalische Chemie (ETH-LPC), Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich] (ETH Zürich), Laboratoire de Chimie - UMR5182 (LC), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), University of Minnesota System, Division of Quantum and Chemistry, Catholic University of Leuven - Katholieke Universiteit Leuven (KU Leuven), Vitrociset S.p.a., University of Milan, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University [Tel Aviv], Dipartimento di Chimica, 'G.Ciamician' Università di Bologna, Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École normale supérieure - Lyon (ENS Lyon)-Institut de Chimie du CNRS (INC), Aquilante, Francesco, Autschbach, Jochen, Carlson, Rebecca K., Chibotaru, Liviu F., Delcey, Mickaël G., De Vico, Luca, Ignacio, Fdez. Galván, Ferré, Nicola, Frutos, Luis Manuel, Gagliardi, Laura, Garavelli, Marco, Giussani, Angelo, Hoyer, Chad E., Li Manni, Giovanni, Lischka, Han, Ma, Dongxia, Malmqvist, Per Åke, Müller, Thoma, Nenov, Artur, Olivucci, Massimo, Pedersen, Thomas Bondo, Peng, Daoling, Plasser, Felix, Pritchard, Ben, Reiher, Marku, Rivalta, Ivan, Schapiro, Igor, Segarra-Martí, Javier, Stenrup, Michael, Truhlar, Donald G., Ungur, Liviu, Valentini, Alessio, Vancoillie, Steven, Veryazov, Valera, Vysotskiy, Victor P., Weingart, Oliver, Zapata, Felipe, and Lindh, Roland

Subjects
gradients, Macrocyclic Compounds, Computation, Surface hopping, Electrons, Molecular Dynamics Simulation, electron correlation, 010402 general chemistry, 01 natural sciences, Atomic orbital, parallelization, 0103 physical sciences, Teoretisk kemi, Linear scale, Statistical physics, Complete active space, Wave function, Theoretical Chemistry, Physics, 010304 chemical physics, molecular dynamic, Chemistry (all), Multireference configuration interaction, General Chemistry, molecular dynamics, 0104 chemical sciences, Computational physics, gradient, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Computational Mathematics, relativistic, Quantum Theory, Thermodynamics, Density functional theory, Algorithms, Software, Thymidine
Abstract

In this report, we summarize and describe the recent unique updates and additions to the Molcas quantum chemistry program suite as contained in release version 8. These updates include natural and spin orbitals for studies of magnetic properties, local and linear scaling methods for the Douglas-Kroll-Hess transformation, the generalized active space concept in MCSCF methods, a combination of multiconfigurational wave functions with density functional theory in the MC-PDFT method, additional methods for computation of magnetic properties, methods for diabatization, analytical gradients of state average complete active space SCF in association with density fitting, methods for constrained fragment optimization, large-scale parallel multireference configuration interaction including analytic gradients via the interface to the Columbus package, and approximations of the CASPT2 method to be used for computations of large systems. In addition, the report includes the description of a computational machinery for nonlinear optical spectroscopy through an interface to the QM/MM package Cobramm. Further, a module to run molecular dynamics simulations is added, two surface hopping algorithms are included to enable nonadiabatic calculations, and the DQ method for diabatization is added. Finally, we report on the subject of improvements with respects to alternative file options and parallelization. QC 20210506

Published
2016
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