Search results for " approach"
showing 10 items of 1632 documents
An ab initio potential energy surface for the C2H2-N2 system
2012
International audience; An ab initio potential energy surface determined at the CCSD(T) level of theory is presented for the van der Waals complex C2H2-N2. Additional calculations performed with the HF- and DFT-SAPT methods compare well with the CCSD(T) results and allow a better understanding of the main features of this interaction potential surface. An expansion of this surface over spherical harmonics has also been performed. The global energy minimum of the complex is obtained for the linear conformation. The T conformations are the least attractive. Such characteristics mainly arise because of the variation, in sign and in absolute value of the electrostatic energy between all these c…
Impact biopsychosocial de la charge des aidants : pourquoi faut-il porter une attention spécifique envers la santé des aidants ?
2018
There are 11 million family caregivers in France and some estimates indicate that there will be 17 million in 2020. Caregiving is a source of chronic stress that requires adaptation and coping strategies. Caregiving may benefit the health of a caregiver with a positive coping style and altruistic goals. However, the caregiver's burden is frequently associated with negative effects in terms of biopsychosocial imbalance and medical conditions, with frequent anxiety and depression. The management of the caregiving burden starts with the recognition of health professionals - caregivers may benefit from consultation-liaison psychiatry and multidisciplinary medico-social strategies, in addition t…
Evaluation of training in guideline-oriented biopsychosocial management of low back pain in occupational health services:Protocol of a cluster random…
2021
Background To prevent low back pain (LBP) from developing into a prolonged disabling condition, clinical guidelines advocate early stage assessment, risk‐screening, and tailored interventions. Occupational health services recommend guideline‐oriented biopsychosocial screening and individualized assessment and management. However, it is not known whether training a limited number of health care professionals improves the management process. The primary objective of this study is to investigate whether training in the biopsychosocial practice model is effective in reducing disability. Furthermore, we aim to evaluate health‐economic impacts of the training intervention in comparison to usual m…
Bitcoin e rivoluzione digitale internazionale. Note a margine di una sentenza della United States District Court of Columbia.
2021
This Note is about the recent recognition, by the United District Court of Columbia, of bitcoin as 'money'. The Note offers a brief insight of the decision and some reflections on the actual international digital revolution and the current threats/opportunities related to it.
The Approach Behavior to Angry Words in Athletes—A Pilot Study
2019
An increasing number of studies have found that athletes have a higher level of aggression than non-athletes. Anger is an important factor in the generation of aggressive behavior, and anger has been found to relate to both approach behavior and avoidance behavior. The present pilot study compared the aggression level of athletes and non-athletes using the Buss-Perry Aggression Questionnaire, and examined the responses of participants to anger-related stimuli using the manikin task, a paradigm that measures approach-avoidance behavior. In total, 15 athletes and 15 non-athletes finished the questionnaire and the manikin task, which included two conditions. In the anger approach condition, pa…
Classification of European bog vegetation of the Oxycocco-Sphagnetea class
2022
Aims: Classification of European bog vegetation (Oxycocco-Sphagnetea class); identification of diagnostic species for the class and vegetation subgroups (orders and alliances); development of an expert system for automatic classification of vegetation plots; and production of distribution maps of the Oxycocco-Sphagnetea class and its alliances. Location: Europe. Methods: A data set of vegetation-plot records was compiled to include various bog types over most of the European continent. An unsupervised classification (beta-flexible linkage method, Sørensen distance measure) and detrended correspondence analysis (DCA) ordination were applied. Formal definitions of syntaxa based on species pre…
The Relevance of Systemic Approaches in Business Sciences
2015
Our times are characterized by intense changes in the viable logics of markets and, generally speaking, of business systems. Business scenarios today are typified by connectivity, dynamism, nonlinearity, and emergent behaviors - in other words by “complexity” (Dominici, 2012). Reductionist models are unable to completely depict, or to allow us to totally understand the new business scenarios. Today, more than ever, it is necessary to recognize the need for a paradigm shift that can carry science beyond the analytical reductionist approach, and towards a more comprehensive systemic perspective. Systems thinking can be critical to unlock new perspectives and enhance holistic views for a bette…
Experimental and DFT studies on competitive heterocyclic rearrangements. part 2: A one-atom side-chain versus the classic three-atom side-chain (Boul…
2007
The experimental investigation of the base-catalyzed rearrangements of 3-acylamino-1,2,4-oxadiazoles evidenced a new reaction pathway which competes with the well-known ring-degenerate Boulton- Katritzky rearrangement (BKR). The new reaction consists of a one-atom side-chain rearrangement that is base-activated, occurs at a higher temperature than the BKR, and irreversibly leads to the corresponding 2-acylamino-1,3,4-oxadiazoles. An extensive DFT study is reported to elucidate the proposed reaction mechanism and to compare the three possible inherent routes: (i) the reversible three-atom side-chain ring-degenerate BKR, (ii) the ring contraction-ring expansion route (RCRE), and (iii) the one…
A Definitive Pharmacophore Modelling Study on CDK2 ATP Pocket Binders: Tracing the Path of New Virtual High-Throughput Screenings
2020
Cyclin Dependent Kinases-2 (CDK2) are members of serine/threonine protein kinases family. They play an important role in the regulation events of the eukaryotic cell division cycle, especially during the G1 to S phase transition. Experimental evidence indicate that excessive expression of CDK2s should cause abnormal cell cycle regulation. Therefore, since a long time, CDK2s have been considered potential therapeutic targets for cancer therapy. In this work, onehundred and forty-nine complexes of inhibitors bound in the CDK2-ATP pocket were submitted to short MD simulations (10ns) and free energy calculation. Comparison with experimental data (K<sub>i</sub>, K<sub>d</su…
Cachexia: a therapeutic approach beyond cytokine antagonism
2002
Cachexia is seen in a number of chronic diseases, and it is always associated with a poor prognosis. Irrespective of etiology, the development of cachexia appears to share a common pathophysiological pathway. This includes induction of proteasome-dependent myofibril-degradation, which is thought to be secondary to stimulation by enhanced levels of pro-inflammatory cytokines. Elevation of tumor necrosis factor-alpha (TNFalpha) and other plasma cytokines has been demonstrated in many conditions associated with cachexia. Despite improved pathophysiological understanding, a specific treatment for cachexia has not yet been established. Whilst direct TNFalpha antagonism has therapeutic appeal, th…