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

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. Diagonalizing the Fukui matrix gives a set of eigenvectors, the Fukui orbitals, and accompanying eigenvalues. At the level of theory used, there is always one dominant eigenvector, with an eigenvalue equal to 1. The remaining eigenvalues are either zero or come in pairs with eigenvalues of the same magnitude but opposite sign. Analysis of the frontier molecular orbital coefficient in the eigenvector with eigenvalue 1 gives information on the quality of the frontier molecular orbital picture. The occurrence of negative Fukui functions can be easily interpreted in terms of the nodal character of the dominant eigenvector versus the characteristics of the remaining eigenvectors and eigenvalues

Etude de l'influence des conditions interfaciales sur le développement du noyau lors du soudage par résistance par point

National audienceSee http://hal.archives-ouvertes.fr/docs/00/59/29/59/ANNEX/r_1280325L.pd

Terahertz Nondestructive Testing with Ultra-Wideband FMCW Radar

This paper presents the development, performance, integration, and implementation of a 150 GHz FMCW radar based on a homodyne harmonic mixing scheme for noncontact, nondestructive testing. This system offers high-dynamic-range measurement capabilities up to 100 dB and measurement rates up to 7.62 kHz. Such interesting characteristics make this system attractive for imaging applications or contactless sensing. Numerous samples of different materials and geometries were imaged by taking advantage of the radar’s performance. By taking into account the nonionizing capability of the system, new applicative fields such as food industry and pharmaceutical packaging were explored

Evaluation of alternative solvents for improvement of oil extraction from rapeseeds

This present study was designed to evaluate the performances of five alternative solvents (alcohols: ethanol, isopropanol and terpenes:ρ-limonene, α-pinene, p-cymene) compared to η-hexane in rapeseed oil extraction. The extracted oils were quantitatively and qualitatively analyzed to compare the solvents’ performances in terms of kinetics, fatty acid compositions, lipid yields, and classes. Moreover, micronutrients in extracted oils were also respectively quantified by high-performance liquid chromatography (HPLC) and gas chromatography (GC). In addition, the interactions between alternative solvents and rapeseed oil have been theoretically studied with the Hansen solubility methodology to get a better comprehension of dissolving mechanisms. The results indicated that pcymene could be the most promising solvent for n-hexane substitution with higher lipid yield and good selectivity, despite the micronutrient contents were relatively low

Impact of opioid-free analgesia on pain severity and patient satisfaction after discharge from surgery: multispecialty, prospective cohort study in 25 countries

Background: Balancing opioid stewardship and the need for adequate analgesia following discharge after surgery is challenging. This study aimed to compare the outcomes for patients discharged with opioid versus opioid-free analgesia after common surgical procedures.Methods: This international, multicentre, prospective cohort study collected data from patients undergoing common acute and elective general surgical, urological, gynaecological, and orthopaedic procedures. The primary outcomes were patient-reported time in severe pain measured on a numerical analogue scale from 0 to 100% and patient-reported satisfaction with pain relief during the first week following discharge. Data were collected by in-hospital chart review and patient telephone interview 1 week after discharge.Results: The study recruited 4273 patients from 144 centres in 25 countries; 1311 patients (30.7%) were prescribed opioid analgesia at discharge. Patients reported being in severe pain for 10 (i.q.r. 1-30)% of the first week after discharge and rated satisfaction with analgesia as 90 (i.q.r. 80-100) of 100. After adjustment for confounders, opioid analgesia on discharge was independently associated with increased pain severity (risk ratio 1.52, 95% c.i. 1.31 to 1.76; P < 0.001) and re-presentation to healthcare providers owing to side-effects of medication (OR 2.38, 95% c.i. 1.36 to 4.17; P = 0.004), but not with satisfaction with analgesia (beta coefficient 0.92, 95% c.i. -1.52 to 3.36; P = 0.468) compared with opioid-free analgesia. Although opioid prescribing varied greatly between high-income and low- and middle-income countries, patient-reported outcomes did not.Conclusion: Opioid analgesia prescription on surgical discharge is associated with a higher risk of re-presentation owing to side-effects of medication and increased patient-reported pain, but not with changes in patient-reported satisfaction. Opioid-free discharge analgesia should be adopted routinely

Approche du traitement antithrombotique de la fibrillation auriculaire en médecine générale (à propos de 30 dossiers)

TOURS-BU Médecine (372612103) / SudocPARIS-BIUM (751062103) / SudocSudocFranceF