Raman Activities of Cyano-Ester Quinoidal Oligothiophenes Reveal Their Diradical Character and the Proximity of the Low-Lying Double Exciton State

Quinoidal oligothiophenes have received considerable attention as interesting platforms with remarkable amphoteric redox behavior associated with their diradical character increasing with the conjugation lengths. In this work, we considered a family of quinoidal oligothiophenes bearing cyano-ester terminal groups and characterized them by UV-Vis-NIR absorption and Raman spectroscopy measurements at different excitation wavelengths. The experimental investigation is complemented by quantum-chemical studies to assess the quality of computed density functional theory (DFT) ground state structures and their influence on predicted Raman intensities. In addition, resonance conditions with the optically active HOMO→LUMO transition as well as with the more elusive state dominated by the doubly excited HOMO,HOMO→LUMO,LUMO configuration, are determined with DFT-MRCI calculations and their contributions to Raman activity enhancement are discussed in terms of computed vibrational Huang–Rhys (HR) factorsWe thank MINECO/FEDER of the Spanish Government (project reference PGC2018-098533-B-100) and the Junta de Andalucía, Spain (UMA18FEDERJA057). Partial funding for open access charge: Universidad de Málag

COVID-19 teleassistance and teleconsultation: a matched case-control study (MIRATO project, Lombardy, Italy)

BackgroundDuring the COVID-19 pandemic, telemedicine has been recognised as a powerful modality to shorten the length of hospital stay and to free up beds for the sicker patients. Lombardy, and in particular the areas of Bergamo, Brescia, and Milan, was one of the regions in Europe most hit by the COVID-19 pandemic. The primary aim of the MIRATO project was to compare the incidence of severe events (hospital readmissions and mortality) in the first three months after discharge between COVID-19 patients followed by a Home-Based Teleassistance and Teleconsultation (HBTT group) program and those discharged home without Telemedicine support (non-HBTT group).MethodsThe study was designed as a matched case-control study. The non-HBTT patients were matched with the HBTT patients for sex, age, presence of COVID-19 pneumonia and number of comorbidities. After discharge, the HBTT group underwent a telecare nursing and specialist teleconsultation program at home for three months, including monitoring of vital signs and symptoms. Further, in this group we analysed clinical data, patients' satisfaction with the program, and quality of life.ResultsFour hundred twenty-two patients per group were identified for comparison. The median age in both groups was 70 ± 11 years (62% males). One or more comorbidities were present in 86% of the HBTT patients and 89% in the non-HBTT group (p = ns). The total number of severe events was 17 (14 hospitalizations and 3 deaths) in the HBTT group and 40 (26 hospitalizations and 16 deaths) in the non-HBTT group (p = 0.0007). The risk of hospital readmission or death after hospital discharge was significantly lower in HBTT patients (Log-rank Test p = 0.0002). In the HBTT group, during the 3-month follow-up, 5,355 teleassistance contacts (13 ± 4 per patient) were performed. The number of patients with one or more symptoms declined significantly: from 338 (78%) to 183 (45%) (p < 0.00001). Both the physical (ΔPCS12: 5.9 ± 11.4) component and the mental (ΔMCS12: 4.4 ± 12.7) component of SF-12 improved significantly (p < 0.0001). Patient satisfaction with the program was very high in all participants.ConclusionsCompared to usual care, an HBTT program can reduce severe events (hospital admissions/mortality) at 3-months from discharge and improve symptoms and quality of life.Clinical trial registrationwww.ClinicalTrials.gov, NCT04898179

Feasibility and cost-effectiveness of a multidisciplinary home-telehealth intervention programme to reduce falls among elderly discharged from hospital: study protocol for a randomized controlled trial

Fall incidents are the third cause of chronic disablement in elderly according to the World Health Organization (WHO). Recent meta-analyses shows that a multifactorial falls risk assessment and management programmes are effective in all older population studied. However, the application of these programmes may not be the same in all National health care setting and, consequently, needs to be evaluated by cost-effectiveness studies before to plan this intervention in regular care. In Italy structured collaboration between hospital staff and primary care is generally lacking and the role of Information and Communication Technologies (ICT) in a fall prevention programme at home has never been explored

A Fresh Look at a Well-Known Solid: Structure, Vibrational Spectra, and Formation Energy of NaNH2

Funding Information: Funding from the Erasmus+ Cooperation Partnerships programme─VISUENERGY project (2021-1-FI01-KA220-HED-000023408)─is gratefully acknowledged. Authors acknowledge support from the Project CH4.0 under the MUR program “Dipartimenti di Eccellenza 2023-2027” (CUP: D13C22003520001). Publisher Copyright: © 2023 The Authors. Published by American Chemical Society.Sodium amide (NaNH2) in its α form is a common compound that has recently seen renewed interest, mainly for its potential use as a solid-state hydrogen storage material. In this work, we present a synergic theoretical and experimental characterization of the compound, including novel measured and simulated vibrational spectra (IR and Raman) and X-ray diffraction patterns. We put forward the hypothesis of a low-temperature symmetry breaking of the structure to space group C2/c, while space group Fddd is commonly reported in the literature and experimentally found down to 80 K. Additionally, we report a theoretical estimate of the heat of formation of sodium amide from ammonia to be equal to -12.2 kcal/mol at ambient conditions.Peer reviewe

Feasibility and cost-effectiveness of a multidisciplinary home-telehealth intervention programme to reduce falls among elderly discharged from hospital: study protocol for a randomized controlled trial

Fall incidents are the third cause of chronic disablement in elderly according to the World Health Organization (WHO). Recent meta-analyses shows that a multifactorial falls risk assessment and management programmes are effective in all older population studied. However, the application of these programmes may not be the same in all National health care setting and, consequently, needs to be evaluated by cost-effectiveness studies before to plan this intervention in regular care. In Italy structured collaboration between hospital staff and primary care is generally lacking and the role of Information and Communication Technologies (ICT) in a fall prevention programme at home has never been explored

DC Shielding Properties of Coaxial MgB2/Fe Cups

We investigated the efficiency in magnetic field mitigation of superimposed MgB2/Fe coaxial cups with cylindrical symmetry, subjected to an applied magnetic field parallel to their axis. The MgB2 cup was grown by a microwave-assisted Mg-liquid infiltration technique in a boron preform. This technique allows obtaining samples with a reduced amount of unreacted magnesium, shape chosen before the growth procedure and easily scalable sizes. Local magnetic induction measurements were carried out by means of a cryogenic Hall probe mounted on a custom-designed stage moveable along the sample axis with micrometric resolution. The measurements were performed at 20 K and 30 K, in magnetic field up to 1.5 T, as a function of the external source field, of the position and of time. At higher magnetic fields the superposition of the Fe cup on the MgB2 one allows obtaining a shielding efficiency 3-4 times higher than that measured with the single superconducting cup. The magnetic induction relaxation rate is also strongly reduced. On the contrary, a decrease of the shielding efficiency of the hybrid system with respect to the MgB2 cup alone turns out at low magnetic field. Numerical simulations indicate a reduction of this worsening by a protrusion of the superconducting cup above the ferromagnetic one