Hybrid Quantum and Classical Mechanical Monte Carlo Simulations of the Interaction of Hydrogen Chloride with Solid Water Clusters

Monte Carlo simulations using a hybrid quantum and classical mechanical potential were performed for crystal and amorphous-like HCl-water(n) clusters The subsystem composed by HCl and one water molecule was treated within Density Functional Theory, and a classical force field was used for the rest of the system. Simulations performed at 200 K suggest that the energetic feasibility of HCl dissociation strongly depends on its initial placement within the cluster. An important degree of ionization occurs only if HCl is incorporated into the surface. We observe that local melting does not play a crucial role in the ionization process.Comment: 14 Latex pages with 4 postscript figures, to appear in Chem. Phys. Let

Efficient Thiophene Synthesis Mediated by 1,3‐Bis(carboxymethyl)imidazolium Chloride: C‐C and C‐S Bond Formation

Thiophene derivatives have been prepared by means of a functionalized imidazolium salt [1,3‐bis(carboxymethyl)imidazolium chloride] acting as a catalyst. The heterogeneous catalyst has allowed to carry out the reactions with no solvent or inert atmosphere. Different aryl methyl ketones have reacted with elemental sulfur to selective produce 2,4‐substituted thiophenes. Furthermore, the reaction of sulfur with cyclic ketones has enabled the preparation of polycyclic compounds. This protocol is simple and effective for preparing thiophene derivatives, even in a preparative scale. The thiophene synthesis described presents remarkable sustainability with an E‐factor of 7.4, the solvent‐free conditions being crucial for this feature. The catalyst is straightforwardly prepared, and it is easily separated from the reaction mixture, making its reuse possible.This work was financially supported by the University of Alicante (VIGROB-173, VIGROB-285, VIGROB-316FI and UAUSTI19-21), the Spanish Ministerio de Economía y Competitividad (CTQ2015-66624-P, CTQ2017-88171-P), the Spanish Ministerio de Ciencia, Innovación y Universidades (PGC2018-096616-B-I00) and the Generalitat Valenciana (AICO/2017/007). P. G. thanks the ISO (University of Alicante) for a grant

Task shifting in maternal and newborn care: a non-inferiority study examining delegation of antenatal counseling to lay nurse aides supported by job aids in Benin

<p>Abstract</p> <p>Background</p> <p>Shifting the role of counseling to less skilled workers may improve efficiency and coverage of health services, but evidence is needed on the impact of substitution on quality of care. This research explored the influence of delegating maternal and newborn counseling responsibilities to clinic-based lay nurse aides on the quality of counseling provided as part of a task shifting initiative to expand their role.</p> <p>Methods</p> <p>Nurse-midwives and lay nurse aides in seven public maternities were trained to use job aids to improve counseling in maternal and newborn care. Quality of counseling and maternal knowledge were assessed using direct observation of antenatal consultations and patient exit interviews. Both provider types were interviewed to examine perceptions regarding the task shift. To compare provider performance levels, non-inferiority analyses were conducted where non-inferiority was demonstrated if the lower confidence limit of the performance difference did not exceed a margin of 10 percentage points.</p> <p>Results</p> <p>Mean percent of recommended messages provided by lay nurse aides was non-inferior to counseling by nurse-midwives in adjusted analyses for birth preparedness (β = -0.0, 95% CI: -9.0, 9.1), danger sign recognition (β = 4.7, 95% CI: -5.1, 14.6), and clean delivery (β = 1.4, 95% CI: -9.4, 12.3). Lay nurse aides demonstrated superior performance for communication on general prenatal care (β = 15.7, 95% CI: 7.0, 24.4), although non-inferiority was not achieved for newborn care counseling (β = -7.3, 95% CI: -23.1, 8.4). The proportion of women with correct knowledge was significantly higher among those counseled by lay nurse aides as compared to nurse-midwives in general prenatal care (β = 23.8, 95% CI: 15.7, 32.0), birth preparedness (β = 12.7, 95% CI: 5.2, 20.1), and danger sign recognition (β = 8.6, 95% CI: 3.3, 13.9). Both cadres had positive opinions regarding task shifting, although several preferred 'task sharing' over full delegation.</p> <p>Conclusions</p> <p>Lay nurse aides can provide effective antenatal counseling in maternal and newborn care in facility-based settings, provided they receive adequate training and support. Efforts are needed to improve management of human resources to ensure that effective mechanisms for regulating and financing task shifting are sustained.</p

pengajaran yang efektif

ix.178hal.;15.5x24c

Pengajaran yang efektif: pedoman bagi pembina kesehatan, Ed. 2/ Abbat

viii, 178 hal: ill; 24 c

Pengajaran yang efektif: pedoman bagi pembina kesehatan, Ed. 2/ Abbat

viii, 178 hal: ill; 24 c

Pengajaran yang efektif: pedoman bagi pembina kesehatan, Ed. 2/ Abbat

viii, 178 hal: ill; 24 c