Search results for "ICO"
showing 10 items of 30544 documents
Exotic SiO(2)H(2) Isomers: Theory and Experiment Working in Harmony.
2016
Replacing carbon with silicon can result in dramatic and unanticipated changes in isomeric stability, as the well-studied CO2H2 and the essentially unknown SiO2H2 systems illustrate. Guided by coupled-cluster calculations, three SiO2H2 isomers have been detected and spectroscopically characterized in a molecular beam discharge source using rotational spectroscopy. The cis,trans conformer of dihydroxysilylene HOSiOH, the ground-state isomer, and the high-energy, metastable dioxasilirane c-H2SiO2 are abundantly produced in a dilute SiH4/O2 electrical discharge, enabling precise structural determinations of both by a combination of isotopic measurements and calculated vibrational corrections. …
Synthesis of an Acceptor–Donor–Acceptor Multichromophore Consisting of Terrylene and Perylene Diimides for Multistep Energy Transfer Studies
2016
Motivated by the results obtained from the investigation of singlet–singlet annihilation in a linear multichromophore comprising terrylene diimides (TDI) and perylene diimide (PDI) in 2010, we report the detailed process toward the successful synthesis of a TDI–PDI–TDI dyad. Ineffective synthetic pathways, which were necessary for the understanding of the step-by-step construction of the complex multichromophore, are described, leading toward a universal synthetic plan for multicomponent systems containing rylene diimides separated by rigid oligophenylene spacers.
Halide-Mediated Modification of Magnetism and Electronic Structure of α-Co(II) Hydroxides: Synthesis, Characterization, and DFT+U Simulations.
2019
The present study introduces a comprehensive exploration in terms of physicochemical characterization and calculations based on density functional theory with Hubbard's correction (DFT+U) of the whole family of α-Co(II) hydroxyhalide (F, Cl, Br, I). These samples were synthesized at room temperature by employing a one-pot approach based on the epoxide route. A thorough characterization (powder X-ray diffraction, X-ray photoelectron spectroscopy, thermogravimetric analysis/mass spectroscopy, and magnetic and conductivity measurements) corroborated by simulation is presented that analyzes the structural, magnetic, and electronic aspects. Beyond the inherent tendency of intercalated anions to …
Substitution of the laser borane anti-B18H22 with pyridine: a structural and photophysical study of some unusually structured macropolyhedral boron h…
2018
Reaction of anti-B18H221 with pyridine in neutral solvents gives sparingly soluble B16H18-3',8'-Py23a as the major product (ca. 53%) and B18H20-6',9'-Py22 (ca. 15%) as the minor product, with small quantities of B18H20-8'-Py 4 (ca. 1%) also being formed. The three new compounds 2, 3a and 4 are characterized by single-crystal X-ray diffraction analyses and by multinuclear multiple-resonance NMR spectroscopy. Compound 2 is of ten-vertex nido:ten-vertex arachno two-atoms-in-common architecture, long postulated for a species with borons-only cluster constitution, but previously elusive. Compound 3a is of unprecedented ten-vertex nido:eight-vertex arachno two-atoms-in-common architecture. The si…
Diabetes and renin-angiotensin-aldosterone system: Implications for covid-19 patients with diabetes treatment management
2020
In the context of the COVID-19 continuous spreading, this paper focuses on the increased risk of diabetic patients regarding the metabolic control and the uncertainties related to SARS-CoV-2 infection. Chronic hyperglycaemia negatively affects the immune system, which triggers an increase of morbidity and mortality for viral infections. A key aspect of COVID-19 resides in the involvement of renin-angiotensin-aldosterone (RAAS) system that causes a cascade of reactions mediated by vasoactive peptides with implications in vasoconstriction, vascular permeability, oxidative stress remodelling and tissue injuries. Activation of RAAS at pulmonary level, is responsible for the local damage. Many q…
Reactions in the presence of irradiated semiconductors: Are they simply photocatalytic?
2018
A generally accepted classification distinguishes semiconductor photocatalysis in type A and type B. The first class comprehends reactions where the primary redox products (radical anions and cations) further evolve giving rise to the final reduced and oxidized species. Type B reactions occur when the primary redox products undergo intermolecular bond formation to addition products. Recently, some photocatalytic reactions have been reported wherein the photocatalytically produced compounds are not the final products. In fact, they react in the solution bulk or catalytically on the surface of the semiconductor with other species thus producing the target compounds. These reactions, hereby re…
Determination and Toxicology Studies of Quaternary Ammonium Salts in Solution after Organoclay Processing
2018
Organoclays have potential to be used as additives in various facade paints and other finishing materials. Such new innovative materials must be rigorously tested for them to have no impact on environment. Focus of this study was to develop HPLC – TOF/MS method for determining quaternary ammonium salts in various material washing solutions and to determine organoclay toxicity by performing acute toxicity test on Daphnia magna. From the obtained results, it was possible to conclude that organoclays can be safely used as additives in various materials with low or no impact on environment. We determined that organoclays are significantly less toxic then some quaternary ammonium salts on its ow…
Dimensionless Stage-Discharge Relationship for a Non-Linear Water Reservoir: Theory and Experiments
2020
In the field of hydrology, stage&ndash
Flow resistance equation for rills
2017
In this paper, a new flow resistance equation for rill flow was deduced applying dimensional analysis and self‐similarity theory. At first, the incomplete self‐similarity hypothesis was used for establishing the flow velocity distribution whose integration gives the theoretical expression of the Darcy–Weisbach friction factor. Then the deduced theoretical resistance equation was tested by some measurements of flow velocity, water depth, cross section area, wetted perimeter, and bed slope carried out in 106 reaches of some rills shaped on an experimental plot. A relationship between the velocity profile, the channel slope, and the flow Froude number was also established. The analysis showed …
Discussion of "Analysis of extreme rainfall trends in sicily for the evaluation of depth-duration-frequency curves in climate change scenarios" by Lo…
2016
In the original paper, the Authors investigated the presence of trends in extreme rainfall depths of duration d = 1, 3, 6, 12 and 24 hours, in Sicily. Trend analysis was performed by using the Mann-Kendal non-parametric test, which was applied at-site, for a number of 65 raingauges well distributed in the region, for the period 1950-2008. In order to overcome the gap of missing data, six years moving average series were considered in the Author’s analysis. In this discussion, the discussers highlighted some important observations about the paper presented by the Authors: i) The Authors applied the non-parametric Mann Kendall test to moving average series of rainfall data. The use of moving …