Search results for "Complete"

Urban drinking and driving:comparison of electric scooter and bicycle related accidents in facial fracture patients

2022

In recent years, electric scooters (e-scooter) have emerged as an alternative mode of urban transport due to their availability and effortless use. However, e-scooter-related trauma and injuries, especially to the head, have received wide media coverage and raised public concern about their safety. We aim to determine and compare clinically relevant variables, incidence, and severity between bicycle and e-scooter-related facial fractures and potential protective measures for injury prevention. This retrospective study comprised all patients admitted to a tertiary trauma center with bicycle or e-scooter-related facial fractures between January 2019 and October 2020. Patient- and injury-relat…

The b-chromatic number of power graphs

2003

The b-chromatic number of a graph G is defined as the maximum number k of colors that can be used to color the vertices of G, such that we obtain a proper coloring and each color i, with 1 ≤ i≤ k, has at least one representant x_i adjacent to a vertex of every color j, 1 ≤ j ≠ i ≤ k. In this paper, we discuss the b-chromatic number of some power graphs. We give the exact value of the b-chromatic number of power paths and power complete binary trees, and we bound the b-chromatic number of power cycles.

For Whom is MAI? A Theoretical Perspective on Multilateral Agreements on Investments

2001

Why do we observe some LDCs objecting the prospect of a Multilateral Agreement on Investment (MAI), although they have been keen to liberalize investment in preferential agreements in recent years? In this paper, we analyse the issue of MAI implementation and assess the welfare consequences of such kind of agreements. In our model, participation to MAI involves a trade-off between less rent extraction from multinational firms (MNEs) and more abundant FDI inflows. At equilibrium, either all countries enter MAI, or all countries stay out, or only some of them enter. Coordination problems may induce multiple equilibria: the three typesof equilibria may coexist. So, the implementation of MAI ma…

Hepatosplenic γδ T-cell lymphoma: complete response induced by treatment with pentostatin

2002

DNA nucleobase properties and photoreactivity: Modeling environmental effects

2009

Abstract The accurate ab initio quantum chemical (QM) method multiconfigurational second-order perturbation (CASSPT2)/complete active space self-consistent field (CASSCF) has been used in conjunction with molecular mechanics (MM) procedures to compute molecular properties and photoinduced reactivity of DNA/RNA nucleobases (NABs) in isolation and within a realistic environment, in which the double helix strand, the aqueous media, and the external counterions are included. It is illustrated that the use of an MM model is helpful both to account for short- and long-range effects of the system surrounding the QM molecular core and to provide the proper structural constraints that allow more acc…

Simultaneous gas chromatographic determination of aliphatic C2−C20 n-carboxylic acids and their methyl esters using SE-30 and OV-351 quartz capillary…

1983

Simultaneous determination of aliphatic C2−C20 carboxylic acids and their methyl esters was carried out using SE-30 and OV-351 quartz capillary columns with temperature programming. Complete resolution of all 36 components was achieved. On SE-30 the methyl ester and the corresponding free acid are eluted in turn, whereas on OV-351 acetic acid eluted after methyl octanoate, after which the Cn methyl ester and Cn-6 carboxylic acid (n>9) are eluted one after the other. A non-polar SE-30 column is better for long-chain acids giving sharp peaks without tailing, the analysis time of the mixture being less than 16 minutes. The weight response correction factors for compounds under optimum operatin…

Restricted and complete-active-space multiconfiguration linear response calculations of the polarizability of formamide and urea

1991

Abstract Using the polarized basis sets of Sadlej, we have carried out multiconfiguration linear response (MCLR) calculations of static and dynamic polarizabilities of water, carbon dioxide, formamide and urea. It is found that the polarized basis sets give a good description of the polarizabilities. The uncorrelates (self-consistent field) polarizabilities are in general 10% or more lower than the experimental values. The correlation as introduced in the complete-active-space (CAS) and restricted-active-space (RAS) MCLR calculations recovers the major part of this deviation.

Theoretical Study of the Elimination Kinetics of Carboxylic Acid Derivatives in the Gas Phase. Decomposition of 2-Chloropropionic Acid

1997

The reaction mechanism for the decomposition of 2-chloropropionic acid in the gas phase to form hydrogen chloride, carbon monoxide, and acetaldehyde has been theoretically characterized. Analytical gradients have been used by means of AM1 and PM3 semiempirical procedures and ab initio methods at HF and DFT (BLYP) levels with the 6-31G** basis set. The correlation effects were also included by using the perturbational approach at the MP2 level with the 6-31G** and 6-31++G** basis sets and the variational approach at the CISD/6-31G** level and by means of MCSCF wave functions with a (6,6) complete active space and the 6-31G** basis set. The global potential energy surface has been studied, an…

Cross-over study on effects of Mediterranean diet in two randomly selected population samples

2003

Abstract Two randomly selected population samples in Western Sicily, one rural (n = 40) and one urban (n = 40), were studied to evaluate the impact of dietary intervention on lipid, coagulative and fibrinolytic parameters. The two groups received the diets in a cross-over design with the following sequences: (a) baseline period; (b) 8-week dietary intervention period; (c) 8-week return to the original diet. During (a) and (c) all subjects consumed their usual diet. During the dietary intervention period (b), the rural sample consumed the urban sample's diet, while the urban sample consumed the rural sample's diet (the so-called “Mediterranean diet”). At baseline, after 8 weeks' dietary inte…

Theoretical Studies of the Electronic Spectra of Organic Molecules

1995

The complete active space (CAS) SCF method in conjunction with multiconfigurational second-order perturbation theory (CASPT2) has been used to study the electronic spectra of a large number of molecules. The wave functions and the transition properties are computed at the CASSCF level, while dynamic correlation contributions to the excitation energies are obtained through the perturbation treatment. The methods yield energies, which are accurate to at least 0.2 eV, except in a few cases, where the CASSCF reference function does not characterize the electronic state with sufficient accuracy. The applications comprise: the polyenes from ethene to octatetraene (cis- and trans-forms); a number …