Search results for " formula"
showing 10 items of 629 documents
A remark on differentiable functions with partial derivatives in Lp
2004
AbstractWe consider a definition of p,δ-variation for real functions of several variables which gives information on the differentiability almost everywhere and the absolute integrability of its partial derivatives on a measurable set. This definition of p,δ-variation extends the definition of n-variation of Malý and the definition of p-variation of Bongiorno. We conclude with a result of change of variables based on coarea formula.
Path integral solution for non-linear system enforced by Poisson White Noise
2008
Abstract In this paper the response in terms of probability density function of non-linear systems under Poisson White Noise is considered. The problem is handled via path integral (PI) solution that may be considered as a step-by-step solution technique in terms of probability density function. First the extension of the PI to the case of Poisson White Noise is derived, then it is shown that at the limit when the time step becomes an infinitesimal quantity the Kolmogorov–Feller (K–F) equation is fully restored enforcing the validity of the approximations made in obtaining the conditional probability appearing in the Chapman Kolmogorov equation (starting point of the PI). Spectral counterpa…
Nuclear quantum effects in liquid water from path-integral simulations using anab initioforce-matching approach
2014
We have applied path integral simulations, in combination with new ab initio based water potentials, to investigate nuclear quantum effects in liquid water. Because direct ab initio path integral simulations are computationally expensive, a flexible water model is parameterized by force-matching to density functional theory-based molecular dynamics simulations. The resulting effective potentials provide an inexpensive replacement for direct ab inito molecular dynamics simulations and allow efficient simulation of nuclear quantum effects. Static and dynamic properties of liquid water at ambient conditions are presented and the role of nuclear quantum effects, exchange-correlation functionals…
Three simultaneous dissolution profiles on a solid pharmaceutical formulation by a FIA manifold provided with a single spectrophotometric detector.
2003
This article deals with the simultaneous determination of three dissolution profiles in the same pharmaceutical formulation. The officially proposed procedure from the pharmacopoeias is adapted to the FIA methodology to obtain the officially recommended profile or "global profile", and two "individual" profiles, corresponding to dissolution rate of two different active principles present in the formulation; both drugs have overlapped UV-vis spectra. The simultaneous determination of several profiles is based on the derivative spectra and the zero crossing mathematical procedure for the "individual" profiles of an active principle; the "global" profile of the formulation is obtained from the…
Full configuration interaction calculation of BeH adiabatic states.
2008
An all-electron full configuration interaction (FCI) calculation of the adiabatic potential energy curves of some of the lower states of BeH molecule is presented. A moderately large ANO basis set of atomic natural orbitals (ANO) augmented with Rydberg functions has been used in order to describe the valence and Rydberg states and their interactions. The Rydberg set of ANOs has been placed on the Be at all bond distances. So, the basis set can be described as 4s3p2d1f3s2p1d(BeH)+4s4p2d(Be). The dipole moments of several states and transition dipole strengths from the ground state are also reported as a function of the R(Be-H) distance. The position and the number of states involved in sever…
A theoretical study of the electronic spectrum of styrene
1999
Abstract The electronic spectrum of styrene has been studied by using multiconfigurational second-order perturbation theory (CASPT2). The study includes geometry optimization of the ground state, the lowest triplet state, and the lowest singlet excited state. The covalent 2 1 A ′ state placed vertically at 4.34 eV is assigned to the first band. The 1 1 A ′→3 1 A ′ transition located at 4.97 eV is responsible for the second band. The most intense feature involves the 5 1 A ′ state, which is calculated to lie 6.19 eV above the ground state. The lowest singlet–singlet Rydberg transition (3s) is predicted to occur at 5.85 eV.
Vibrational analysis of the electronic spectrum of ethylene based onab initio SCF-CI calculations
1972
Ab initio calculations for CH2 twisting and CC stretching vibrational wavefunctions and energy levels are reported for various electronic states of ethylene C2H4. Electronic transition moments between these states are also obtained to allow a calculation of the oscillator strengths for vibrational transitions involved in various electronic band systems; from this study it is concluded that thevertical electronic energy differenceΔE e may differ significantly from the energy of the absorption maximumΔE max with which it is often equated. In particular it is found in the case of theπ→π * singlet-singlet excitation of ethylene that theΔE e value overestimates the most probable vibrational tran…
Calcium dialysability as an estimation of bioavailability in human milk, cow milk and infant formulas
1999
Abstract The calcium dialysability of human milk, cow milk and infant formulas is estimated by applying the in vitro method (Miller, Schricker, Rasmussen, & Van Campen, (1981). American Journal of Clinical Nutrition, 34, 2248–2256) slightly modified, as a measure of its bioavailability. The influence of the protein composition of infant formula samples on calcium bioavailability is also studied. Whole cow milk, a pool of human milk and 18 commercial infant formulas of 6 different types are analysed. The highest values of calcium dialysability (mg Ca/100 ml infant formula) correspond to premature (13.6) and follow-up formulas (11.8) and the lowest ones to adapted formulas (3.7); the latter v…
Ketogenic diet as antiepileptic therapy: Administration and formulas
2017
In 1921 Wilder defined classical cholesterol diet providing the patient with a daily calorie intake of less than 20% compared to age-related requirements. The main macronutrient is represented by saturated and long chain unsaturated fatty acids, in the ratio of 4: 1 to carbohydrates and proteins (4 grams of lipids per gram of carbohydrates and proteins). One of the first therapeutic protocols proposed is that of John Hopkins that the onset of the diet should take place in a hospital environment to assess the patient's response in a controlled situation.
Review: Determination of Vitamin D in Dairy Products by High Performance Liquid Chromatography
2005
This work reviews the methods used for the determination of vitamin D in some dairy products (milk and infant formulas) by high performance liquid chromatography (HPLC). The low vitamin D contents and the presence of interfering compounds require sample treatment and purification of the extract. The advantages and drawbacks of hot and cold saponification, direct extraction and different types of extract purification are also discussed, taking into account the lack of vitamin D stability by heating, exposure to light and oxidation. With respect to chromatographic determination, the mode (normal or reverse phase), type of column (microcolumn or conventional) and detection system (UV, electro…