Orthogonal Linear Combinations of Gaussian Type Orbitals

The set of Gaussian Type Orbitals g(n1,n2,n3) of order (n+1)(n+2)/2, of common n=n1+n2+n3<=7, common center and exponential, is customized to define a set of 2n+1 linear combinations t(n,m) (-n<=m<=n) such that each t(n,m) depends on the azimuthal and polar angle of the spherical coordinate system like the real or imaginary part of the associated Spherical Harmonic. (Results cover both Hermite and Cartesian Gaussian Type Orbitals.) Overlap, kinetic energy and Coulomb energy matrix elements are presented for generalized basis functions of the type r^s*t(n,m) (s=0,2,4,...). In addition, normalization integrals int |g(n1,n2,n3)|d^3r are calculated up to n=7 and normalization integrals int |r^s*t(n,m)|d^3r up to n=5.Comment: 13 pages, no figures, REVTeX4. Corrected eqs. (23) and (C4

Non-perturbative QCD amplitudes in quenched and eikonal approximations

Even though approximated, strong coupling non-perturbative QCD amplitudes remain very difficult to obtain. In this article, in eikonal and quenched approximations, physical insights are presented that rely on the newly-discovered property of Effective Locality.Comment: Revised version (28 pages and 1 figure in REVTeX). Follow-up work of Eur. Phys. J. C65, pp. 395-411 (2010), (arXiv:1204.2038 [hep-ph]), and Ann. Phys. 327, pp. 2666-2690 (2012), (arXiv:1203.6137 [hep-ph]

Differentiation of the Wright functions with respect to parameters and other results

In this survey we discuss derivatives of the Wright functions (of the first and the second kind) with respect to parameters. Differentiation of these functions leads to infinite power series with coefficient being quotients of the digamma (psi) and gamma functions. Only in few cases it is possible to obtain the sums of these series in a closed form. Functional form of the power series resembles those derived for the Mittag-Leffler functions. If the Wright functions are treated as the generalized Bessel functions, differentiation operations can be expressed in terms of the Bessel functions and their derivatives with respect to the order. It is demonstrated that in many cases it is possible to derive the explicit form of the Mittag-Leffler functions by performing simple operations with the Laplace transforms of the Wright functions. The Laplace transform pairs of the both kinds of the Wright functions are discussed for particular values of the parameters. Some transform pairs serve to obtain functional limits by applying the shifted Dirac delta function.Comment: 20 pages, 4 figure

Differentiation of integral Mittag-Leffler and integral Wright functions with respect to parameters

CRUE-CSIC agreement; Springer Natur

Platinum Complexes with a Phosphino-Oxime/Oximate Ligand

The platinum(II) complex [PtCl2(COD)] (2; COD = 1,5- cyclooctadiene) reacted with 1 and 2 equiv. of 2-(diphenylphosphanyl) benzaldehyde oxime (1) to generate [PtCl2{¿2-(P,N)-2- Ph2PC6H4CH=NOH}] (3) and [Pt{¿2-(P,N)-2-Ph2PC6H4CH=NOH}2]- [Cl]2 (4), respectively. Deprotonation of the oxime hydroxyl group of 3 with Na2CO3 led to the selective formation of the dinuclear species (¿-O)-[PtCl{¿2-(P,N)-2-Ph2PC6H4CH=NO}]2 (5), while the related methylated derivative (¿-O)-[PtMe{¿2-(P,N)-2- Ph2PC6H4CH=NO}]2 (7) could be obtained from the direct reaction of [PtMe2(COD)] (6) with the phosphino-oxime ligand 1. In the case of 4, its treatment with Na2CO3 yielded complex [Pt({¿2-(P,N)-2-Ph2PC6H4CH=NO}2H)][Cl] (8), as a result of the deprotonation of only one of the OH groups of 4. On the other hand, contrary to what was observed with 6, no deprotonation of the oxime occurred in the reaction of [PtMe3I]4 (9) with 1, from which the mononuclear PtIV derivative fac-[PtIMe3{¿2-(P,N)- 2-Ph2PC6H4CH=NOH}] (10) was isolated. The solid-state structures of compounds 3, 4, 7 and 10 were determined by X-ray crystallography. In addition, the potential of all the synthesized complexes as catalysts for the dehydrogenative coupling of hydrosilanes with alcohols is also briefly discussed.Peer Reviewe

Frånluftstemperaturreglering av flerfamiljshus

Denna internrapport innehåller underlagen i form av appendix tillhörande examensarbete med samma titel (TFRT-5205)

Dissolution Enhancement and Formulation of Rapid-Release Lornoxicam Mini-Tablets

The aim was to enhance the dissolution of lornoxicam (LOR) and to produce mini-tablets with an optimised system to provide a rapid-release multi-particulate formulation. LOR systems were prepared through co-evaporation with either polyethylene glycol 6000 or Pluronic® F-68 (PLU) and adsorption onto Neusilin® US2 alone or co-adsorption in the presence of different amounts of polysorbate 80. All systems were characterised by FT-IR, differential scanning calorimetry, X-ray diffraction, flowability and dissolution techniques. Mini-tablets were prepared using the system with the optimum dissolution profile and flowability. Tensile strengths, content uniformity and dissolution profiles of the mini-tablets were evaluated. The effects of different excipients and storage conditions on mini-tablet properties were also studied. The optimised rapid-release LOR mini-tablets were further evaluated for their in vivo pharmacokinetic profile. The co-evaporate of LOR with PLU showed significantly faster dissolution and superior flowability and was evaluated together with three directly compressible excipients (Cellactose® 80, StarLac® (STA) and Emcompress®) for mini-tablet formulation. The formulation with STA provided the optimum results in terms of tensile strength content uniformity and rapid drug release following a 3-month stability study and was selected for further in vivo evaluation. The pharmacokinetic profile indicated the potential of the mini-tablets achieving rapid release and increased absorption of LO

Absorption of Soluble Gases by Atmospheric Nanoaerosols

We investigate mass transfer during absorption of atmospheric trace soluble gases by a single droplet whose size is comparable to the molecular mean free path in air at normal conditions. It is assumed that the trace reactant diffuses to the droplet surface and then reacts with the substances inside the droplet according to the first order rate law. Our analysis applies a flux-matching theory of transport processes in gases and assumes constant thermophysical properties of the gases and liquids. We derive an integral equation of Volterra type for the transient molecular flux density to a liquid droplet and solve it numerically. Numerical calculations are performed for absorption of sulfur dioxide (SO2), dinitrogen trioxide (N2O3) and chlorine (Cl2) by liquid nanoaerosols accompanied by chemical dissociation reaction. It is shown that during gas absorption by nanoaerosols the kinetic effects play significant role, and neglecting kinetic effects leads to significant overestimation of the soluble gas flux into a droplet during all the period of gas absorption.Comment: 9 pages, 9 figure

Measurement and correlation of the solubility of telmisartan (form A) in nine different solvents from 277.85 to 338.35 K

The solubility of telmisartan (form A) in nine organic solvents (chloroform, dichloromethane, ethanol, toluene, benzene, 2-propanol, ethyl acetate, methanol and acetone) was determined by a laser monitoring technique at temperatures from 277.85 to 338.35 K. The solubility of telmisartan (form A) in all of the nine solvents increased with temperature as did the rates at which the solubility increased except in chloroform and dichloromethane. The mole fraction solubility in chloroform is higher than that in dichloromethane, which are both one order of magnitude higher than those in the other seven solvents at the experimental temperatures. The solubility data were correlated with the modified Apelblat equation and λh equations. The results show that the λh equation is in better agreement with the experimental data than the Apelblat equation. The relative root mean square deviations (σ) of the λh equation are in the range from 0.004 to 0.45 %. The dissolution enthalpies, entropies and Gibbs energies of telmisartan in these solvents were estimated by the Van’t Hoff equation and the Gibbs equation. The melting point and the fusion enthalpy of telmisartan were determined by differential scanning calorimetry