Finite-Part Integrals and Modified Splines

We first state a uniform convergence theorem for finite-part integrals which are derivatives of weighted Cauchy principal value integrals. We then give a two-stage process to modify approximating splines and optimal nodal splines in such a way that the conditions of this theorem are satisfied. Consequently, these modified splines can be used in the numerical evaluation of these finite-part integrals.     

Recherches sur la formation et la transformation des esters LXXIX [1]. Sur la réaction de l′isothiocyanate d′o-méthoxycarbonyl-phényle avec divers acides et l′acide sérinephosphorique

Amino acids devoid of «leaving groups» on their β carbon atom (neither ? OH: serine, nor ? SH: cysteine) react with o-methoxycarbonyl-phenyl isothiocyanate (I) in the presence of one equivalent of NaOH, in water-dioxane or in ethanol, to yield the corresponding hydroquinazolinone derivatives II which were isolated as free acids. When treated with CH₃COOH + conc. HCl the hydroquinazolinone resulting from the reaction of L -serine with I undergoes a nucleophilic attack of the carbon bearing the leaving group ? OH by a lone pair of electrons of S; this attack produces the formation of an additional thiazolidine ring, yielding the thiazoloquinazolinone derivative (?)-III. In an analogous reaction DL -serine phosphoric acid treated with I at pH 8–9 yields the corresponding substituted hydroquinazolinone which, boiled in 1N hydrochloric acid, undergoes ring closure to (±)-III by the same mechanism as the serine derivative (leaving group: ? OPO₃H₂). L -Cysteine reacted with 2 equiv. of I and then treated with CH₃COOH + conc. HCl gives two products: (?)-III produced by the same mechanism as for serine (leaving group: ? SH), and the quinazolinone derivative IV where the ? SH group is also thiocarbamoylated.     

Note sur la préparation et la scission de l'acide (diméthyl-3, 3-butyl)-phosphorique

3,3-Dimethylbutanol treated with polyphosphoric acid or with an equimolecular amount of POCl₃ gives rise to 3,3-dimethylbutyl phosphoric acid, isolated as baryum salt (yield 20 to 30%) or as sodium salt (yield 15%). Stable in NaOH 1N at 100°C, this monoester is split at pH 4.5 and in HCl 1N much slower than choline phosphate.     

Note sur quelques complexes entre nicéthamide (N,N-diéthyl-nicotamide) et/ou de la pémoline (phényl-5-imino-2-oxazolidone-4) et divers sels,particulièrement de sels calciques de monoesters aminoalkylphosphoriques

Note on some complexes between nikethamide and/or pemoline with various salts, especially calcium aminoalkylphosphates A number of binary and ternary complexes of nikethamide and/or pemoline with various calcium salts, particularly calcium aminoalkylphosphates, have been prepared in order to assess their pharmacological properties. The formation of such complexes has been established by IR. spectroscopy.     

Condensed matter effects on nuclear fusion rates in laboratory and astrophysical environments

Previously overlooked condensed matter effects (CME) can significantly influence nuclear fusion rates in both laboratory and astrophysical environments. In dense plasmas, the ensemble of fusing particles has a significant exchange of kinetic and potential energies. Thus, there are diminished effective flux velocities resulting in a significant selective reduction of fusion rates. Our CME predictions are testable in laboratory experiments and have broad-ranging implications on the fusion rates for stellar media in general. By calculating reaction rates forp(p, e ⁺ v _e ) D and⁷Be(p, )⁸B in the sun, we show that CME help to solve the solar neutrino problem.     

Recherches sur la formation et la transformation des esters LXXVII [1]. Etude à l'aide de H2[18O] de la scission de quelques monoesters phosphoreux et de l'acide propargyl-benzènephosphonique

(1) Monopotassium phosphite KH₂PO₃ heated at 300°C with CO[¹⁸O] exchanges one atom of oxygen after 3 hours, one to two atoms after 6 hours, and its three O atoms after 12 hours; the probable mecanism of this exchange is discussed. When the same treatment is carried out in the presence of o-phenylene diamine hydrochloride, the exchange is total (three O) after 3 hours at 300°C. Treated by this last procedure, benzenephosphonic acid C₆H₅PO(OH)₂ undergoes equally a total exchange of its O atoms in 3 hours.     

Full multinuclear resonance analysis of 4-amino-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane

The complete assignment of 19F, 1H and 13C NMR spectra for a monosubstituted octafluoro[2.2]paracyclophane derivative is described for the first time. The unambiguous assignments were achieved through the combination of 19F--1H HOESY, 1H COSY and 19F COSY techniques and then further confirmed employing a complementary approach using a Karplus-dependent 3JCF interaction. Interesting aspects of the coupling patterns for various JHH, JHF, JCF and JFF interactions are also discussed.     

Thermal transformations in phosphorites

The thermal transformations in phosphorites during flash calcination were investigated by FT-IR spectroscopy, X-ray diffraction and chemical analyses. During flash calcination changes occur, both in the composition of the phosphorite and in the crystallochemistry of the fluor-carbonate-apatite (francolite). The former changes include: decomposition of a great part of the calcite in the rock and oxidation of organic matter. The latter changes include: partial removal of the structural carbonate; partial relocation of the remaining carbonate ions in the apatite structure; a new arrangement of hydroxyl groups and fluorine on the hexagonal axis; partial condensation of the orthophosphate groups and increase of crystallite sizes. Isomorphous substitution of PO ₄ ^–3 in apatite by SO ₄ ^–2 and SiO ₄ ^–4 may take place.Dedicated to Prof. Menachem Steinberg on the occasion of his 65th birthdayThe financial support from Rotem-Amfert-Negev Phosphate Co. is gratefully acknowledged. We thank Dr. B. Pregerson of the Rotem-Amfert-Negev for supplying samples     

Modified molecular charge similarity indices for choosing molecular analogues

Toward the goal of defining a molecular charge similarity idex that best quantifies the concept of molecular similarity as it relates to biological activity, we have evaluated a variety of definitions of the molecular charge distribution function, ρ, for use in the charge similarity index formalism. Spatially distributed nuclear charges are incorporated into electron distribution functions to approximately account for the screening of core electronic charge and to model the net effect of the total charge distribution in a manner that better reflects the inherent relation to the molecular electrostatic potential. The resulting charge similarity indices are evaluated based on their sensitivity to relative molecule displacement and their ability to meaningfully group or order a simple set of molecular structures: CH₃CH₂CH₃, CH₃OCH₃, and CH₃SCH₃.