Investigating color additive molecules for pharmaceutical and cosmetic applications: A comparison of theoretical and experimental UV-visible absorbance spectra in tunable solvents

Color additive molecules have widespread applications ranging from ingestible foods and pharmaceutics to non-ingestible cosmetics and other naturally or synthetically developed consumer products available worldwide. Certification for approved use of color additives varies globally; therefore, a feasible method to analyze existing color additives or to design novel color additive molecules with enhanced or otherwise desired physicochemical properties (such as hue) is in high demand for universal adoption. The studies herein provide sufficient proof that density functional theory and time-dependent density functional theory serve as effective predictive modeling techniques for generating theoretical maximum absorbance spectral peak responsivity for a single color additive molecule structure in the virtual workspace, as well as for multiple (heterodimeric and heterotrimeric) structures represented simultaneously. Furthermore, DFT and TD-DFT can be used to analyze changes in hue attributed to structural anomalies in molecules due to tautomerism, vibronic effects, intra- or intermolecular interactions, implicit or explicit solvation effects, or charge transfer effects on the structure represented in a given solvent or in vapor phase. Advancements in computational processing make incorporation of these and similar advanced ab initio quantum chemical methods more tangible for the modern pharmaceutical or cosmetic formulator to use in perfecting batch hue

The Position of a King in Safavid Period

This article studies the position of the kings in the period of Safvid of Iranian Islamic History. The king in this period was considered as a holy figure. Indeed the king was considered and deemed as a great person encouraging a lot of respects. He was considered as the surrogate of prophet. Therefore he had a lot of unlimited powers and authorities. He was the symbol of excellence and raised the respect of anybody in the society. Since the Safavid dynasty itself was a religious one, based on the teaching of the twelve imams, it was important that the king be a religious person too. He is an emblem of God’s bounty among humanity, he is the inauguration and termination for generosity among all human beings

L’art et la science

Lorsque Louis XIV confia en 1684 la Vénus d'Arles au sculpteur François Girardon afin de lui rendre ses bras en plus de la « dernière beauté », il pensait s'adresser à la personne la plus compétente. C'est que, depuis Léonard de Vinci, l'artiste est en même temps un savant. Mais il faut attendre la fin du xviiie siècle pour assister au développement d'une science analytique vraiment autonome, et la nomenclature des éléments chimiques de Lavoisier remet définitivement en cause cette pseudoscie..

Les bronzes de l’Âge du Fer en France et dans les pays voisins

Les récentes découvertes dont il a été question au cours de ce colloque, favorisées par un intérêt nouveau porté aux études de paléométallurgie, l’exploitation des analyses statistiques, radiographiques, spectrographiques ou chimiques et métallographiques, autorisent à poser en terme général les problèmes des bronzes de l’Age du Fer en France et dans les pays voisins (viiie-ie s. av. J.-C.). Des fonctions limitées Si l’on veut définir la production des bronzes de l’Age du Fer, on peut commenc..

Avant-Propos

Mohen Jean-Pierre. Avant-Propos. In: Bulletin de la Société préhistorique française, tome 90, n°1, 1993. p. 1

Idoles mégalithiques

Enormous decorated standing stones were broken around 4000 BC in Brittany and reused in building of megalithgraves. What is the meaning of the king of re-use ?D'énormes pierres dressées ont été brisées vers 4000 avant J.-C. en Bretagne et réutilisées dans la construction de tombes mégalithiques. Quelle est la signification de cette réutilisation ?Mohen Jean-Pierre. Idoles mégalithiques. In: Revue des Études Anciennes. Tome 95, 1993, n°1-2. Hommage à Jean Marcadé. pp. 5-10