Emmanuel de Saint Aubert

The Stereoselective Self-Assembly of Chiral Metallo-Organic Cryptophanes: The Stereoselective Self-Assembly of Chiral Metallo-Organic Cryptophanes

The authors have noticed that the labels of proton and carbon atoms had been omitted in the structure of the anti enantiomer represented on the right side of Scheme 1 of the original article.[1] The contrast of the back parts of the molecules has been enhanced. The corrected version of this scheme is shown below. In addition, the angle values of 105.01° (page 837, column 2, line 4) and 105.5° (page 838, column 2, line 11) should be changed to 54.4° and 53.6°, respectively. These errors do not have any impact on the conclusions of the work.

Structure property relationships in halogenated aromatic amides and imides

The effect of halogens (X) and pyridine N atom substitution patterns on molecular structure and conformation is analyzed and discussed herein. Several series of 3 x 3 isomer grids (Scheme 1; Figs 1-3) of halo-N-(pyridyl)benzamides (Xxx) (C12H9N2OX, x = para-/meta-/ortho-) and their corresponding imides (Fig. 4) have been evaluated and correlated in terms of their structural relationships.

Investigation of topological and electrostatic properties of anti-inflammatory drug aceclofenac

In the present work, the crystallization of the potent anti-inflammatory drug Aceclofenac has been done using slow evaporation technique and the structure has been re-determined at 105.01(10)K. An experimental electron density distribution of Aceclofenac has been accomplished along with the periodic theoretical calculations which were performed at the B3LYP/6-31G** level of theory. In order to visualize and quantify the intermolecular interactions, the Hirshfeld surface analysis and enrichment ratio calculations have been carried out and further the finger print provides the details of various contributions of the contacts for the crystal packing. The experimental and theoretical multipole electron density distribution analysis has been carried out to examine the bonding details, concentration/depletion of charges and the topological properties of the Aceclofenac molecule. Global Reactivity descriptors calculation has been executed to understand the molecule’s nature of reactivity and site selectivity. Comparison of experimental as well as theoretical charges yields better information of the charge distribution in the molecule. The K and L sub-shells of Cl atoms and the lone pairs of the N atoms can be visualized through the electron localization function. The sigma hole of Cl atom has been traced out. The electrostatic potential helps to identify the sites of electrophilic and nucleophilic regions where the molecular interactions likely to happen. On the whole this study provides a clear description of the structural, topological and electrostatic and reactivity properties of the drug Aceclofenac in a detailed manner which further will be useful in the design of new potential drugs with improved efficiency and reduced side effects. [1] Jelsch.C et al. (2005). J.Applied Cryst. 38, 38-54. [2] Z. Su & P. Coppens, (1997). Acta Cryst.A53, 749-762. [3] Jelsch.C et al. (2014). IUCrJ, 1, 119-128.

Merleau-Ponty face à Husserl et Heidegger : illusions et rééquilibrages

Il a longtemps ete habituel, en France plus qu’ailleurs, de presenter Merleau-Ponty comme un philosophe avant tout impregne de l’œuvre de Husserl et de Heidegger, tracant sa voie dans son rapport aux deux geants de la phenomenologie allemande. La relecture de l’œuvre du philosophe francais a la lumiere de ses nombreux inedits conduit a relativiser cette representation commune, en identifiant les illusions d’optique qui la soutenaient et les directions essentielles des reequilibrages a operer. Les recherches recentes dessinent ainsi progressivement la carte des influences, philosophiques ou non, mais aussi des oppositions, qui ont soutenu l’emergence et l’evolution continue de l’intention philosophique de Merleau-Ponty, dont les interlocuteurs imaginaires principaux ont de bout en bout ete Sartre et Descartes. Cet environnement effectif transforme tres souvent son rapport a Husserl et a Heidegger en un rapport indirect et brouille, voire critique et expeditif – tout particulierement a l’egard de Heidegger, que Merleau-Ponty a en realite lu tres tard. Il nous faut davantage prendre la mesure du contexte intellectuel francais qui etait celui d’un homme occupe par les debats de son temps, decouvrir l’importance de nombre de sources allemandes et anglaises encore peu etudiees, et mieux comprendre a quel point la pensee de Merleau-Ponty entretenait un rapport etroit constant avec divers champs non-philosophiques, notamment la Gestalttheorie, la psychologie du developpement et la psychanalyse. Un rapport jusqu’au bout essentiel a la formation du concept central de cette philosophie, la chair – non substituable au Leib husserlien –, comme a l’elaboration de l’ontologie que cette meme conception cherchait a delivrer – dont l’analogie avec l’entreprise heideggerienne reste formelle ou metaphorique.