Search results for "MOLECULE"
showing 10 items of 5162 documents
Mass spectrometry for the study of protein-ligand interactions and supramolecular complexes: Application to an intrinsically disordered protein
2015
International audience
How to predict the odor profile of wine from its chemical composition? In silico modelling using experts' knowledge, fuzzy logic and optimization
2017
International audience
Fluorescent pseudomonad injectisomes and manipulation of plant defenses : biocontrol versus pathogenic rhizosphere agents
2015
International audience
Kondrat'eva ligation: Diels-Alder-based irreversible reaction for bioconjugation.
2014
International audience; Diversification of existing chemoselective ligations is required to efficiently access complex and well-defined biomolecular assemblies with unique and valuable properties. The development and bioconjugation applications of a novel Diels-Alder-based irreversible site-specific ligation are reported. The strategy is based on a Kondrat'eva cycloaddition between bioinert and readily functionalizable 5-alkoxyoxazoles and maleimides that readily react together under mild and easily tunable reaction conditions to afford a fully stable pyridine scaffold. The potential of this novel bioconjugation is demonstrated through the preparation of fluorescent conjugates of biomolecul…
Isotope Shifts of Radium Monofluoride Molecules
2021
Isotope shifts of $^{223-226,228}$Ra$^{19}$F were measured for different vibrational levels in the electronic transition $A^{2}{}{\Pi}_{1/2}\leftarrow X^{2}{}{\Sigma}^{+}$. The observed isotope shifts demonstrate the particularly high sensitivity of radium monofluoride to nuclear size effects, offering a stringent test of models describing the electronic density within the radium nucleus. Ab initio quantum chemical calculations are in excellent agreement with experimental observations. These results highlight some of the unique opportunities that short-lived molecules could offer in nuclear structure and in fundamental symmetry studies.
High-resolution infrared spectroscopy and analysis of the v2=v4 bending dyad and v3 stretching fundamental of ruthenium tetroxide
2017
International audience; RuO4 is a heavy tetrahedral molecule which has practical uses for several industrial fields. Due to its chemicaltoxicity and the radiological impact of its 103 and 106 isotopologues, the possible remote sensing of this compound in theatmosphere has renewed interest in its spectroscopic properties. We investigate here for the first time at high resolutionthe bending dyad region in the far IR and the line intensities in the 3 stretching region. Firstly, new high resolutionFTIR spectra of the bending modes region in the far infrared have been recorded at room temperature, using a speciallyconstructed cell and an isotopically pure sample of 102RuO4. New assignments and e…
A Hirshfeld partitioning of polarizabilities of water clusters
2006
International audience; A new Hirshfeld partitioning of cluster polarizability into intrinsic polarizabilities and charge delocalization contributions is presented. For water clusters, density-functional theory calculations demonstrate that the total polarizability of a water molecule in a cluster depends upon the number and type of hydrogen bonds the molecule makes with its neighbors. The intrinsic contribution to the molecular polarizability is transferable between water molecules displaying the same H-bond scheme in clusters of different sizes, and geometries, while the charge delocalization contribution also depends on the cluster size. These results could be used to improve the existin…
Theoretical principles of near-field optical microscopies and spectroscopies
2000
International audience; This paper deals with the principles of detection of optical signals near a surface in a manner permitting the mapping of the distribution of the fields close to various kinds of illuminated samples. We begin with a discussion of the main physical properties of the optical fields near a surface in the absence of any probe tip. This mainly concerns phenomena involving evanescent waves for which the local decay lengths are governed not only by the sizes but also by the intrinsic properties of the surface structures. The interpretation of the detection process is reviewed on the basis of a discussion about the possibility of establishing direct comparisons between exper…
Snapshot imaging of postpulse transient molecular alignment revivals
2008
Laser induced field-free alignment of linear molecules is investigated by using a single-shot spatial imaging technique. The measurements are achieved by femtosecond time-resolved optical polarigraphy (FTOP). Individual alignment revivals recorded at high resolution in ${\text{CO}}_{2}$, as well as simultaneous observation of several alignment revivals produced within the rotational period of the ${\text{O}}_{2}$ molecule are reported. The data are analyzed with a theoretical model describing the alignment experienced by each molecule standing within the interaction region observed by the detector. The temporal dynamics, intensity dependence, and degree of alignment are measured and compare…
Scaling laws for inelastic collision processes in diatomic molecules
1991
International audience