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Vibrational signature of charge solvation vs salt bridge isomers of sodiated amino acids in the gas phase
C Kapota, J Lemaire, P Maître… - Journal of the American …, 2004 - ACS Publications
The vibrational spectra of the gaseous sodium complexes of glycine (Gly− Na+) and proline
(Pro− Na+) have been recorded in the spectral range 1150− 2000 cm-1. The complexes …
(Pro− Na+) have been recorded in the spectral range 1150− 2000 cm-1. The complexes …
FiD: a software for ab initio structural identification of product ions from tandem mass spectrometric data
Abstract We present FiD (Fragment iDentificator), a software tool for the structural
identification of product ions produced with tandem mass spectrometric measurement of low …
identification of product ions produced with tandem mass spectrometric measurement of low …
Silver ion binding energies of amino acids: use of theory to assess the validity of experimental silver ion basicities obtained from the kinetic method
The complexes of silver ion, Ag+, with the twenty naturally occurring amino acids have been
calculated using hybrid density functional theory at the B3LYP/DZVP level. For all of these …
calculated using hybrid density functional theory at the B3LYP/DZVP level. For all of these …
The simple yet elusive crystal structure of silver acetate and the role of the Ag− Ag bond in the formation of silver nanoparticles during the thermally induced reduction …
LP Olson, DR Whitcomb, M Rajeswaran… - Chemistry of …, 2006 - ACS Publications
We report the single-crystal X-ray structure of silver acetate, accompanied by Raman spectra
and density functional theory calculations. This work should aid understanding of the …
and density functional theory calculations. This work should aid understanding of the …
Interaction of Li+, Na+, and K+ with the Proline Amino Acid. Complexation Modes, Potential Energy Profiles, and Metal Ion Affinities
The stationary points characterizing the potential energy profiles of the complexation
process of the proline unusual α-amino acid with the alkali metal ions M+ (Li+, Na+ and K+) …
process of the proline unusual α-amino acid with the alkali metal ions M+ (Li+, Na+ and K+) …
Binding energies of water to sodiated valine and structural isomers in the gas phase: the effect of proton affinity on zwitterion stability
The structures of valine (Val) and methylaminoisobutyric acid (Maiba) bound to a sodium
ion, both with and without a water molecule, are investigated using both theory and …
ion, both with and without a water molecule, are investigated using both theory and …
Gas-phase fragmentation of the Ag+—Phenylalanine complex: Cation—π interactions and radical cation formation
Collision-induced dissociation experiments on the Ag+—phenylalanine complex using
several collision energies were shown to yield ten different fragment ions. Unambiguous …
several collision energies were shown to yield ten different fragment ions. Unambiguous …
Silver complexation and tandem mass spectrometry for differentiation of isomeric flavonoid diglycosides
For detection and differentiation of isomeric flavonoids, electrospray ionization mass
spectrometry is used to generate silver complexes of the type (Ag+ flavonoid)+. Collisionally …
spectrometry is used to generate silver complexes of the type (Ag+ flavonoid)+. Collisionally …
Structures of cationized proline analogues: evidence for the zwitterionic form
The structures of lithiated and sodiated α-methyl-proline (α-Me-Pro) and structural isomers,
both with and without a water molecule, are investigated using blackbody infrared radiative …
both with and without a water molecule, are investigated using blackbody infrared radiative …
Ag(I)-Catalyzed Regioselective Ring-Opening of N-Tosylaziridine and N-Tosylazetidine with S-, O-, and N-Nucleophiles and Tethered Dinucleophiles
[Ag (COD) 2] PF6 catalyzes the ring-opening of N-tosylaziridines and-azetidines with
alcohols, amines, thiols, and related tethered 1, 2-ethane dinucleophiles. Initial rate studies …
alcohols, amines, thiols, and related tethered 1, 2-ethane dinucleophiles. Initial rate studies …