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 …

FiD: a software for ab initio structural identification of product ions from tandem mass spectrometric data

M Heinonen, A Rantanen, T Mielikäinen… - … Journal Devoted to …, 2008 - Wiley Online Library
Abstract We present FiD (Fragment iDentificator), a software tool for the structural
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

T Shoeib, KWM Siu, AC Hopkinson - The Journal of Physical …, 2002 - ACS Publications
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 …

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 …

Interaction of Li+, Na+, and K+ with the Proline Amino Acid. Complexation Modes, Potential Energy Profiles, and Metal Ion Affinities

T Marino, N Russo, M Toscano - The Journal of Physical …, 2003 - ACS Publications
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+) …

Binding energies of water to sodiated valine and structural isomers in the gas phase: the effect of proton affinity on zwitterion stability

AS Lemoff, MF Bush, ER Williams - Journal of the American …, 2003 - ACS Publications
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 …

Gas-phase fragmentation of the Ag+—Phenylalanine complex: Cation—π interactions and radical cation formation

T Shoeib, A Cunje, AC Hopkinson, KW Siu - Journal of the American …, 2002 - Springer
Collision-induced dissociation experiments on the Ag+—phenylalanine complex using
several collision energies were shown to yield ten different fragment ions. Unambiguous …

Silver complexation and tandem mass spectrometry for differentiation of isomeric flavonoid diglycosides

J Zhang, JS Brodbelt - Analytical Chemistry, 2005 - ACS Publications
For detection and differentiation of isomeric flavonoids, electrospray ionization mass
spectrometry is used to generate silver complexes of the type (Ag+ flavonoid)+. Collisionally …

Structures of cationized proline analogues: evidence for the zwitterionic form

AS Lemoff, MF Bush, ER Williams - The Journal of Physical …, 2005 - ACS Publications
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 …

Ag(I)-Catalyzed Regioselective Ring-Opening of N-Tosylaziridine and N-Tosylazetidine with S-, O-, and N-Nucleophiles and Tethered Dinucleophiles

M Bera, S Pratihar, S Roy - The Journal of Organic Chemistry, 2011 - ACS Publications
[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 …