The European Physical Journal D

Volume 20 / No 3 (September 2002)

Molecular physics of building blocks of life under isolated or defined conditions

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Editorial

Molecular physics of building blocks of life under isolated or defined conditions p. 309

R. Weinkauf, J.-P. Schermann, M. S. de Vries and K. Kleinermanns

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00185-0

Isolated Nucleobases and their Clusters

Properties of isolated DNA bases, base pairs and nucleosides examined by laser spectroscopy p. 317

E. Nir, Ch. Plützer, K. Kleinermanns and M. de Vries

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00167-2

Hydration of nucleic acid components in dependence on nucleotide composition and relative humidity: a Monte Carlo simulation p. 331

A. Shestopalova

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00145-8

Isolation of adenine salts in the gas phase from a liquid beam of aqueous solutions by IR laser irradiation p. 339

J.-Y. Kohno, F. Mafuné and T. Kondow

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00165-4

Tautomer contributions to the near UV spectrum of guanine: towards a refined picture for the spectroscopy of purine molecules p. 347

W. Chin, M. Mons, I. Dimicoli, F. Piuzzi, B. Tardivel and M. Elhanine

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00171-6

Electronic excitation and singlet-triplet coupling in uracil tautomers and uracil-water complexes - A quantum chemical investigation p. 357

C. M. Marian, F. Schneider, M. Kleinschmidt and J. Tatchen

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00158-3

On the mechanism of nonradiative decay of DNA bases: ab initio and TDDFT results for the excited states of 9H-adenine p. 369

A. L. Sobolewski and W. Domcke

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00164-5

Model Systems for Nucleobases

Tautomery and H-bonding characteristics of : a combined experimental and theoretical study p. 375

R. Ramaekers, L. Adamowicz and G. Maes

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00160-9

Infrared ion dip and ultraviolet spectroscopy of 4-phenyl imidazole, its tautomer, 5-phenyl imidazole, and its multiply hydrated clusters p. 389

F. O. Talbot and J. P. Simons

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00146-7

Picosecond time-resolved nonresonant ionization detected IR spectroscopy on 7-azaindole dimer p. 399

M. Sakai, S. Ishiuchi and M. Fujii

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00162-7

Stimulated spectroscopic study on intermolecular vibrations of size-selected benzonitrile clusters p. 403

R. Yamamoto, T. Ebata and N. Mikami

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00143-x

Nucleotides and DNA Fragments

Gas-phase conformational and energetic properties of deprotonated dinucleotides p. 409

J. Gidden and M. T. Bowers

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00170-7

Nucleobase and Amino Acid Complexes

Modeling of recognition sites of nucleic acid bases and amide side chains of amino acids. Combination of experimental and theoretical approaches p. 421

V. S. Shelkovsky, S. G. Stepanian, I. K. Galetich, M. V. Kosevich and L. Adamowicz

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00144-9

Barrier-free intermolecular proton transfer in the uracil-glycine complex induced by excess electron attachment p. 431

M. Gutowski, I. Dąbkowska, J. Rak, S. Xu, J. M. Nilles, D. Radisic and K. H. Bowen Jr

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00168-1

Amino Acids, their Clusters and Model Systems for Amino Acids

Low energy electron attachment to formic acid p. 441

A. Pelc, W. Sailer, P. Scheier, N. J. Mason and T. D. Märk

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00140-1

Hydrogen atom transfer in indole (NH₃)_n clusters: formation dynamics of (NH₃)_n-1NH₄, n = 1–6, fragments p. 445

H. Lippert, V. Stert, L. Hesse, C. P. Schulz, W. Radloff and I. V. Hertel

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00161-8

Structures of amide-water neutral complexes from dipole-bound anion formation p. 449

F. Lecomte, B. Lucas, G. Grégoire, J. P. Schermann and C. Desfrançois

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00159-2

Inelastic interactions of protons and electrons with biologically relevant molecules p. 459

B. Coupier, B. Farizon, M. Farizon, M. J. Gaillard, F. Gobet, N.V. de Castro Faria, G. Jalbert, S. Ouaskit, M. Carré, B. Gstir et al. (5 more)

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00166-3

Interaction between aromatic amine cations and nonpolar solvents: Infrared spectra of isomeric aniline⁺–Ar_n (n = 1,2) complexes p. 469

N. Solcà and O. Dopfer

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00147-6

Native and Modified Peptides and their Complexes

The role of enhanced aromatic π-electron donating aptitude of the tyrosyl sidechain with respect to that of phenylalanyl in intramolecular interactions p. 481

G. A. Chass, S. Lovas, R. F. Murphy and I. G. Csizmadia

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00155-6

N-acetyl-L-aspartic acid-N'-methylamide with side-chain orientation capable of external hydrogen bonding - Backbone and side-chain folding, studied at the DFT level of quantum theory p. 499

J. C.P. Koo, G. A. Chass, A. Perczel, Ö. Farkas, A. Varro, L. L. Torday, J. Gy. Papp and I. G. Csizmadia

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00148-5

Toward direct determination of conformations of protein building units from multidimensional NMR experiments III - A theoretical case study of For–L-Phe–NH p. 513

A. Perczel and A. G. Császár

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00157-4

Exploration of the full conformational space of N-acetyl-L-glutamate-N-methylamide - An ab initio and DFT study p. 531

M. F. Masman, M. A. Zamora, A. M. Rodríguez, N. G. Fidanza, N. M. Peruchena, R. D. Enriz and I. G. Csizmadia

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00150-y

Clusters of a protected amino acid with pyrazole derivatives: -sheet model systems in the gas phase p. 543

C. Unterberg, A. Gerlach, T. Schrader and M. Gerhards

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00152-9

A DFT study of electron or hole localization in a peptide containing asparagin p. 551

C. Houée-Levin and J. Bergès

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00142-y

Charge transport in a polypeptide chain p. 557

S.-Y. Sheu, D.-Y. Yang, H. L. Selzle and E. W. Schlag

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00154-7

Time resolved photodissociation of small peptide ions - Combining laser desorption with ion trap/reflectron TOF mass spectromerty p. 565

W. Cui, Y. Hu and C. Lifshitz

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00139-6

Analytical laser induced liquid beam desorption mass spectrometry of protonated amino acids and their non-covalently bound aggregates p. 573

A. Charvat, E. Lugovoj, M. Faubel and B. Abel

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00169-0

Electric dipole moments and conformations of isolated peptides p. 583

R. Antoine, I. Compagnon, D. Rayane, M. Broyer, Ph. Dugourd, G. Breaux, F. C. Hagemeister, D. Pippen, R. R. Hudgins and M. F. Jarrold

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00149-4

Proteins

Investigation of S–H bonds in biologically important compounds by sulfur K-edge X-ray absorption spectroscopy p. 589

A. Prange, C. Dahl, H. G. Trüper, M. Behnke, J. Hahn, H. Modrow and J. Hormes

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00156-5

Chromophores of the green fluorescent protein studied in the gas phase p. 597

L. H. Andersen, A. Lapierre, S. B. Nielsen, I. B. Nielsen, S. U. Pedersen, U. V. Pedersen and S. Tomita

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00141-0

Essential dynamics and sidechain hydrogen bond cluster studies on eosinophil cationic protein p. 601

B. S. Sanjeev and S. Vishveshwara

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00151-x

Other Biological Relevant Molecules

Vitamin E models - The effect of heteroatom substitution in 2-ethyl-2-methyl chroman and 2-ethyl-2-methyl-6-hydroxychroman p. 609

D. H. Setiadi, G. A. Chass, L. L. Torday, A. Varro, J. Gy. Papp and I. G. Csizmadia

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00163-6

Photo-induced reactions of hemin⁺(DMSO)_n clusters (n = 0–3) produced with electrospray ionization p. 619

S. Nonose, H. Tanaka, N. Okai, T. Shibakusa and K. Fuke

Published online: 13 September 2002

DOI: 10.1140/epjd/e2002-00153-8

EPJ

The European Physical Journal D

Volume 20 / No 3 (September 2002)

Molecular physics of building blocks of life under isolated or defined conditions

Molecular physics of building blocks of life under isolated or defined conditions p. 309

Isolated Nucleobases and their Clusters

Properties of isolated DNA bases, base pairs and nucleosides examined by laser spectroscopy p. 317

Hydration of nucleic acid components in dependence on nucleotide composition and relative humidity: a Monte Carlo simulation p. 331

Isolation of adenine salts in the gas phase from a liquid beam of aqueous solutions by IR laser irradiation p. 339

Tautomer contributions to the near UV spectrum of guanine: towards a refined picture for the spectroscopy of purine molecules p. 347

Electronic excitation and singlet-triplet coupling in uracil tautomers and uracil-water complexes - A quantum chemical investigation p. 357

On the mechanism of nonradiative decay of DNA bases: ab initio and TDDFT results for the excited states of 9H-adenine p. 369

Model Systems for Nucleobases

Tautomery and H-bonding characteristics of : a combined experimental and theoretical study p. 375

Infrared ion dip and ultraviolet spectroscopy of 4-phenyl imidazole, its tautomer, 5-phenyl imidazole, and its multiply hydrated clusters p. 389

Picosecond time-resolved nonresonant ionization detected IR spectroscopy on 7-azaindole dimer p. 399

Stimulated spectroscopic study on intermolecular vibrations of size-selected benzonitrile clusters p. 403

Nucleotides and DNA Fragments

Gas-phase conformational and energetic properties of deprotonated dinucleotides p. 409

Nucleobase and Amino Acid Complexes

Modeling of recognition sites of nucleic acid bases and amide side chains of amino acids. Combination of experimental and theoretical approaches p. 421

Barrier-free intermolecular proton transfer in the uracil-glycine complex induced by excess electron attachment p. 431

Amino Acids, their Clusters and Model Systems for Amino Acids

Low energy electron attachment to formic acid p. 441

Hydrogen atom transfer in indole (NH3)n clusters: formation dynamics of (NH3)n-1NH4, n = 1–6, fragments p. 445

Structures of amide-water neutral complexes from dipole-bound anion formation p. 449

Inelastic interactions of protons and electrons with biologically relevant molecules p. 459

Interaction between aromatic amine cations and nonpolar solvents: Infrared spectra of isomeric aniline+–Arn (n = 1,2) complexes p. 469

Native and Modified Peptides and their Complexes

The role of enhanced aromatic π-electron donating aptitude of the tyrosyl sidechain with respect to that of phenylalanyl in intramolecular interactions p. 481

N-acetyl-L-aspartic acid-N'-methylamide with side-chain orientation capable of external hydrogen bonding - Backbone and side-chain folding, studied at the DFT level of quantum theory p. 499

Toward direct determination of conformations of protein building units from multidimensional NMR experiments III - A theoretical case study of For–L-Phe–NH p. 513

Exploration of the full conformational space of N-acetyl-L-glutamate-N-methylamide - An ab initio and DFT study p. 531

Clusters of a protected amino acid with pyrazole derivatives: -sheet model systems in the gas phase p. 543

A DFT study of electron or hole localization in a peptide containing asparagin p. 551

Charge transport in a polypeptide chain p. 557

Time resolved photodissociation of small peptide ions - Combining laser desorption with ion trap/reflectron TOF mass spectromerty p. 565

Analytical laser induced liquid beam desorption mass spectrometry of protonated amino acids and their non-covalently bound aggregates p. 573

Electric dipole moments and conformations of isolated peptides p. 583

Proteins

Investigation of S–H bonds in biologically important compounds by sulfur K-edge X-ray absorption spectroscopy p. 589

Chromophores of the green fluorescent protein studied in the gas phase p. 597

Essential dynamics and sidechain hydrogen bond cluster studies on eosinophil cationic protein p. 601

Other Biological Relevant Molecules

Vitamin E models - The effect of heteroatom substitution in 2-ethyl-2-methyl chroman and 2-ethyl-2-methyl-6-hydroxychroman p. 609

Photo-induced reactions of hemin+(DMSO)n clusters (n = 0–3) produced with electrospray ionization p. 619

Conference announcements

Hydrogen atom transfer in indole (NH₃)_n clusters: formation dynamics of (NH₃)_n-1NH₄, n = 1–6, fragments p. 445

Interaction between aromatic amine cations and nonpolar solvents: Infrared spectra of isomeric aniline⁺–Ar_n (n = 1,2) complexes p. 469

Photo-induced reactions of hemin⁺(DMSO)_n clusters (n = 0–3) produced with electrospray ionization p. 619