1 Z. Dinya, T. Timár, S. Hosztafi, A. Fodor,
P. Deák, Á. Somogyi, M. Berényi, "Theoretical Considerations
about the Possible Mode of Action of Precocenes", in QSAR and Strategies
in the Design of Bioactive Compounds, ed. J. K. Seydel, pp. 403 409, Weihert
Druck GmbH, D 6100 Darmstadt, 1985.
2 Á. Somogyi, Z. Dinya, A. Császár,
P. Császár, "Use of Semiempirical Methods for the Prediction
of Equilibrium Geometries and Ionization Potentials of 4H Pyran 4 one
and Sulphur Analogues", J. Mol. Struct. (Theochem) 1985, 133, 95.
3 P. Császár, A. Császár, Á.
Somogyi, Z. Dinya, S. Holly, M. Gál, J. E. Boggs, "Vibrational spectra,
scaled quantum mechanical (SQM) force field and assignments for 4H
pyran 4 one", Spectrochim. Acta 1986, 42A, 473.
4 L. Somsák, Gy. Batta, I. Farkas, L. Párkányi,
A. Kálmán, Á. Somogyi, "Synthesis and Stereochemistry
of a New Spiro Glycosylidene Heterocycle from the Reaction of 1 Bromoglycosyl
Cyanides with Nucleophiles: Complete Identification of Hydrogen Bridges by
NMR Methods and X ray Analysis", J. Chem. Research 1986 436.
5 I. Komáromi, Z. Dinya, Á. Somogyi, "Electronic
structure of substituted benzenes by HAM/3 method", Kém. Közl.
1986, 66, 222 (in Hungarian).
6 Z. Dinya, I. Komáromi, Á. Somogyi, "Interpretation
of UPS and XPS spectra of ,ß unsaturated carbonyl compounds by
HAM/3 method" Kém. Közl. 1986, 66, 15 (in Hungarian).
7 Á. Somogyi, I. Komáromi, Z. Dinya, "Equilibrium
geometries of chromone and sulphur analogues by CNDO/2 and MINDO/3 methods"
Kém. Közl. 1986, 66, 213 (in Hungarian).
8 Á. Somogyi, P. Császár, Z. Dinya,
A. Császár, "Theoretical Force Fields and Vibrational Spectra
of 4H Pyran 4 one by CNDO/2 and MINDO/3 Force Methods", J. Mol. Struct. (Theochem)
1987, 151, 29.
9 Á. Somogyi, I. Komáromi, Z. Dinya, "Use
of Semiempirical Methods for the Predictions of Equilibrium Geometries of
the Positively Charged Molecular Ions of 4H Pyran 4 one, 4H 1 Benzopyran
4 one and their Thioanalogues", Acta Chim. Hung. 1987, 124, 855.
10 P. László, I. F. Pelyvás, F. Sztaricskai,
L. Szilágyi, Á. Somogyi, "Novel Aspects of the Ferrier Carbocyclic
Ring transformation Reaction", Carbohydrate Res. 1988, 175, 227.
11 Á. Somogyi, G. Jalsovszky, Cs. Fülöp,
J. Stark, J. E. Boggs, "Use of a scaled quantum mechanical (SQM) force field
for the interpretation and prediction of the vibrational spectra of 4H pyran
4 thione", Spectrochim. Acta 1989, 45A, 679.
12 I. Komáromi, Á. Somogyi, Z. Dinya, R.
Bognár, F. Sztaricskai, "The Role of the Carboxylate binding Pocket
of the Vancomycin Group of Antibiotics in the Antibacterial Effect",
J. Mol. Struct. (Theochem) 1989, 201, 351.
13 Á. Somogyi, J. Tamás, "Does a Bond Exist
Between the Two Silicons in Cyclodisiloxane?", J. Phys. Chem. 1990,
94, 5554.
14 Á. Somogyi, J. Tamás, A. G. Császár,
"An ab initio study on simple 1,3 cyclodisiloxane derivatives", J. Mol. Struct.
(Theochem) 1991, 232, 123.
15 Á. Gömöry, Á. Somogyi, J. Tamás,
G. Stájer, G. Bernáth, I. Komáromi, "Mass Spectrometric
and MNDO Study of Electron Impact Induced Fragmentation of Some Norbornane
an Norbornene Condensed Pyrimidinones and Oxazinones", Int. J. Mass Spectrom.
Ion Processes 1991, 107, 225.
16 Á. Somogyi, Á. Gömöry, K. Vékey,
J. Tamás, "Use of Bond Orders and Valences for the Description and
Prediction of Primary Fragmentation Processes" , Org. Mass Spectrom. 1991,
26, 936.
17 Z. Dinya, A. Lévai, J. B. Schág, Á.
Somogyi, G. Pócsfalvi, V. Galamb, "Substituent and Coupling Effects
in the IR Spectra of Arylidenecyclanones", Spectrochim. Acta 1992, 48A, 25.
18 Á. Somogyi, Á. Gömöry, "A Comparative
Study of Mayer's Indexes in BnHm Species", Chem. Phys. Letters 1992, 192,
221.
19 K. Vékey, Á. Somogyi, J. Tamás,
G. Pócsfalvi, "Stereochemical Effects in the Mass Spectra of Some
Cyclopropylsilanes Explained by the MNDO Molecular Orbital Method. I. Silicon-Oxygen
Interactions", Org. Mass Spectrom. 1992, 27, 869.
20 K. Vékey, J. Tamás, Á. Somogyi,
A. Bertazzo, C. Costa, G. Allegri, R. Seraglia, P. Traldi, "Studies on Structure
Characterization of Tryptophan Melanin: Comparison Between Filament and Curie-point
Pyrolysis Gas Chromatography/Mass Spectrometry", Org. Mass Spectrom. 1992,
27, 1216.
21 A. G. Császár, Á. Somogyi, G. Pócsfalvi,
P. Traldi, "Ring Opening of the Molecular Ion of 5(4H)-Oxazolone", Org. Mass
Spectrom. 1992, 27, 1349.
22 Á. Somogyi, T. E. Kane, V. H. Wysocki, "Reactions
Between Doubly-Charged C6H62+ Ions and Self-Assembled Monolayer Films", Org.
Mass Spectrom. 1993, 28, 283.
23 L. Pandolfo, G. Paiaro, Á. Somogyi, S. Cantinella,
P. Traldi, "Structural Investigation of the Hydroxy-propynal Molecular Ion",
Rapid Comm. Mass Spectrom. 1993, 7, 132.
24 Á. Somogyi, T. E. Kane, J.-M. Ding, V. H. Wysocki,
"Reactive Collisions of C6H6+. and C6D6+. at Self-Assembled Monolayer Films
Prepared on Gold from n-Alkanethiols and a Fluorinated Alkanethiol: The Influence
of Chain Length on the Reactivity of the Films and the Neutralization of
the Projectile", J. Am. Chem. Soc. 1993, 115, 5275.
25 V. H. Wysocki, Á. Somogyi, J. L. Jones, A. R.
Dongré, A. L. McCormack, "Surface-Induced Dissociation of Peptides",
in Biological Mass Spectrometry: Present and Future, Wiley and Sons, Chapter
2.14, pp. 249-254, 1993.
26 J. H. Callahan, Á. Somogyi, V. H. Wysocki, "Collisions
of C60+. and C602+ at Fluorinated and Non-Fluorinated Self-Assembled Monolayer
Films", Rapid Comm. Mass Spectrom. 1993, 7, 693.
27 A. L. McCormack, Á. Somogyi, A. R. Dongré,
V. H. Wysocki, "Fragmentation of Protonated Peptides: Surface-Induced Dissociation
in Conjunction with a Quantum Mechanical Approach", Anal. Chem. 1993, 65,
2859-2872.
28 T. E. Kane, Á. Somogyi, V. H. Wysocki, "Reactive
Ion-Surface Collisions: The Application of Ionized Acetone-d6, DMSO-d 6,
and Pyridine-d 5 as Probes for the Characterization of Self-Assembled
Monolayer Films on Gold", Org. Mass Spectrom. 1993, 28, 1665-1673.
29 K. Vékey, B. Paizs, Á. Somogyi,
D. Knausz, G. Pócsfalvi, "Various Energy Minima and Corresponding
Fragmentation Processes: Alkylsilanes", Org. Mass Spectrom. 1993, 28, 1491-1497.
30 Á. Somogyi, V. H. Wysocki, I. Mayer, "The Effect
of Protonation Site on Bond Strengths in Simple Protonated Peptides: Application
of Ab Initio and MNDO Bond Orders and MNDO Energy Partitioning", J. Am. Soc.
Mass Spectrom. 1994, 5, 704-717.
31 G. Pócsfalvi, A. Lévai, Z. Dinya, Á.
Somogyi, K. Vékey, "Electron-Impact Induced Fragmentation of 2,3,-Dihydro-1,5-Benzothiazepine-4(5H)-ones",
Org. Mass Spectrom. 1994, 29, 303-308.
32 J. L. Jones, A. R. Dongré, Á. Somogyi,
V. H. Wysocki, "Sequence Dependence of Peptide Fragmentation Efficiency Curves
Determined by Electrospray Ionization/Surface-Induced Dissociation Mass Spectrometry",
J. Am. Chem. Soc. 1994, 116, 8368-8369.
33 L. Pandolfo, G. Paiaro, Á. Somogyi, S. Catinella,
P. Traldi, "On the Gas-phase Reaction of C3O2+. with C3O2", Org. Mass Spectrom.
1994, 29, 540-546.
34 K. Vékey, Á. Somogyi, V. H. Wysocki, "Internal
Energy Distribution of Benzene Molecular Ions in Surface-Induced Dissociation",
J. Mass Spectrom. 1995, 30, 212-217.
35 M. Meot-Ner (Mautner), A. R. Dongré, Á.
Somogyi, V. H. Wysocki, “Thermal Decomposition Kinetics of Protonated Peptides
and Peptide Dimers, and Comparison with Surface-Induced Dissociation”, Rapid
Commun. Mass Spectrom. 1995, 9, 829-836.
36 L. Pandolfo, Á. Somogyi, C. Catinella, P. Traldi,
“On the Reactivity of C3O2 with [C3H6]+.”, J. Mass Spectrom. 1995, 31, 1049-1050.
37 D. Favretto, P. Traldi, P. Bravo, F. Viani, J. Tamás,
G. Czira, Á. Somogyi, “Influence of Different Ionization Conditions
on the Mass Spectrometric Behavior of Some Fluorinated Acyclic Nucleoside
Analogs”, Rapid Commun. Mass Spectrom. 1995, 9, 1127-1134.
38 A. R. Dongré, Á. Somogyi, V. H. Wysocki,
“Surface-Induced Dissociation: An Effective Tool to Probe Structure, Energetics
and Fragmentation Mechanism of Protonated Peptides”, J. Mass Spectrom. 1996,
31, 339-350.
39 K. Vékey, Á. Somogyi, V. H. Wysocki, “Average
Activation Energies of Low-Energy Fragmentation Processes of Protonated Peptides
Determined by a New Approach”, Rapid Commun. Mass Spectrom. 1996, 10, 911-918.
40 A. R. Dongré, J. L. Jones, Á. Somogyi,
V. H. Wysocki, “Influence of Peptide Composition, Gas-Phase Basicity and
Chemical Modification on Fragmentation Efficiency: Evidence for the Mobile
Proton Model”, J. Am. Chem. Soc. 1996, 118, 8365-8374.
41 M. J. Hayward, F. D. S. Park, L. M. Manzella, S. L.
Bernasek, Á. Somogyi, V. H. Wysocki, “Examination of Sputtered Ion
Mechanisms Leading to the Formation of C7H7+ During Surface-Induced Dissociation
(SID) Tandem Mass Spectrometry (MS/MS) of Benzene Molecular Cations”, J.
Am. Chem. Soc. 1996, 118, 8375-8380.
42 H. Nair, Á. Somogyi, V. H. Wysocki, “Effect of
Alkyl Substitution at the Amide Nitrogen on Amide Bond Cleavage: ESI/SID
Fragmentation of Substance P and Two Alkylated Analogs”, J. Mass Spectrom.
1996, 31, 1141-1148.
43 Szabó, P. T.; Pócsfalvi, G.; Györgydeák,
Z.; Somogyi, Á.; Dinya, Z. “Electron Impact Mass Spectrometry of 2-Aryl-Thiazolidine-4-Carboxylic
Acids”, Rapid Commun. Mass Spectrom. 1996, 10, 1136-1140.
44 J. De Maaijer-Gielbert, Á. Somogyi, V. H. Wysocki,
P. G. Kistemaker, T. L. Weeding, “Surface-Induced Dissociation of Diphenyl
Ether”, Int. J. Mass Spectrom. Ion Processes 1998, 174, 81-94.
45 De Maaijer-Gielbert, J.; Gu; Somogyi, Á.;
Wysocki, V. H.; Kistemaker, P. G.; Weeding, T. L. “Surface-Induced Dissociation
of Singly and Multiply Protonated Polypropylamine Dendrimers”, J. Am. Soc.
Mass Spectrom. 1999, 10, 414-422.
46 Tsaprailis, G.; Nair, H.; Somogyi, Á.; Wysocki,
V. H.; Zhong, W.; Futrell, J. H.; Summerfield, S. G.; Gaskell, S. J. “Influence
of Secondary Structure on the Fragmentation of Protonated Peptides” J. Am.
Chem. Soc. 1999, 121, 5142-5154.
47 Gu, C.; Somogyi, Á.; Wysocki, V. H.; Medzihradszky,
K. F. “Fragmentation of Protonated Oligopeptides XLDVLQ (X = L, H, K, and
R) by Surface-Induced Dissociation: Additional Evidence for the Mobile Proton
Model”, Acta Chim. Acta, 1999, 397, 247-256.
48 Tsaprailis, G.; Somogyi, Á.; Nikolaev, E. N.;
Wysocki, V. H. “Refining the Model for Selective Cleavage at Acidic Residues
in Arginine-Containing Protonated Peptides”, Int. J. Mass Spectrom. and Ion
Physics, 2000, 195/196, 467-479.
49 Nikolaev, E. N.; Somogyi, Á.; Smith, D.; Gu,
C.; Wysocki, V. H.; Martin, C. D. “Implementation of SID and CID on
a Sector/Time-of-Flight Hybrid Mass Spectrometer”, Int. J. Mass Spectrom.,
2001, 212, 535-551.
50 Nemykin, V. N.; Davie, S. R.; Mondal, S.; Rubie, N.;
Kirk, M. L.; Somogyi, Á.; Basu, P. “An Analogue System Displaying
All the Important Processes of the Catalytic Cycles Involving Monooxomolybdenum(VI)
and Desoxomolybdenum(IV) Centers”, J. Am. Chem. Soc., 2002, 124, 756-757.
51 Medzihradszky, K. F.; Ambulos, N. P.; Khatri, A.; Osapay,
G.; Remmer, H. A.; Somogyi, Á.; Kates, S. A. “Mass Spectrometry Analysis
for the Determination of Side Reactions for Cyclic PeptidesPrepared from
an Fmoc/tBu/Dmab Protecting Group Strategy”, in press, Letters in Peptide
Science, 2002, 13, 1151-1161.
52 Paizs, B.; Suhai, S.; Hargittai, B.; Hruby, V. J.; Somogyi,
Á. “Ab initio and MS/MS Studies on Protonated Peptides Containing
Basic and Acidic Residues. I. Solvated Proton vs. Salt Bridge Structures
and Main Fragmentation Patterns of Protonated RD-NH3”, Int. J. Mass Spectrom.,
2002, 219, 203-232.
53 Somogyi, Á.; Smith, D. L.; Wysocki, V. H.; Colorado,
R., Jr.; Lee, R. “Neutralization of Methyl Cation via Chemical Reactions
in Low Energy Ion-Surface Collisions with Fluorocarbon and Hydrocarbon Self-Assembled
Monolayer Films”, J. Am. Soc. Mass Spectrom., 2002, 13, 1151-1161.