LIST OF PUBLICATIONS
DR. ÁRPÁD SOMOGYI

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.