Prof. dr hab. Andrzej Leś
WYKAZ
oryginalnych prac naukowych za lata 1972-2010
1. Kołos, W.; Leś, A.
"Nonadditive Effects in the First-Order Interaction Energy of Hydrogen Atoms "
Chemical Physics Letters 1972, 14, 167-169.
2. Kołos, W.; Leś, A.
"Modified Effective Electron Model for Calculation of the Interaction Energy of Rare Gas Atoms "
International Journal of Quantum Chemistry 1972, 6, 1101-1112.
3. Leś, A.
"Third Virial Coefficient and Nonadditivity of the First -Order Repulsive Interactions of Rare-Gas Atoms "
Chemical Physics Letters 1976, 37, 399-400.
4. Baran, J.; Leś, A.
"On the Interaction Energy between Some Nematogenic Molecules "
Molecular Crystals and Liquid Crystals 1979, 54, 273-288.
5. Leś, A.; Radzio, E.
"Nonadditive Effects in the First-Order Interaction Energy of Hydrogen Molecules "
Acta Physica Polonica 1979, A55, 351-358.
6. Cieplak, P.; Geller, M., Leś, A.
"Interactions between Solute and .Solvent Molecules in Nucleic Acid Bases Solutions "
in :
"Biomolecular Structure,Conformation,Function and Evolution "
ed. by R.Srinivasan,Pergamon Press : Oxford, 1981, pp.321-327.
7. Ortega Blake, I.; Leś, A.; del Conde, G.
"On the Dissociation of Doubly Charged Cations - (Mg-H2O) 2+ and (Mg-(H2O) 2 ) 2+ "
Journal of Chemical Physics 1980, 73, 5698-5701.
8. Pecul, K.; Leś, A.
"Ab Initio Simplified Calculations of the Intermolecular Interaction Energy "
Acta Physica Polonica 1980, A57, 745-751.
9. Leś, A.; Ortega-Blake, I.
"Magnesium and Calcium Cation-Ligand Interactions within the Pseudopotential Approach. Part I. CationWater Interaction "
International Journal of Quantum Chemistry Quantum Biology Symposium 1979, 6, 189-201.
erratum:
International Journal of Quantum Chemistry 1981, 19, 719-720.
10. Ortega Blake, I.; Leś, A.
"Magnesium and Calcium Cation-Ligand Interaction within the Pseudopotential Approach. Part II.CationGABA Interactions "
International Journal of Quantum Chemistry 1981, 19, 463-476.
11. Novaro, O; Castillo, S.; Kołos, W.; Leś, A.
"Three-Body Potential Energy Terms for Methane Trimers "
International Journal of Quantum Chemistry 1981, 19, 637-648.
12. Novaro, O.; Cruz, S.; S.Castillo, S.; Kołos, W.; Leś, A.
1
"Theoretical Study of Hydrogen-Bonded Trimers.Three-Body Non-additive Interactions between Ammonia
Molecules "
Journal of Chemical Physics 1981, 74, 1118-1124 .
13. Ortega Blake, I.; Novaro, O.; Leś, A.; Rybak, S.
"A Molecular Orbital Study of the Hydration of Ions. The Role of Non-Additive effects in the hydration
shells around Mg 2+ and Ca 2+ "
Journal of Chemical Physics 1982, 76, 5405-5413.
14. Ortega Blake, I.; Leś, A.; Rybak, S.
"The Interaction of -Aminobutiric Acid with Hydrated Ca2+ and Mg2+ . A Pseudo-Potential Ab Initio
Study "
Journal of Theoretical Biology 1983, 104, 571-590.
15. Novaro, O.; Leś, A.; Galvan, M.; del Conde, G.
"Theoretical Study of Three-Body Nonadditive Interactions for the H2S - (H2O)2 System "
Theoretica Chimica Acta 1983, 64, 65-81.
16. Leś, A.; Grabowski, S.
"The Hydration of GABA and of the GABA-Zn2+ Complex. Monte Carlo Simulation study "
International Journal of Quantum Chemistry 1984, 26, 167-181.
17. Leś, A.
"A Pseudopotential Study of the Hydrogen Bond in H2O-H2S, H2S-H2S and H2O-H2Se Systems "
Theoretica Chimica Acta 1985, 66, 375-393.
18. Leś, A.; Ortega Blake, I.
"A Theoretical Study of Tautomerism 2- and 4-Oxo-Pyrimidine and Some of their Derivatives "
International Jornal of Quantum Chemistry 1985, 27, 567-583.
19. Leś, A.; Ortega Blake, I.
"The Search of Small Reliable Gaussian Basis Sets for Pseudopotential Calculations.I.Small Isolated
Molecules "
Acta Physica Polonica 1987, A72, 587-598.
20. Leś, A. ; Ortega Blake, I.
"The Search of Small Reliable Gaussian Basis Sets for Pseudopotential Calculations.II.Intermolecular
Interactions "
Acta Physica Polonica 1987, A72, 599-608.
21. Leś, A.; Ortega Blake, I.
"Tautomerism of Uracil,Cytosine,Isocytosine and Some of Their Thio-Derivatives "
International Journal of Quantum Chemistry 1986, 30, 225-237.
22. Leś, A.; Kukawska-Tarnawska, B.
"The Tautomerism of Biologically Important Pyrimidines "
Journal of Molecular Structure (Theochem) 1986, 148, 45-60.
23. Kinasiewicz, W.; Leś, A.; Wawer, I.
"Ab Initio SCF Calculations of the Barrier to Internal Rotation in Formamidine and Its Derivatives"
Journal of Molecular Structure (Theochem) 1988, 168, 1-14.
24. Leś, A.; Adamowicz, L.
"Oxo-Hydroxy Tautomerism of Uracil and 5-Fluorouracil"
Journal Physical Chemistry 1989, 93, 7078-7081.
25. Leś, A.; Adamowicz, L.; Bartlett, R. J.
2
"Relative Stability of Cytosine Tautomers with Coupled Cluster Method and First-Order Correlation
Orbitals"
Journal of Physical Chemistry 1989, 93, 4001-4005.
26. Tagueňa-Martinez, J.; Barrio, R.A.; Sansores, L.E.; Leś, A.; Ortega Blake, I.
"A Cluster Calculation of Group IV Impurities in Si and Ge"
Journal of Non-Crystalline Solids 1989, 111, 178-188.
27. Leś, A.; Adamowicz, L.
"Which tautomeric form of 5-methylcytosine predominates in vacuum ?".
Journal of Molecular Structure 1990 , 221 , 209-218.
28. Leś, A.; Adamowicz, L.
"Tautomerism of 2- and 4-Thiouracil. Ab initio Theoretical
Study".
Journal of Americal Chemical Society 1990, 112, 1504-1509.
29. Łapiński, Ł.; Nowak, M.J.; Fulara, J.; Leś, A.; Adamowicz, L,
"Matrix Isolation and Ab initio Theoretical Studies of the IR
Spectrum of 5-methylcytosine".
Journal of Physical Chemistry 1990, 94, 6555-6564.
30. Leś, A.; Adamowicz, L.
"Theoretical Ab initio study of the Protomeric Tautomerism of 2hydroxypyrimidine, 4-hydroxypyrimidine and their derivatives".
Journal of Physical Chemistry 1990, 94, 7021-7032.
31. Nowak, M.J.; Łapiński, L.; Rostkowska, H.; Leś, A.; Adamowicz, L.
"Theoretical and matrix isolation experimental study on 2(1H)pyridinethione/2-pyridinethiol".
Journal of Physical Chemistry 1990, 94 , 7406- 7414.
32. Nowak, M.J.; Łapiński, L.; Fulara, J.; Leś, A.; Adamowicz, L.
"Theoretical and infrared matrix isolation study on 4(3H)pyrimidinethione and 3(2H)-pyridazinethione. Tautomerism and
phototautomerism."
Journal of Physical Chemistry 1991, 95 , 2404.
33. Leś, A.; Adamowicz, L.
"Theoretical Study of Simple Electron Transfer Reactions
Involving Oxo Radicals and Anions."
Chemical Physics Letters 1990, 175 , 187.
34. Fulara, J.; Nowak, M.J.; Łapiński, L.; Leś, A.; Adamowicz, L.
"Theoretical and Matrix-Isolation Experimental Study of the
Infrared Spectra of 5-azauracil and 6-azauracil".
Spectrochimica Acta 1991, 47A, 595-613.
35. Leś, A.; Adamowicz, L.
"The correlated molecular electrostatic potential and electric
field of 2(1H)-pyrimidone and 2-hydroxypyrimidine."
Chemical Physics 1991, 153, 409-414 .
36. Saint-Martin, H.; Ortega-Blake, I.; Leś, A.; Adamowicz, L.
"Ab initio Calculations of the Pyrophosphate Hydrolysis
Reaction".
Biochimica et Biophysica Acta 1991, 1080, 205-214.
37. Leś, A.; Adamowicz, L.
3
"First-Order Correlation Orbitals for the MCSCF Zero-Order
Wavefunction".
Chemical Physics Letters 1991, 183, 483-490.
38. Łapiński, L.; Nowak, M.J.; Fulara, J.; Leś, A.; Adamowicz, L.
"Matrix Isolation IR Spectroscopy of Tautomeric Systems and
its Theoretical Interpretation. 2-Hydroxypyridine and
2(1H)-Pyridinone."
Journal of Physical Chemistry 1992, 96, 1562-1569.
39. Leś, A.; Adamowicz, L.; Nowak, M.J.; Łapiński, L.
"Theoretical interpretation of the gas phase equilibrium of
2-hydroxypyridine/2(1H)-pyridinone."
Journal of Molecular Structure (Theochem) 1992, 277, 313-327.
40. Łapiński, L.; Nowak, M.J.; Fulara, J.; Leś, A.; Adamowicz, L.
"Relation between structure and tautomerism in diazinones
and diazinethiones. An experimental matrix isolation and
theoretical ab initio study."
Journal of Physical Chemistry 1992, 96, 6250-6254.
41. Slanina, Z.; Leś, A.; Adamowicz, L.
"Dimerization in the pyridone/hydroxypyridine tautomeric systems:
Relative stabilities of the dimers in the 2-pyridone/2hydroxypyridine and in the 4-pyridone/4-hydroxypyridine systems."
Journal of Molecular Structure (THEOCHEM) 1992, 257, 491-498.
42. Leś, A.; Adamowicz, L.; Nowak, M.J.; Łapiński, L.
"The infrared spectra of matrix isolated uracil and thymine :
an assignment based on new theoretical calculations."
Spectrochimica Acta 1992, 48A, 1385-1395.
43. Rostkowska, H.; Nowak, M.J.; Łapiński, L.; Bretner, M.;
Kulikowski, T.; Leś, A.; Adamowicz, L.
"Theoretical and matrix-isolation experimental studies on
2-thiocytosine and 5-fluoro-2-thiocytosine."
Biochimica et Biophysica Acta 1993, 1172, 239-246.
44. Leś, A.; Adamowicz, L.; Rode, W.
"Structure and conformation of N(4)-hydroxycytosine and
N(4)-hydroxy-5-fluoro-cytosine. A theoretical ab initio study."
Biochimica et Biophysica Acta 1993, 1173, 39-48.
45. Leś, A.; Adamowicz, L.; Rode, W.
"Mechanism of thymidylate synthase inhibition by N -hydroxy
(N -hydroxy-5-fluoro)-dCMP in view of the structure and
conformation of N -hydroxy-(N -hydroxy-5-fluoro)-cytosine
calculated by the ab initio quantum mechanical methods."
Advances in Experimental and Medicinal Biology 1993, 338, 621-624
- wydawnictwo (książka) ma równoważny tytuł:
Chemistry and Biology of Pteridines and Folates
(Ayling J. E., Nair M. G., Baugh C. M., eds.), Plenum
Publishing Corp. : New York (1993), pp.621-624.
46. Łapiński, L.; Nowak, M.J.; Leś, A.; Adamowicz, L.
Ab initio Calculations of IR Spectra in Identification of
Products of Matrix Isolation Photochemistry : Dewar Form of
4(3H)-Pyrimidone."
Journal of the American Chemical Society 1994, 116, 1461-1467.
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47. Mordziński, A.; Kownacki, K.; Adamowicz, L.; Leś, A.; Langkilde, F.
Wilbrandt, R.
"Proton Transferring Systems Studied by Vibrational
Spectroscopy and Theoretical Ab Initio Calculations."
Journal of Physical Chemistry 1994 98, 5212-5220.
48. Jackowski, K.; Leś, A.
"GIAO-CHF calculations of NMR chemical shifts for some
N,N-dimethylacetamide derivatives using optimized geometries."
Journal of Molecular Structure (Theochem) 1995, 331, 295-299.
49. Maurin, J.K.; Leś, A.; Winnicka-Maurin, M.
"Resonance Assisted Hydrogen Bonds Between Oxime and Carboxyl
Group. A Comparison of Tetrameric Structures of 4-Methyl-2-OxoPentanoic Acid Oxime (I) and Levulinic Acid Oxime (II)."
Acta Crystallographica 1995, B51, 232-240.
50. Chilmonczyk, Z.; Leś, A.; Cybulski, J.; Kozioł, A.; Gdaniec, M.;
Woźniakowska, A.
"An Approach to Computer-Aided Modelling of Drug Specificity."
Journal of Medicinal Chemistry 1995, 38, 1701-1710.
51. Leś, A.; Adamowicz, L.; Nowak, M.J.; Łapiński, L.
"Concerted biprotonic tautomerism of 2-hydroxypyridine."
Journal of Molecular Structure (Theochem) 1994, 312, 157-166.
52. Saint-Martin, H.; Ortega-Blake, I.; Leś, A.; Adamowicz, L.
"The Role of Hydration in the Hydrolysis of Pyrophosphate.
A Monte Carlo Simulation with Polarizable-Type Interaction
Potentials."
Biochimica et Biophysica Acta 1994, 1207, 12-23.
53. Rostkowska, H.; Nowak, M.J.; Łapiński, L.; Bretner, M.;
Kulikowski, T.; Leś, A.; Adamowicz, L.
"Infrared spectra of 2-thiocytosine and 5-fluoro-2-thiocytosine;
experimental and ab initio studies."
Spectrochimica Acta 1993, 49A, 551-565.
54. Gutsev, G.; Leś, A.; Adamowicz, L.
"The electronic and geometrical structure of aluminum fluoride
anions AlFn , n=1-4, and electron affinity of their neutral
parents."
Journal of Chemical Physics 1994, 100, 8925-8933.
55. Slanina, Z.; Leś, A.; Adamowicz, L.
"The effects of temperature on the relative stabilities of
five complexes of 4-hydroxypyridine and water."
Thermochimica Acta 1993, 224, 13-18.
56. Slanina, Z.; Leś, A.; Adamowicz, L.
"Complexes of 2-aminopyrimidine, 2-hydroxypyrimidine
and their tautomers with water. Relative thermodynamic
stabilities."
Thermochimica Acta 1993, 228, 1-7.
5
57. Nowak, M.J.; Leś, A.; Adamowicz, L.
"Application of Ab Initio Quantum Mechanical Calculations
to Assign Matrix-Isolation IR Spectra of Oxopyrimidines."
Trends in Physical Chemistry (J. Menon, editor),
1995, 4, 137-168 : Council of Scientific Research Integration,
Datamate, Trivandrum, India.
58. Łapiński, L.; Nowak, M.J.; Leś, A.; Adamowicz, L.
"Comparison of ab initio HF/6-31G , HF/6-31G** and
MP2/6-31G** IR spectra of 4-pyrimidone tautomers with
matrix isolation spectra."
Vibrational Spectroscopy 1995, 8, 331-342,
59. Leś, A.; Adamowicz, L.
"Ab Initio Calculations of Biomolecules",
Proceedings of the CAM-94 Physics Meeting (edited by A. Zepeda),
AIP Conference Proceedings 342, American Institute of Physics, pp.190-201 ,
Woodbury : NewYork (1995).
60. Borowicz, P.; Grabowska, A.; Kaczmarek, Ł.; Leś, A.; Adamowicz, L.
Synthesis, photophysics and theoretical ab initio calculations
of a bizwitterionic compound modeling the phototautomer of
bipyridyl-diol."
Chemical Physics Letters 1995, 239, 282-289.
61. Rode W.; Leś, A.
Molecular mechanism of thymidylate synthase-catalysed reaction
and interaction of the enzyme with 2- and/or 4-substituted
analogues of dUMP and 5-fluoro-dUMP.
Acta Biochimica Polonica 1996, 43, 133-142.
62. Cybulski, J.; Chilmonczyk, Z.; Glice, M.; Cybulski, M.; Bajdor, K.; Leś, A.
Vibrational Spectrum of Buspirone,
Journal of Molecular Structure (Theochem) 1997, 404, 221-234.
63. Chilmonczyk, Z.; Cybulski, J.; SzelejewskaWoźniakowska, A.; Leś, A.
NMR studies of buspirone (an anxiolytic drug) analogues.
Journal of Molecular Structure 1996, 385, 195-207.
64. Borowicz, P.; Faurskov-Nielsen, O.; Christensen, D.H.; Adamowicz, L.; Leś, A.; Waluk, J.
"Vibrational spectroscopy of hydroxy-heterobiaryls. Low frequency modes of
2-(2-hydroxyphenyl)-3-pyridynol."
Journal of Molecular Structure 1997, 408/409, 363-366.
6
65. Dzik, J.M.; Zieliński, Z.; Jarmuła, A.; Michalski, R.; Rode, W.; Leś, A; Bretner, M.; Felczak, K.;
Kulikowski, T.
"Interactions of Thymidylate Synthase with 5-Hydroxy-dUMP and 5-Hydroxymethyl-dUMP,
and Their 4-Thio Analogues.", pp. 415-418.
Chemistry and Biology of Pteridines and Folates 1997, (Ed. W. Pfleiderer, H. Rokos), Proceedings of the
Eleventh International Symposium on Pteridines and Folates, Berchtesgaden, Germany, June 125-20, 1997,
Blackwell Science :Berlin.
66. Leś, A.; Adamowicz, L.; Rode, W.
"Modeling of Reaction Steps Relevant to deoxyuridylate (dUMP) enzymatic methylation
and thymidylate synthase mechanism-based inhibition.",
Journal of Biomolecular Structure and Dynamics 1998, 15, 703-715.
67. Jackowski, K.; Leś, A.; Dąmbska, A.; Adamowicz, L.
GIAO-CHF and experimental study of the substituent effects on 13C magnetic shielding in benzene derivatives.
Polish Journal of Chemistry 1998, 72, 1624-1629.
68. Chilmonczyk, Z.; Ksycińska, H.; Cybulski, J.; Rydzewski, M.; Leś, A.
"Direct separation of alpha-hydroxyacid enantiomers by ligand exchange chromatography."
Chirality 1998, 10, 821-830.
69. Glice, M.; Leś, A.; Bajdor, K.
" Infrared, Raman and Theoretical Ab initio RHF study of Aminoglutethimide - an anticancer drug."
Journal of Molecular Structure 1998, 450, 141-153.
70. Michalski, R.; Rode, W.; Leś, A.
" DerivFit: A Program for Rate Equation Parameter Fitting Using Derivatives."
Computers and Biomedical Research 1998, 31, 71-89.
71. Jarmuła, A.; Anulewicz, R.; Leś, A.; Cyrański, M.K.; Adamowicz, L.; Bretner, M.; Felczak, K.; Kulikowski,
T.; Krygowski, T.M.; Rode, W.
"Crystal structures of 5-fluoro-dUrd and its 2 and /or 4-thio analogues: modes of substituted dUMP pyrimidine
ring interacting with thymidylate synthase."
Biochimica et Biophysica Acta 1998, 1382, 277-286.
72. Jackowski, K.; Leś, A.; Bernatowicz, P.
Effects of Molecular Association on the NMR Shielding Constants in Methylamine,
Polish Journal of Chemistry 1998, 72, 527-533.
73. Borowicz, P.; Grabowska, A.; Leś, A.; Kaczmarek, Ł.; Zagrodzki,, B.
" New phototautomerizing systems. Non-symmetric derivatives of [2,2'-bipyridyl]-3,3'-diol."
Chemical Physics Letters 1998, 291, 351-359.
74. Jarmuła, A.; Cyrański, M.K.; Leś, A.; Krygowski, T.M.; Rode, W.
"Interaction of thymidylate synthase with 5-fluoro-substituted dUMP analogues in view of the pyrimidine ring
structure."
Polish Journal of Chemistry 1998, 72, 1958-1962.
7
75. Szelejewska-Woźniakowska, A.; Chilmonczyk, Z.; Leś, A.; Wawer, I.
" 13C CP (cross-polarization) MAS (magic angle spinning) NMR and GIAO-CHF calculations of buspirone
analogues. Part 1. 3a,4,7,7a-tetrahydro-2-{4-[4-(2-quinolyl)-1-piperazinyl]butyl}-4,7-ethane-1H-isoindole1,3(2H)-dione hydrochloride and hydrobromide."
Solid State Nuclear Magnetic Resonance 1998, 13, 63-70.
76. Bajdor, K.; Glice, M.M.; Leś, A.; Kołos, R.
"Vibrational Spectra of Glutethimide - from isolated molecules to solid state."
Journal of Molecular Structure 1999, 511-512, 107-116.
77. Borowicz, P.; Faurskov-Nielsen, O.; Christensen, D.H.; Adamowicz, L.; Leś, A.; Waluk, J.
"Vibrational spectroscopy of hydroxy-heterobiaryls. Low frequency modes.
Spectrochimica Acta 1998, A54, 1291-1305.
78. Bajdor, K.; Glice, M.M.; Leś, A.; Chilmonczyk, Z.; Cybulski, J.; Cybulski, M.
Struktura oscylacyjna złożonej cząsteczki leku anksjolitycznego (buspiron) zawierającej ugrupowanie
glutarimidowe i pirymidynylo-piperazynowe. Widma FT-IR i FT-Raman oraz obliczone teoretycznie metodami
chemii kwantowej, str. 128-135,
rozdział w książce "Metody i techniki pomiarowe w spektroskopii oscylacyjnej." (edytor: M. Handke, Cz.
Paluszkiewicz), Wydawnictwo Akapit, : Kraków, (1998).
79. Glice, M.M.; Leś, A.; Bajdor, K.
" Vibrational spectroscopy of selected drugs containing cyclic imide moiety."
Acta Poloniae Pharmaceutica – Drug Research 1999, 56 (Supplement) 56-59.
80. Krajewski, K.J.; Leś, A.; Cybulski, J.; Chilmonczyk, Z.; Bronowska, A.; Szelejewska-Woźniakowska, A.
"Novel buspirone-like 5-HT1A receptor ligands.",
Polish Journal of Chemistry 2001, 75, 71-78.
81. Bronowska, A.; Leś, A.; Mazgajska, M.; Chilmonczyk, Z.
"Conformational analysis and pharmacophore design for selected 1-(2-pyrimidinyl)piperazine derivatives with
sedative-hypnotic activity.",
Acta Poloniae Pharmaceutica – Drug Research 2001, 58, 79-86.
82. Szelejewska-Woźniakowska, A.; Chilmonczyk, Z.; Leś, A.; Wawer, I.
" 13C CP (cross-polarization) MAS (magic angle spinning) NMR and GIAO-CHF calculations of buspirone
analogues. Part 2. Hydrochlorides and perchlorates of 1-arylpiperazine-4-alkylimides."
Solid State Nuclear Magnetic Resonance 1999, 14, 59-75.
83. Jarmuła, A.; Leś, A.; Rode, W.
“Different Activities of 5-Hydroxy-dUMP and 5-Hydroxymethyl-dUMP in Thymidylate Synthase-Catalysed
Reaction in View of Molecular Modeling and Structural Studies.”
Bioorganic Chemistry 2000, 28, 156-162.
84. Danilov, V.I.; Leś, A.
“A theoretical study of the cytosine photohydrate tautomerism and a possible mechanism of UV-induced
mutagenesis.”
Polish Journal of Chemistry 2000, 74, 1311-1319.
8
85. Danilov, V.I.; Stewart, J.J.; Leś, A.; Alderfer, J.L.
“A theoretical study of pyrimidine photohydrates and a proposed mechanism for the mutagenic effect of
ultraviolet light.”
Chemical Physics Letters 2000, 328, 75-82.
86. Glice, M.M.; Bajdor, K.; Leś, A.; Stepanenko, T.; Nowak, M.J.; Aboul-Enein, H.Y.; Chilmonczyk, Z.
“Vibrational Spectroscopy of Cyclohexylaminoglutethimide in Low-Temperature Matrices, Solutions and the
Solid State.”
Journal of Molecular Structure 2000, 560, 137-149.
87. Chilmonczyk, Z.; Cybulski, M.; Iskra-Sopa, J.; Chojnacka-Wójcik, E.; Tatarczyńska, E.; Kłodzińska, A.;
Leś, A.; Bronowska, A.; Sylte, I.
“Interaction of 1,2,4-substituted piperazines, new serotonin receptor ligands, with 5-HT1A and 5-HT2A
receptors.”
Il Farmaco 2002, 57, 285-301.
88. Bronowska, A.; Chilmonczyk, Z.; Leś, A.; Edvardsen, O.; Oestensen, R.
“Molecular dynamics of 5-HT1A and 5-HT2A serotonin receptors with methylated buspirone analogues.
Journal of Computer Aided Molecular Design 2001, 15, 1005-1023.
89. Bronowska, A.; Leś, A.; Chilmonczyk, Z.; Filipek, S.; Edvardsen, O.; Ostensen, R.; Sylte, I.
„Molecular dynamics of buspirone analogues at the 5-HT1A and 5-HT2A serotonin receptors.”
Bioorganic and Medicinal Chemistry 2001, 9, 881-895.
90. Chilmonczyk, Z.; Cybulski, J.; Bronowska, A.; Leś, A.
„Molecular modeling of buspirone-serotonin receptor interactions.
Acta Poloniae Pharmaceutica – Drug Research 2000, 57, 281-288.
91. Kaczmarek, Ł.; Zagrodzki, B.; Kamieński, B.; Pietrzak, M.; Schilf, W.; Leś, A.
„Synthesis and NMR study of New derivatives of [2,2’-bipyridyl]-3,3’-diol and [2,2’-bipyridyl]-3-ol”
Journal of Molecular Structure 2000, 553, 61-72.
92. Bronowska, A.; Chilmonczyk, Z.; Leś, A.; Oestensen, R.; Edvardsen, O.; Sylte, I.
“Theoretical Models of Interactions Between Buspirone Analogues and 5-HT1A and 5-HT2A Serotonin
Receptor Subtypes”,
Acta Poloniae Pharmaceutica – Drug Research 2000, 57 (Supplement) 40-45.
93. Danilov V.I., Leś A., Alderfer, J.L.,
A Theoretical Study of the cis-syn Pyrimidine Dimers in the Gas Phase and Water Cluster and a TautomerBypass Mechanism for the Origin of UV-Induced Mutations,
Polish Journal of Chemistry 2001, 75, 1039-1049.
94. Danilov V.I., Leś A., Alderfer, J.L.,
A Theoretical Study of the cis-syn Pyrimidine Dimers in the Gas Phase and Water Cluster and a TautomerBypass Mechanism for the Origin of UV-Induced Mutations,
Journal of Biomolecular Structure and Dynamics 2001, 19, 179-191.
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95. Jackowski, K.; Leś, A.; Makulski, W.; Woźniak, K.
Influence of intermolecular interactions on nuclear magnetic shielding constans of OCS
Polish Journal of Chemistry 2002, 76 , 575-580.
96. Trzaskowski B., Leś A., Adamowicz L.,
Modelling of octahedral manganese II complexes with inorganic ligands : a problem with spin states
International Journal of Molecular Sciences 2003, 4, 503-511.
97. Trzaskowki B., Leś A., Adamowicz L., Gervay-Hague J.,
Design of candidates for inhibitors of solvolysis catalyzed by sialyl transferase
Annals of the Polish Chemical Society 2003, 1, 129-132
98. Jurkiewicz A., Leś A., Danilov V.I., Deriabina A.S., Gonzalez E., Poltev V.I.
The comparison of molecular mechanics and DFT computations for various mutual positions of guanine and
cytosine bases
Annals of the Polish Chemical Society 2003, 3, 884-888.
99. Poltev V.I., Danilov V.I., Leś A., Jurkiewicz A., Deriabina A.S., Gonzalez E.
Possible Configurations of Gua-Cyt DNA Base Dimers. Molecular Mechanics and Density Functional Theory
Computations (tytuł i cały artykuł w języku rosyjskim)
Biofizika (Moscow) 2003, 48, 821-829.
100. Jarmuła A., Cieplak P., Leś A., Rode W.
Relative free energies of binding to thymidylate synthase of 2- and/or 4-thio and.or 5-fluoro analogues of dUMP
Journal of Computer-Aided Molecular Design 2003, 17, 699-710.
101. Leś A., Pucko W., Szelejewski W.,
Optimization of the Reduction of a 5-Benzylidenethiazolidine-2,4-dione Derivative Supported by the Reaction
Response Surface Analysis: Synthesis of Pioglitazone Hydrochloride
Organic Process Research & Development 2004, 8, 157-162.
102. J. Martynow, M. Krupa, A. Leś, A. Kutner, W. Szelejewski,
Optimization of copper(I)-catalyzed 1,6-conjugate addition of a methyl group to 17β-acetoxy-4,6-estradien-3one,
Organic Process Research & Development 2004, 8, 846-851.
103. P. Borowicz, A. Leś, L. Adamowicz, J. Waluk,
Vibrational spectroscopy of hydroxy-heterobiaryls. IR-active modes of [2,2’-bipyridyl]-3,3’-diol
Photochemical & Photobiological Sciences 2005, 4, 143-148.
10
104. W. Wojciechowska, A. Kutner, A. Leś, W. Szelejewski,
Dehydration of egzo-hydroxymethyl group In androstane derivative; optimization and scale-up
Polish Journal of Applied Chemistry 2004, 57, 63-74.
105. U. Chmielowiec, A. Leś, W. Szelejewski,
Optimization and kinetic model of condensation of a secondary amine with a uracil derivative in the
synthesis of 2-[(1-carbethoxy-4-piperidinyl)(methyl)amino]-1H-pyrimidin-4-one
Acta Poloniae Pharmaceutica – Drug Research 2004, 102 Supplement, 90-92.
[106] A. Leś, W. Szelejewski,
Przem. Chem. 84 (2005) : 314-319.
Optymalizacja wybranych etapów syntez substancji farmaceutycznych
Przemysł Chemiczny 2005, 5, 314-319.
[107] B. Trzaskowski, F. Leonarski, A. Leś, L. Adamowicz,
J. Phys. Chem. B109 (2005): 17734-17742.
Modeling at interfaces. immobilization of microtubules on self-assembled monolayers.
Journal of Physical Chemistry B 2005, 109, 17734-17742.
[108] A. Mordziński, A. Leś, Y. Stepanenko, J. Rycombel, L. Adamowicz,
J. Mol. Spectr. 233 (2005): 98-109.
S0 and S1 spectroscopy of jet cooled 9-cyano-10-methylanthracene: The methyl group as a molecular rotor.
Journal of Molecular Spectroscopy 2005, 233, 98-109.
[109] B. Trzaskowski, S.G. Stepanian, A. Leś, P.A. Deymier, R. Guzman, L. Adamowicz,
J. Comp. Theor. Nanosi. 3 (2006): 775-784.
Iminodiacetate as a chelating agent for histidine: a theoretical study,
Journal of Computational and Theoretical Nanoscience, 3 (2006), 775-784.
[110] A. Leś, M. Kajl, W. Szelejewski,
Pol. J. Appl. Chem. 49 (2005): 195-203.
Preliminary optimization of direct amination of 1-(2,6-dimethylphenoxy)-2-propanol. Synthesis of 1-(2,6dimethylphenoxy)-2-aminopropane
Polish Journal of Applied Chemistry 2005, 49, 195-203
[111] W. Pucko, A. Leś, J. Ramza, J. Zagrodzka, G. Cieplucha, B. Cichy, W. Szelejewski,
Ind. Eng. Chem. Res. 45 (2006): 2962-2966.
Optimization of a key step of synthesis of L-acosamine and L-daunosamine,
Industrial & Engineering Chemistry Research 45 (2006), 2962-2966
[112] B. Trzaskowski, A. Leś, L. Adamowicz, P.A. Deymier, R. Guzman, S.G. Stepanian,
J. Comput. Theor. Nanosci. 2 (2005): 456-468.
Multilevel quantum chemistry approach to the development of a database of the SAM-ligand-metal ion-protein
interactions.
Journal of Computational and Theoretical Nanoscience 2005, 2, 456-468.
[113] A. Leś, A. Zaworska, O. Achmatowicz, W. Szelejewski, w książce Systemy Informacyjne w chemii – 3
(B. Dębska, G. Fic, red.), Oficyna Wydawnicza Politechniki Rzeszowskiej, Rzeszów 2006.
Modeling of reaction response in pharmaceutical synthesis, str. 115-118
w ksiazce (materialy konferencyjne): Systemy informacyjne w chemii 2006,
wydawnictwo Oficyna Wydawnicza Politechniki Rzeszowskiej,
Rzeszow 2006 (ISBN 83-7199-415-X, wydawnictwo recenzowane).
11
[114] B. Trzaskowski, A. Leś, A.F. Jalbout, L. Adamowicz, P.E.M. Siegbahn,
"Theoretical modeling of the nonenzymatic solvolysis of CMP-NeuAc in an acidic environment."
Journal of Molecular Structure THEOCHEM 820 2007 90-97
Impact Factor 1.016
[115] Ruman T. , Kusmierz A., Jurkiewicz A., Leś A., Rode W.
"The synthesis, reactivity and 1H NMR investigation on hydroxyborohydride anion."
Inorganic Chemistry Communications 10 2007 1074-1078
Impact Factor 1.787
[116] V. Poltev, V. M. Anisimov, V. I. Danilov, A. Deriabina, E. Gonzalez, A. Jurkiewicz, A. Leś, N. Polteva,
DFT study of B-like Conformation of Deoxydinucleoside Monophosphates containing Gua and/or Cyt and their
complexes with Na+ cation,
J. Biomol. Struct. Dynam. 25
2008
563-571
[117] Leś A., Szelejewski W.
"Optymalizacja i powiększenie skali syntez substancji farmaceutycznych."
Przemysł Chemiczny 86 2007 1174-1177
Impact Factor 0.429
[118] Bielejewska A., Duszczyk K., Kulig K., Malawska B., Mickiewicz M. , Leś A., Żukowski J.
"Influence of the mobile phase composition on chiral recognition of some pyrrolidin-2-ones in the liquid
chromatographic system with
polysaccaride stationary phases."
Journal of Chromatography A 1173 2007 52-57
Impact Factor 3.554
[119] dwa rozdziały w książce „Badania biodostępności i równoważności biologicznej. Organizacja. Metodyka.
Jakość. Dokumentacja” (A. Marzec, red.), Wydawnictwo OINPharma, Warszawa 2007, ISBN 83-919134-6-8.
"Analiza statystyczna w badaniach oceny równoważności biologicznej." oraz
"Statystyczne opracowanie wyników walidacji."
12
[120] Trzaskowski B. Leonarski F. Leś A. Adamowicz L.
Altering the Orientation of
Proteins on Self-Assembled Monolayers: A Computational Study
Biomacromolecules
9
2008 3239-3245
[121] Poltev V.I. Anisimov V.M. Danilov V. I. Deriabina A. Gonzalez E. Jurkiewicz A. Leś
A. Polteva N. DFT Study of B-like Conformations of Deoxydinucleoside Monophosphates
containing Gua and/or Cyt and their complexes with Na+ cation Journal of Biomolecular
Structure and Dynamics
25
2008 563-571
[122] Rudzki P. Leś A. Application of confidence intervals to bioanalytical metod validation
– drug stability in biological matrix testing
Acta Poloniae Pharmaceutica – Drug
Research
65
2008
743-747
[120] Trzaskowski B. Leonarski F. Leś A. Adamowicz L.
Altering the Orientation of
Proteins on Self-Assembled Monolayers: A Computational Study
Biomacromolecules
9
2008 3239-3245
[121] Poltev V.I. Anisimov V.M. Danilov V. I. Deriabina A. Gonzalez E. Jurkiewicz A. Leś
A. Polteva N. DFT Study of B-like Conformations of Deoxydinucleoside Monophosphates
containing Gua and/or Cyt and their complexes with Na+ cation Journal of Biomolecular
Structure and Dynamics
25
2008 563-571
[122] Rudzki P. Leś A. Application of confidence intervals to bioanalytical metod validation
– drug stability in biological matrix testing
Acta Poloniae Pharmaceutica – Drug
Research
65
2008
743-747
[123] Ruman T., Długopolska K., Jurkiewicz A., Kramarz D., Frączyk T., Leś A., Rode W.,
Letters in Organic Chemistry 6: 642-647 (2009)
„The synthesis, reactivity and NMR investigation on 15N-thiophosphoramidates”
[124] Ruman T., Długopolska K., Kuśmierz A., Jurkiewicz A., Leś A., Rode W.,
Bioorganic Chemistry 37: 65-69 (2009)
„Synthesis and NMR properties of novel 5,6-dihydroborauracil derivatives”
[125] Kukawska-Tarnawska B., Leś A., Dziembowska T., Rozwadowski Z. J.
Journal of Molecular Structure
928
(2009) 25-31
“Tautomeric forms of N-(5-nitrosalicylidene)-2-butylamine: Experimental and theoretical DFT study”
[126] Poltev V. I., Anisimov V. M., Danilov V. I., Deriabina A., Gonzalez E., Garcia D., Rivas F., Jurkiewicz
A., Leś A., Polteva N.
Journal of Molecular Structure THEOCHEM
912
(2009) 53-39.
DFT study of minimal fragments of nucleic acid single chain for explication of sequence dependence of DNA
duplex conformation
[127] Tomasz Ruman, Karolina Długopolska, Agata Jurkiewicz, Katarzyna Rydel, Andrzej Leś and Wojciech
Rode
"The synthesis and NMR investigation on novel boron derivatives of stavudine",
Bioorganic Chemistry (2010), 38(3), p. 87-91
[128] Tomasz Ruman, Karolina Długopolska, Agata Jurkiewicz, Dagmara Kramarz, Tomasz Frączyk, Joanna
Cieśla, Andrzej Leś, Zbigniew Szewczuk and Wojciech Rode
"Thiophosphorylation of free amino acids and enzyme protein by thiophosphoramidate ions"
Bioorganic Chemistry, 2010, vol 38 (2), p. 74-80.
13
[129] Hypothesis of a proton switch in QM/MM modelling of interaction of dUMP analogues with thymidylate
synthase
Fusaro, Massimo; Jurkiewicz, Agata; Jarmuła, Adam; Leś, Andrzej; Rode, Wojciech
Molecular Simulation, Volume 36, Number 13, November 2010 , pp. 1059-1066(8)
[130] Segmental motions of rat thymidylate synthase leading to half-the-sites behaviour.
M. Świniarska, A. Leś, W. Rode, J. Cieśla, C. Milan-Pacheco, I. Orgega Blake, N. Pastor,
Biopolymers,
93, 549-559 (2010).
[131] Optimization of aripiprazole synthesis
A. Leś, K. Badowska-Rosłonek, M. Łaszcz, A. Kamieńska-Duda, P. Baran, Ł. Kaczmarek
Acta Poloniae Pharmaceutica – Drug Research
67, 151-157 (2010).
14