Institute of Chemistry

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Institute of Chemistry Eötvös University
(ELTE) Budapest, Hungary www.chem.elte.hu
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Eötvös University (ELTE) from several point of
view, it is the first university in Hungary
1. The oldest continously existing university in
Hungary It was established in 1635 by Cardinal
Péter Pázmány. The original site was Nagyszombat
(today Trnava, Slovakia).
1777 The university moved to Buda. 1921 New
name Pázmány Péter University. 1950 Renamed to
Eötvös Loránd University. EÖTVÖS Loránd
(1848-1919), physicist
2. The largest university in Hungary 34000
students, 6000 staff
3. The first ranked university in Hungary in many
fields According to the assessment of Journal
HVG Rank 1 in Science according to the quality
of staff (publication activity) Rank 1 in Science
according to the quality of students (secondary
school performance)
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The Deed of Foundation
Nagyszombat (Trnava), 12 May, 1635
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The Founder
Archbishop Péter Pázmány
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Opening ceremony of the University in Buda
Castle 15 March, 1780
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Diploma Inaugurale, 1780
Faculty of Theology
Faculty of Law
Faculty of Medicine (1769)
Faculty of Philosophy
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Faculties of Eötvös University (ELTE) 2009
Faculty of Arts (1635)
Faculty of Law (1667)
Faculty of Science (1950)
Faculty of Elementary and Nursery School
Teachers (2002)
Faculty of Special Education (2002)
Faculty of Informatics (2003)
Faculty of Psychology (2003)
Faculty of Social Sciences (2003)
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Distribution of students by Faculty (34000
students)
Special education
Elementary and nursery school teachers
Law
Arts, Humanities
Informatics
Science
Psychology
Sociology
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Faculty of Law
Faculty of Arts
Faculty of Science
Faculty of Special Education
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The university holds the name of Loránd Eötvös
since 1950
Eötvös-law temperature dependence of surface
tension 1886
Torsion balance 1898 Lead to the discovery of
new oil fields
Loránd Eötvös (1848-1919)
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Registry of PhD exams, 1926
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Registry of PhD exams, 1926
NEUMANN János John von Neumann 1903 born in
Budapest 1921 enrolled the University of
Budapest 1926 PhD in mathematics in Budapest
(with minors in experimental physics and
chemistry) 1928 theory of games 1943 first
computer ENIAC 1957 died in the USA
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Registry of PhD exams, 1926
BAY Zoltán 1900 born in Gyulavári, Hungary 1918
enrolled the University of Budapest 1923 MSc in
Physics 1926 PhD in Physics in Budapest 1933
development of the first LED 1938 development of
electron multiplyer 1946 Moon-radar experiment
(in Budapest) 1948 left Hungary 1955 suggestion
of the current definition of meter based
on the frequency of light 1992 died in the USA
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1905 -
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Albert Szent-Györgyi 1937 Medicine
Fülöp Lénárd 1905 Physics
György Hevesy 1943 Chemistry
György Békésy1961 Medicine
János Harsányi 1994 Economy
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Albert Szent-Györgyi 1937 Medicine
Fülöp Lénárd 1905 Physics
György Hevesy 1943 Chemistry
LÉNÁRD Fülöp 1862 born in Pozsony, Hungary
(today Bratislava, Slovakia) 1980s studied
physics and chemistry at the
University of Budapest 1905 Nobel prize in
Physics for the study of cathode
rays 1947 died in Germany
György Békésy1961 Medicine
János Harsányi 1994 Economy
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Albert Szent-Györgyi 1937 Medicine
Fülöp Lénárd 1905 Physics
György Hevesy 1943 Chemistry
SZENT-GYÖRGYI Albert 1893 born in Budapest,
Hungary 1917 MD (medicine) at the University of
Budapest 1931 discovery of the Krebs-cycle,
vitamins C and P 1937 Nobel prize in Medicine for
the discovery of vitamin C 1945-47 Professor of
Biochemistry at the University of Budapest 1947
left Hungary 1986 died in the USA
György Békésy1961 Medicine
János Harsányi 1994 Economy
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Albert Szent-Györgyi 1937 Medicine
Fülöp Lénárd 1905 Physics
György Hevesy 1943 Chemistry
HEVESY György 1885 born in Budapest, Hungary
studied chemistry at the University of
Budapest (for one year) 1923 co-discoverer of
Hafnium 1943 Nobel prize in Chemistry for the
discovery of radioactive tracers 1966 died in
Germany
György Békésy1961 Medicine
János Harsányi 1994 Economy
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BÉKÉSY György 1899 born in Budapest,
Hungary 1923 PhD in Physics at the University of
Budapest 1924-46 work in the Hungarian
Telecommunication Research Institute studies in
acustics 1947 emigration to the USA 1961 Nobel
prize in Medicine for the discovery of the
physiology of hearing 1972 died in the USA
Albert Szent-Györgyi 1937 Medicine
Fülöp Lénárd 1905 Physics
György Hevesy 1943 Chemistry
György Békésy1961 Medicine
János Harsányi 1994 Economy
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1920 born in Budapest, Hungary 1944 MSc in
Pharmacy at the University of Budapest
also studied math and sociology 1947 PhD in
Sociology at the University of Budapest 1947-48
Associate Professor at the Institute of
Sociology 1950 emigration (Australia and
USA) 1994 Nobel prize in Econony for the study of
non-cooperative games (shared with Nash
and Selten) 2000 died in the USA
Albert Szent-Györgyi 1937 Medicine
Fülöp Lénárd 1905 Physics
György Hevesy 1943 Chemistry
György Békésy1961 Medicine
János Harsányi 1994 Economy
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Institute of Chemistrynear the National
Museumcca. 1880
Institute of Chemistryat the present
location2009

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Management of the Institute of
Chemistry Director Prof. Péter Surján Vice
Director for Education Prof. Gyozo Láng Vice
Director for Research Prof. Tamás
Turányi Education Department of Analytical
Chemistry Head of Department Prof. Gyula
Záray Department of Physical Chemistry Head of
Department Prof. András Baranyai Department of
Organic Chemistry Head of Department Prof.
András Perczel Department of Inorganic
Chemistry Head of Department Prof. Péter
Szalay Research 18 independent Research
Laboratories
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Institute of Chemistry 87 lecturers
including 20 Full Professors 4
Professor Emeritus 28 Associate
Professors Also, two research groups work in the
Institute with 23 other researchers financed by
the Hungarian Academy of Science.
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Research Laboratories in 2009
Joint Research and Training Laboratory on
Separation Techniques (EKOL) Laboratory for
Applied Syntesis (ASL) Laboratory for Chemical
Kinetics (RKL) Laboratory for Chiroptical
Structure Analysis (KSzL) Laboratory for
Speciation, Drug and Trace Analysis
(SGNL) Laboratory of Chemical Informatics
(KIL) Laboratory of Colloid and Supramolecular
Systems (KSzRL) Laboratory of Electrochemistry
and Electroanalytical Chemistry (EEL) Laboratory
of Environmental Chemistry and Bioanalytics
(KBL) Laboratory of Interfaces and Nanosize
Systems (HNL) Laboratory of Molecular
Spectroscopy (MSL) Laboratory of Nonlinear
Chemical Dynamics (NKDL) Laboratory of Nuclear
Chemistry (ML) Laboratory of Physical
Organometallic Chemistry (FFKL) Laboratory of
Theoretical Chemistry (EKL) Laboratory of Organic
Syntheses (SzSzL) Laboratory of Organosilicon
Chemistry (SzKL) Laboratory of Structural
Chemistry and Biology (SzBKL) HAS-ELTE Protein
Modelling Group
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Laboratory of Electrochemistry and Electroanalytic
al Chemistry (LEEAC)
Web http//www.chem.elte.hu
Head of the Laboratory Prof. György INZELT,
PhD, DSc e-mail inzeltgy_at_chem.elte.hu
Members Gyozo LÁNG, PhD, DSc Ákos KRISTON, PhD
student András RÓKA, dr.univ.associate
prof. Norbert SAS, MSc student József SZALMA,
dr. univ. assistant prof. Laura SZIRÁKI, PhD,
associate prof. Mária UJVÁRI, PhD, junior
research fellow Soma VESZTERGOM, BSc
student László KISS, PhD, DSc, prof. (retired)
Kálmán SZABÓ, PhD, DSc, prof. (retired)
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• Main reserch topics
• Conducting polymers,
• Electrocatalysis, electrochemical oscillations
• Electrochemical materials science, corrosion,
  composite materials, electroless alloy deposits
• Electrochemical transformations of organic
  compounds
• Solid state electrochemistry
• Fuel cells

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• Instrumentation
•  Potentiostats
•  Frequency analyzer, impedance
•  Bending-beam apparatus
•  Quartz-crystal nanobalance
•  Electrochemical STM-AFM
• Fuel-cell station

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Laboratory of MolecularSpectroscopyHead
Prof. Dr. Attila G. Császár, DSc
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Internal and associate members
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Principal goals of LMS

• Development of new theoretical and experimental
  methods and tools for structural studies
  employing high- and low-resolution molecular
  spectroscopy.
• Theoretical and experimental spectroscopic
  investigation of molecules and molecular
  complexes of special relevance for atmospheric
  chemistry (with special emphasis on the greenhous
  effect), astrochemistry, and biology.

Principal research techniques

• Infrared, Raman, VCD, and matrix isolation
  experimental molecular spectroscopy.
• Computational molecular spectroscopy, variational
  determination of rotational-vibrational spectra,
  assignation of high-resolution molecular spectra.
• Determination and utilization of accurate
  potential energy and property hypersurfaces.
• Quantum reaction dynamics.

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Interesting recent publications from the LMS

• Science 2003, 299, 539 development and
  application of a model (including, e.g.,
  relativistic and quantum electrodynamc effects)
  describing the absorption of the (atmospheric)
  water molecule with unprecedented accuracy
• Nature 2008, 453, 906 synthesis, spectroscopic
  structural investigation, and observation of
  quantum tunneling under the largest barrier to
  date for the HCOH radical sought for 80 years,
  and quantum chemical explanation of all
  observations
• Angew. Chem. Int. Ed. 2006, 45, 1775 development
  of the MI-VCD (matrix isolation vibrational
  circular dichroism) technique and its application

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Laboratory of Physical Organometallic Chemistry
Head of the Laboratory Prof. Tibor
PASINSZKI e-mail pasinszki_at_chem.elte.hu
Members Prof. László SZEPES Prof. Gábor
VASS
Main reserch topics Synthesis of
organometallic compounds using inert atmosphere
techniques Ultraviolet photoelectron
spectroscopy (UPS) Generation, spectroscopy, and
structure of unstable compounds Computational
chemistry
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Synthesis of organometallic compounds using
inert atmosphere techniques
Organometallic compounds are important reagents
and catalysts in various fields of chemistry,
thus they are very important for the industry.
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Ultraviolet photoelectron spectroscopy (UPS)
Determination of ionization potentials and
electronic structures of molecules provides
basic information for applications in related
fields of industry.
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Generation, spectroscopy, and structure of
unstable compounds
Although unstable molecules can not be stored at
ordinary conditions, they play a crucial role in
preparative chemistry. They are usually generated
in situ for preparative applications and for
spectroscopic characterizations. Unstable
molecules are very important for the industry for
producing various products.
Computational Chemistry
Theoretical chemistry is very important for the
industry. It provides information about the
structure, reactions, physical and chemical
properties of compounds. It can predict
reactivity and active sites of molecules.
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Laboratory of Organosilicon Chemistry
Head of the Laboratory Roland SZALAY,
PhD e-mail szalayr_at_chem.elte.hu
Members János ROHONCZY, PhD Gábor
PONGOR, PhD Dezso KNAUSZ, PhD Mária
MÖRTL, PhD Zsuzsa KOLOS, educator Szilvia
KÁRPÁTI, PhD student
Main reserch topics Silylation/desilylation
reactions as synthetic and derivatization tools
Generation of reactive intermediates from
organosilicon cmps Silyl carbamates as
synthons Coordination chemistry of potentially
bioactive organotin(IV) cmps Solid NMR
investigations
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The beginning Trimethylsilyl N,N-dimethylcarbamate
(DMCTMS) developed by D. Knausz et al. proved to
be a very efficient silylating agent
Silylation/desilylation reactions
E.g. catalytic silylation by trimethylsilyl
pyrrol-N-carboxylate for purpose of organic
syntheses and/or GC derivatizations
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Reactive intermediates
Regioselective trapping of the generated nitrene
Silyl carbamates as synthons
Reaction of nucleophilic derivs to give mixed
carbamic acid anhydrides
Coordination chemistry of organotin derivs
119mSn-Mössbauer and 119Sn-NMR study of
N-stannylated amide derivs
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J. Rohonczy Solid NMR Investigations
Hardware BRUKER 500 MHz NMR Spectrometer
4 mm and 7 mm X(H) MAS probes Methods
CP-MAS, MQMAS, other 1D and 2D experiments Samples
crystalline, amorphous and glassy powders,
gels, single crystals Research area
Alumino-silicate gels (27Al, 29Si),
borophosphate-glasses (11B, 31P),
Composite materials (13C, 87Rb, 51V, etc.)
Study of polymorphism of
pharmaceutical agents by 13C CP-MAS
27Al MQMAS test spectrum of Al2O3 and Al(NO3)3
11B NMR spectra of borophosphate glasses
13C CP-MAS NMR spectra of pharmaceutical agents
(CONFIDENTIAL)
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Laboratory for Chemical Kinetics
http//garfield.chem.elte.hu
Head of the Laboratory Prof. Tamás
TURÁNYI e-mail turanyi_at_chem.elte.hu
Internal members Prof. Erno
KESZEI e-mail keszei_at_chem.elte.hu Dr
. István Gy. ZSÉLY e-mail
zsigy_at_chem.elte.hu
Main research topics combustion
chemistry, atmospheric chemistry, femtochemistry,
enzyme kinetics, mechanism analysis and
reduction, development of deconvolution
methods, sensitivity analysis, uncertainty
analysis, simulation of reaction?diffusion systems
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High temperature gas-phase chemistry
Simulation, analysis and optimization of high
temperature technological processes. The
investigated systems include
Combustion processes Investigation of NO
production pathways I.Gy. Zsély et al.,
Int.J.Chem.Kinet., 40, 754-768(2008)
Pyrolytic systems Reduction of a large methane
partial oxydation mechanism T. Nagy, T.
Turányi, Combust. Flame, 156, 417428 (2009)
Plasma incineration Carbon tetrachloride
decomposition in oxidative RF thermal plasma T.
Kovács et al., Plasma Chem Plasma Phys., 26,
293-318 (2006)
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Atmospheric chemistry, air quality modelling
Simulation of the spread of air pollution, air
quality modelling, photooxidant formation,
interpretation of smog chamber experiments, analys
is of atmospheric chemical mechanisms.
Air quality modelling I. Lagzi et al.
Photochemical air pollutant formation in Hungary
using an adaptive gridding technique
Int.J. Environment and Pollution, 36, 44-58
(2009)
Interpretation of smog chamber experiments J.
Zádor et al Measurement and investigation of
chamber radical sources in the European
Photoreactor (EUPHORE) J. Atmos.Chem. 55,
147-166 (2006)
Effect of tropospheric ozone on the
environment I. Lagzi et al, Modelling ozone
fluxes over Hungary Atmos. Environment, 38,
6211-6222 (2004)
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Femtochemistry
Analysis and interpretation of ultrafast laser
photochemistry results
Model-free deconvolution using a genetic
algorithm reconstruction of the kinetic
information distorted
by convolution E. Keszei, Efficient model-free
deconvolution of measured femtosecond
kinetic data using a genetic algorithm, in
press J.Chemometr. 21 (2009)
Ultrafast DNA photochemistry study of the
excited states of DNA bases Á. Bányász, T.
Gustavsson, E. Keszei, R. Improta, D.
Markovitsi Effect of amino substitution
on the excited state dynamics of
uracil,  Photoch. Photobio. Sci., 7, 765-768
(2008)
Electron solvation dynamics study of electron
solvation in nonpolar media E. R. Barthel, I. B.
Martini, E. Keszei and B. J. Schwartz, Solvent
effects on the ultrafast dynamics and
spectroscopy of the charge-transfer-to-solvent
reaction of sodide, J. Chem. Phys. 118,
5916-5931 (2003)
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Enzyme kinetic networks, systems biology
Investigation of enzime kinetic networks using
mechanism analysis methods
Time-scale and dimension analysis of cellcycle
models Time scale and dimension analysis of a
budding yeast cell cycle model A. Lovrics et al.
, BMC BIOINFORMATICS 7 494 (2006)
Investigation of cellcycle models with local
sensitivity analysis and Monte Carlo
methods Analysis of a budding yeast cell cycle
model using the shapes of local sensitivity
functions A. Lovrics et al. , Int.J.Chem.Kinet.,
40, 710-720(2008) I. Pál et al., work in progress
SBML-based modelling of chemotaxis Simulations
using code Copasi and the SBML-SAT Matlab toolbox
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HAS-ELTE Protein Modelling Group
Web http//www.chem.elte.hu/departments/protmod/
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X-ray crystallography a guide in structure based
design of biologically active compounds

• Crystallographic studies on prolyl-oligopeptidase
  (co-operation Sanofi-Aventis)
• It degrades proline-containing neuropeptides
  involved in the processes of memory and learning,
  it is thought to be involved in depression and
  control of blood-pressure.
• R-Pro-(decarboxy-Pro) type inhibitors, study on
  structure-activity relationships
• The optimal length of the linker chain of the
  R-group depends on the shape of the group in the
  terminal position.

• Kanai K et al J Med Chem, 51, 7514-7522 (2008)

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Structure-function relationships by protein
crystallography and molecular modelling

• Crystallographic studies on C1-inhibitor
  (co-operation HAS Institute of Enzymology)
• A major downregulator of inflammatory processes
  in blood. Genetic deficiency of C1-inhibitor
  results in hereditary angioedema potentially
  lethal disease.
• The crystal structure helped identifying the
  heparin binding site of C1 inhibitor.
• Understanding the accelerating effect of heparin
  on the C1 inhibitor/protease reaction by a novel
  mechanism.

Sandwich mechanism the negatively charged
heparin (red) a compensates the positive charges
(blue) of the interacting proteins.

• Beinrohr L et al J Biol Chem 282 21100 - 21109
  (2007)

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Ligand binding of proteins at atomic level

• Crystallographic and NMR studies on
  calmodulin-antagonist complexes (co-operation
  HAS Institute of Enzymology)
• The complexes formed with small molecules of
  different molecular frames show differences in
  the residues involved in binding. Most of the
  contacts are hydrophobic. In contrast to the
  other two compounds, KAR-2 is not a competitive
  antagonist, which is explained based on the
  structure.

calmodulin/KAR-2 11 complex
calmodulin/TFP 12 complex
calmodulin/arylalkylamine 12 complex

• Horvath I et al J Biol Chem 280 8266-8274 (2005)
  
• Harmat V et al J. Mol Biol 297 747-755 (2000)
• Vértessy BG et al Proteins Struct Funct Gen 28
  131-134 (1997)

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NMR-studies on dynamics, structure and stability
of peptidic drug candidates

• Penetratin have a possible role in the transport
  of drug molecules to the nucleus. Structures of
  the natural and mutant forms (NMR) revealed
  structure-function relationships.
• TT-232 is a somatostatin-analogue in clinical
  phase. Solving the its structure in water
  solution served better understanding the
  mechanism of its action.

• Simon Á et al Biochem Biophys Res Comm 316
  1059-1064 (2004)
• Letoha T et al J Mol Recognit 16 272-279 (2003)
• Czajlik A et al J Pept Sci 8 151-171 (2002)

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Cloning, expression, and crystallization of
proteins

• Preparation and purification of protein samples
  by molecular biology methods for NMR methods and
  X-ray crystallography
• Isotope labelling
• Expression of oligopeptides and miniproteins in
  fusion systems (fusion partner ubiquitin or GFP)
• Crystallization using vapour diffusion methods
• High throughput crystallization using
  crystallization robot

Tc5b, a 20 residue miniprotein was expressed in
GFP fusion system for NMR spectroscopic studies
Crystals of a calmodulin complex, acylpeptide
hydrolase, and MASP-2 grown in hanging drops
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Synthesis of biologically active ferrocene
derivatives
Biologically active ferrocenyl-calcones and
ferrocenyl-pirazoles. Some compounds exhibited
remarkable antiproliferative effect against human
leukemia cells (HL-60) in vitro.
Ferrocenyl-substituated tiazolones,
1,3-tiazinones, pirimidones and imidazolones.

• Miklan Z et al Biopolymers (Pept. Sci.) 88
  108-114 (2007)
• Zsoldos-Mády V et al Chem Med Chem 11119-1125
  (2006)

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Chemical crystallographydetermining absolute
configuration, studies on molecular recognition,
structure-reactivity relationships
Metabolites of anti-parkinson drugs
(co-operation Sanofi-Aventis)
Aminopyridazinone regioisomers (co-operation
Semmelweis University, Budapest)
Structural basis of solid solution formation
during chiral resolution (co-operation
Sanofi-Aventis)

• Anwair MAS et al J. Agricult. Food. Chem. 51
  5262-5270 (2003)
• Barabas O et al Tetrahedron-Asymm.11, 4061 (2000)
• Simon K et al Acta Cryst C54 811-813 (1998)

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Selected references
Protein structure, dynamics and interactions
Gal P, Harmat V, Kocsis A, Bian T, Barna L,
Ambrus G, Vegh B, Balczer J, Sim RB, Naray-Szabo
G, Zavodszky P A true autoactivating enzyme -
Structural insight into mannose-binding
lectin-associated serine protease-2 activations
J Biol Chem 280, 33435-33444(2005)  impact
factor 5.854 number of citations 19
Wiles AP, Shaw G, Bright J, Perczel
A, Campbell ID, Barlow PN NMR studies of a
viral protein that mimics the regulators of
complement activation J Mol Biol 272,
253-265(1997)   impact factor 5.673
number of citations 90
Náray-Szabó G, Ferenczy GG Molecular
Electrostatics Chem Rew 95, 829-847(1995)
impact factor 14.513 number of citations
164 Perczel A, Hollósi M, Tusnády G, Fasman GD
Convex constraint analysis a natural
deconvolution of circular dichroism curves of
proteins. Protein Eng 4, 669-679(1991) 
impact factor 3.224 number of
citations 246 Warshel A, Náray-Szabó G,
Sussman F, Hwang JK How do serine preoteases
really work Biochemistry 28, 3629-3637(1989) i
mpact factor 4.240 number of citations
321
Protein building blocks
Perczel A, Hudaky P, Palfi VK Dead-end street of
protein folding Thermodynamic rationale of
amyloid fibril formation J Am Chem Soc 129,
14959-14965(2007) impact factor 7.885
number of citations 7 Perczel A, Angyan JG,
Kajtar M, Viviani W, Rivail JL, Marcoccia JF,
Csizmadia IG Peptide models.1. Topology of
selected peptide conformational potential-energy
surfaces (glycine and alanine derivatives) J Am
Chem Soc 113, 6256-6265(1991)   impact
factor 4.585 number of citations 190

Synthesis and characterization of compounds with
biological activity
Wamhoff H, Hohmann C, Sohar P An efficient
synthesis of thioisomunchnones derived from
uracils and uridine Novel type of mesoionic
nucleosides Org Lett 2, 581-584(2000) impact
factor 3.367 number of citations
4 Stájer G, Csende F, Bernáth G, Sohár
P Preparation and steric structure of tricyclic
and tetracyclic saturated or partially saturated
1,3-heterocycles containing a saturated
isoindolone moiety Heterocycles 37,
883-890(1994) impact factor 0.982
number of citations 34
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For more information please contact us
Prof. Péter Surján director Institute of
Chemistry Eötvös Univesity (ELTE) address 1117
Budapest, Pázmány Péter sétány 1/A Hungary Phone
36 1 372 2458 Fax 36 1 372
2592 E-mail director_at_chem.elte.hu Web www.chem.e
lte.hu