Print

List of Publications

Written by Super User. Posted in Personal Information

COVERARTICLES 300916 2Peer-reviewed research articles

 

  • ResearcherID
    Total Articles in Publication List: 36
    Sum of the Times Cited: 373
    Average Citations per Article: 12.03
    h-index: 13
    Last update: December 2016

    1. Dimerization and conformation-related Free energy landscapes of dye-tagged Amyloid-β 12-28 linked to FRET experiments
      Alexander Kulesza, Steven Daly, Philippe Dugourd
      Phys. Chem. Chem. Phys. accepted manuscript (2017)

    2. Action-FRET of a Gaseous Protein
      Steven Daly, Geoffrey Knight, Mohamed Abdul Halim, Alexander Kulesza, Chang Min Choi, Fabien Chirot, Luke MacAleese, Rodolphe Antoine, Philippe Dugourd
      J. Am. Soc. Mass Spectrom. 28, 38 (2017)

    3. Supramolecular influence on cis-trans isomerization probed by ion mobility spectrometry
      Izabella Czerwinska, Alexander Kulesza, Chang Min Choi, Fabien Chirot, Anne-Laure Simon, Johann Far, Christopher Kune, Edwin de Pauw, Philippe Dugourd
      Phys. Chem. Chem. Phys. 18, 32331 (2016)

    4. Chiral supramolecular gold-cysteine nanoparticles: Chiroptical and nonlinear optical properties
      Isabelle Russier-Antoine, Franck Bertorelle, Alexander Kulesza, Antonin Soleilhac, Amina Bensalah-Ledoux, Stephan Guy, Philippe Dugourd, Pierre-François Brevet, Rodolphe Antoine
      Progress in Natural Science: Materials International 26, 455 (2016)

    5. 3D Imaging of Nanoparticle Distribution in Biological Tissue by Laser-Induced Breakdown Spectroscopy
      Yilbert Gimenez, Benoit Busser, Florian Trichard, Alexander Kulesza, Jean-Michel Laurent, Véronique Zaun, François Lux, Jean-Michel Benoit, Gérard Panczer, Philippe Dugourd, Olivier Tillement, Frédéric Pelascini, Lucie Sancey, Vincent Motto-Ros
      Scientific Reports 6, 29936 (2016)

    6. Excited States of Xanthene-Analogues: Photofragmentation and Calculations by CC2 and TDDFT
      Alexander Kulesza, Evgenii Titov, Steven Daly, Radosław Włodarczyk, Jörg Megow, Peter Saalfrank, Chang Min Choi, Luke MacAleese, Rodolphe Antoine, Philippe Dugourd
      ChemPhysChem 17, 3129 (2016)
      Link to Front Cover; ChemPhysChem, 17, 2950 (2016)
      Link to Cover profile; ChemPhysChem, 17, 2951 (2016)

    7. The Gas-Phase Photophysics of Eosin Y and its Maleimide Conjugate
      Steven Daly, Alexander Kulesza, Geoffrey Knight, Luke MacAleese, Rodolphe Antoine, Philippe Dugourd
      J. Phys. Chem. A, 120, 3484 (2016)

    8. Sequential Proton Coupled Electron Transfer (PCET): Dynamics Observed over 8 Orders of Magnitude in Time
      Luke MacAleese, Sylvain Hermelin, Krystel El Hage, Pierre Chouzenoux, Alexander Kulesza, Rodolphe Antoine, Luigi Bonacina, Markus Meuwly, Jean-Pierre Wolf, Philippe Dugourd
      J. Am. Chem. Soc., 138, 4401 (2016)

    9. The structure of chromophore-grafted Amyloid-β12-28 dimers in the gas-phase: FRET-experiments guided modelling
      Alexander Kulesza, Steven Daly, Chang Min Choi, Anne-Laure Simon, Fabien Chirot, Luke MacAleese, Rodolphe Antoine, Philippe Dugourd
      Phys. Chem. Chem. Phys., 18, 9061 (2016)

    10. Charge, Color and Conformation: Spectroscopy on isomer selected peptide ions
      Chang Min Choi, Anne-Laure Simon, Fabien Chirot, Alexander Kulesza, Geoffrey Knight, Steven Daly, Luke MacAleese, Rodolphe Antoine, Philippe Dugourd
      J. Phys. Chem. B, 120, 709 (2016)

    11. A mixed quantum-classical description of pheophorbide-a linear absorption spectra: quantum-corrections of the Qy - and Qy -absorption vibrational satellites
      Jörg Megow, Alexander Kulesza, Volkhard May
      Chem. Phys. Lett., 643, 61-65 (2016)

    12. Visible and ultraviolet spectroscopy of gas phase Rhodamine 575 cations.
      Steven Daly, Alexander Kulesza , Geoffrey Knight, Luke MacAleese, Rodolphe Antoine, Philippe Dugourd
      J. Phys. Chem. A 119, 5634-5641 (2015)

    13. Structural exploration and Förster theory modeling for the interpretation of gas-phase FRET measurements: Chromophore-grafted Amyloid-β peptides
      Alexander Kulesza, Steven Daly, Luke MacAleese, Rodolphe Antoine, Philippe Dugourd
      J. Chem. Phys. 143, 025101 (2015)
      Fulltext on ResearchGate

    14. Conformational changes in Amyloid-Beta (12-28) alloforms studied using action-FRET, IMS and molecular dynamics simulations.
      Steven Daly, Alexander Kulesza, Frédéric Poussigue, Anne-Laure Simon, Chang Min Choi, Geoffrey Knight, Fabien Chirot, Luke MacAleese, Rodolphe Antoine, Philippe Dugourd
      Chem. Sci. 6, 5040 (2015)

    15. Gas-phase conformations of capistruin - comparison of lasso, branched-cyclic and linear topologies
      Kevin Jeanne Dit Fouque, Hélène Lavanant, Séverine Zirah, Jérôme Lemoine, Sylvie Rebuffat, Jean-Claude Tabet, Alexander Kulesza, Carlos Afonso, Philippe Dugourd, Fabien Chirot
      Rapid. Commun. Mass Spectrom.
      29, 1411-1419 (2015)

    16. Influence of key amino acid mutation on local structural features and folding of Acetyl-CoA synthase: a theoretical perspective
      Claudio Greco, Antonella Ciancetta, Maurizio Bruschi, Alexander Kulesza, Giorgio Moro, Ugo Cosentino
      Chem. Commun. 51, 8551-8554 (2015)

    17. Tuning Structural and Optical Properties of Thiolate-Protected Silver Clusters by Formation of a Silver Core with Confined Electrons
      Lars Gell, Alexander Kulesza, Jens Petersen, Merle I. S. Röhr, Roland Mitrić, Vlasta Bonačić-Koutecký
      J. Phys. Chem C 117, 14824-14831 (2013)

    18. Synthesis,Characterization and Optical Properties of Low Nuclearity Liganded Silver Clusters: Ag31(SG)19 and Ag15(SG)11
      Franck Bertorelle, Ramzi Hamouda, Driss Rayane, Michel Broyer, Rodolphe Antoine, Philippe Dugourd, Lars Gell, Alexander Kulesza, Roland Mitrić, Vlasta Bonačić-Koutecký
      Nanoscale 5 , 5637-5643 (2013)

    19. Silver cluster-biomolecule hybrids: from basics towards sensors (Perspective)
      Vlasta Bonačić-Koutecký, Alexander Kulesza, Lars Gell, Roland Mitrić, Rodolphe Antoine, Franck Bertorelle , Ramzi Hamouda, Driss Rayane, Michel Broyer, Thibault Tabarin, Philippe Dugourd
      Phys. Chem. Chem. Phys.,14, 9282-9290 (2012)
      Link to the Cover

    20. Theoretical Study of Structural and Optical Properties of Noble metal Cluster-Dipeptide Hybrids at Defect Centers of MgO
      Alexander Kulesza, Roland Mitrić, Vlasta Bonačić-Koutecký
      Phys. Chem. Chem. Phys.,14, 9330-9335 (2012)

    21. 2p core-level binding energies of size-selected free silicon clusters: Chemical shifts and cluster structure
      M. Vogel, C. Kasigkeit, K. Hirsch, A. Langenberg, J. Rittmann, V. Zamudio-Bayer, A. Kulesza, R. Mitrić, T. Möller, B. v. Issendorff, J. T. Lau
      Phys. Rev. B
      85, 195454 (2012)

    22. Binding motifs of silver in prion octarepeat model peptides: a joint ion mobility, IR and UV spectroscopies, and theoretical approach
      Bruno Bellina, Isabelle Compagnon, Luke MacAleese, Fabien Chirot, Jérôme Lemoine, Philippe Maitre, Michel Broyer, Rodolphe Antoine, Alexander Kulesza , Roland Mitrić, Vlasta Bonačić-Koutecký, Philippe Dugourd
      Phys. Chem. Chem. Phys.14, 11433-11440 (2012)

    23. Transient Absorption Spectra of Excitation Energy Transfer in Supramolecular Complexes: A Mixed Quantum-Classical Description of Pheophorbide-a Systems
      Jörg Megow, Yaroslav Zelinskyy, Beate Röder, Alexander Kulesza,  Roland Mitrić, Volkhard May
      Chem. Phys. Lett,
      522, 103 (2012)

    24. Unique optical properties of silver cluster-biochromophore hybrids: Comparison with copper and gold
      Alexander Kulesza , Roland Mitrić, Vlasta Bonačić-Koutecký
      Chemical Physics Letters
      501, 211-214 (2011)

    25. Doubly Charged Silver Clusters Stabilized by Tryptophan: Ag42+ as an Optical Marker for Monitoring Particle Growth
      Alexander Kulesza, Roland Mitrić, Vlasta Bonačić-Koutecký, Bruno Bellina, Isabelle Compagnon, Michel Broyer, Rodolphe Antoine, Philippe Dugourd
      Angew. Chem. Int. Ed
      , 50, 878 (2011)

    26. A Mixed Quantum-Classical Description of Excitation Energy Transfer in Supramolecular Complexes: Förster Theory and Beyond
      Jörg Megow, Beate Röder, Alexander Kulesza, Vlasta Bonačić-Koutecký, Volkhard May
      Chem. Phys. Chem
      12, 645 (2011)

    27. Gas Phase Synthesis and Vibronic Action Spectroscopy of Ag2H+
      Roland Mitric, Jens Petersen, Alexander  Kulesza, Merle Röhr, Vlasta Bonacic-Koutecky, Claire Brunet, Rodolphe Antoine, Philippe Dugourd, Michel Broyer, Richard O'Hair
      J. Phys. Chem. Lett. 2, 548–552 (2011)

    28. Structural and Photochemical Properties of Organosilver Reactive Intermediates MeAg2+ and PhAg2+
      Claire Brunet, Rodolphe Antoine, Michel Broyer, Philippe. Dugourd, Alexander Kulesza, Jens Petersen, Merle I. S. Röhr, Roland Mitrić, Vlasta Bonačić-Koutecký, Richard A. J. O’Hair
      J. Phys. Chem. A
      ,
      115, 9120 (2011)

    29. Structural and Optical Properties of Isolated Noble Metal-Glutathione Complexes. Insight into the Chemistry of Liganded Nanoclusters
      Bruno Bellina, Isabelle Compagnon, Franck Bertorelle, Michel Broyer, Rodolphe Antoine, Philippe Dugourd, Lars Gell, Alexander Kulesza, Roland Mitrić, Vlasta Bonačić-Koutecký
      J. Phys. Chem. C
      , 115, 24549 (2011)

    30. A harmonic approximation of intramolecular vibrations in a mixed quantum–classical methodology: Linear absorbance of a dissolved Pheophorbid-a molecule as an example
      Jörg Megow, Alexander Kulesza, Zheng-wang Qu, Thomas Ronneberg, Vlasta Bonačić-Koutecký, Volkhard May
      Chemical Physics
      377, 10-14 (2010)

    31. Experimental and theoretical study of the absorption properties of thiolated diamondoids
      Lasse Landt, Christoph Bostedt, David Wolter, Thomas Möller, Jeremy E. P. Dahl, Robert M. K. Carlson, Boryslav A. Tkachenko, Andrey A. Fokin, Peter R. Schreiner, Alexander Kulesza, Roland Mitrić, Vlasta Bonačić-Koutecký
      J. Chem. Phys.
      , 132, 144305 (2010)

    32. Gas-phase synthesis and intense visible absorption of tryptophan-gold cations
      Rodolphe Antoine, Franck Bertorelle, Michel Broyer, Isabelle Compagnon, Philippe Dugourd, Alexander Kulesza, Roland Mitrić, Vlasta Bonačić-Koutecký
      Angew. Chem. Int. Ed.
      , 48, 7829 (2009)

    33. Silver Cluster induced absorption enhancement and cornformation control of peptides
      Alexander Kulesza
      , Roland Mitrić, Vlasta Bonačić-Koutecký
      Eur. Phys. J. D
      , 52, 203 (2009)

    34. Silver Cluster Chromophores for Absorption Enhancement of Peptides
      Alexander Kulesza, Roland Mitrić, Vlasta Bonačić-Koutecký
      J. Phys. Chem. A
      , 113, 3783 (2009)

    35. Absorption Enhancement and Conformational Control of Peptides by Small Silver Clusters
      Thibault Tabarin, Alexander Kulesza, Rodolphe Antoine, Roland Mitrić, Michel Broyer, Philippe Dugourd, and Vlasta Bonačić-Koutecký
      Phys. Rev. Lett.
      101, 213001 (2008)
      Link to the Cover

    36. Absorption properties of cationic silver cluster–tryptophan complexes: A model for photoabsorption and photoemission enhancement in nanoparticle–biomolecule systems
      Roland Mitrić, Jens Petersen, Alexander Kulesza, Vlasta Bonačić-Koutecký, Thibault Tabarin, Isabelle Compagnon, Rodolphe Antoine, Michel Broyer, Philippe Dugourd
      Chem. Phys. 343, 372 (2008)

    37. Photoabsorption and photofragmentation of isolated cationic silver cluster−tryptophan hybrid systems
      Roland Mitrić, Jens Petersen, Alexander Kulesza, Vlasta Bonačić-Koutecký, Thibault Tabarin, Isabelle Compagnon, Rodolphe Antoine, Michel Broyer, Philippe Dugourd
      J. Chem. Phys 127,134301 (2007)

 

 Other Publications

    1. High speed development of new chemical synthesis and materials at molecular-level: Methods and approaches
      Alexander Kulesza,
      Kenta Stier, Marek P. Checinski
      Journal of Business Chemistry 216, 102 (2016)

    2. Acetyl-CoA synthase in Theory
      Claudio Greco, Antonella Ciancetta, Maurizio Bruschi, Alexander Kulesza, Giorgio Moro, Ugo Cosentino
      La Chimica e l'Industria (2014), 1

Print

Curriculum Vitae

Written by Super User. Posted in Personal Information

Professional

Since 03/2010
Joint founder and associate of the CreativeQuantum GmbH
05/2012-05/2015
Geschäftsführer/CTO of CreativeQuantum GmbH

Scientific

Since 06/2015
Postdoctoral researcher
in the group of P: Dugourd (Institut Lumière Matière UMR5306 CNRS Université Claude Bernard Lyon 1)

06/2014-05/2015
Postdoctoral research fellow
in the group of P: Dugourd (Institut Lumière Matière UMR5306 CNRS Université Claude Bernard Lyon 1)
DFG grant Ku 3251/1-1 "Towards an experimentally guided global method for protein structure prediction"
10/2013-12/2013
Visiting scientist
in the photobiophysics group of PD Dr. habil V. May (Humboldt-Univ. z. Berlin)
05/2010-04/2012
Scientific co-worker
in the group of Dr. R. Mitrić (Theoretical Physics,  Free Univ. Berlin)
05/2008-04/2010
Scientific co-worker
in the Theoretical Chemistry group of  Prof. Dr. Dr. h. c  V. Bonačić- Koutecký (Humboldt-Univ. z. Berlin)
06/2006-03/2008
Undergraduate scientific co-worker
in the Theoretical Chemistry group of  Prof. Dr. Dr. h. c  V. Bonačić- Koutecký (Humboldt-Univ. z. Berlin)

 


Education

29/10/2012
Dr. rer. nat. (magna cum laude; Department of Physics, Free University Berlin)
"Optical Properties of Metal Cluster-Biomolecule Hybrids: Basics and Aspects of Applications"

05/2010-04/2012
PhD Studies . Supervisor : Dr. R. Mitrić (Theoretical Physics, Free University Berlin)

05/2008-04/2010
PhD Studies . Supervisor : Prof. Dr. Dr. h. c. V. Bonačić-Koutecký (Department of  Chemistry, Humboldt-Universität zu Berlin)

30/04/2008
Dipl.-Chem. (Grade 1.1, Humboldt-Universität zu Berlin)

09/2003-03/2008
Chemistry studies at the Humboldt-Universität zu Berlin.

06/2002
Abitur at the Askanische Oberschule in Berlin


Conferences, Workshops, etc.

2015, Odense, Denmark
Computational Biophysics Workshop (12.10.2015 - 16.10.2015)

2014, Leipzig, Germany
3. Innovationskongress des VCI "nat
ürliche und synthetische Funktionsmaterialien"
Invited Talk: "Virtuelles Screening und Design funktioneller Materialien auf molekularer Ebene"

2013, Jena, Germany
DPI-workshop: High-throughput and combinatorial experimentation in polymer science
Oct 14-15 Jena Institute for Soft Matter
Invited talk: Virtual high-throughput screenings of functional polymers and materials for LED and battery applications

2013, Lyon, France
Europacat Lyon
Participant

2013, Helsinki, Finnland: Stabilized noble metal nanoparticles workshop
Talk:  "Metal cluster-biomolecule hybrid systems - Future applications in biosensing ?"

2013, Berlin (Bessy II):
Invited panelist in the open forum of the Wirtschaftsrat e.V about the "Start-Up-Hot Spot Adlershof"

2013, Frankfurt (Main): Workshop on Molecular Modelling and Simulation
Poster: "Quantum Chemical High-Throughput Screening in Applied Catalysis and Functional Chemicals Development"

2012, Berlin, Germany: Workshops on Business-Development
Participant in "Strategie von Preisverhandlungen" (3 Modules) and "Anbahnung und Umsetzung strategischer Partnerschaften" (1 Module 21.06.2012, speaker: Thomas Schröter, eventurecat GmbH)

2011, Rüdesheim am Rhein, Germany: Science4Life Gründerworkshop
Participant in the Gründerworkshop for the TOP5 Teams in the Science4Life venture Cup 2011

2011, Davos, Switzerland: Symposium on size selected clusters S3C
Poster : "Noble metal clusters as sensors for different environment: silver versus gold"

2011, Zürich, Switzerland: 2nd CP2K Tutorial  07.02.11-11.02.11
Participant in the 2nd CP2K Tutorial @ ETHZ

2011, Berlin,  Germany: 04.02.11 Colloquium of the Forschergruppe 1282
Talk: "Optical Properties of metal cluster hybrid systems"

2010, Honolulu, USA: Pacifichem2010
Talk : "Optical Properties of metal cluster - biomolecule and diamondoid hybrid systems"

2010, Magdeburg, Germany: Seminar Gründerpersönlichkeit
Participant in the seminar "Gründerpersönlichkeit" offered by Kienbaum Management Consultants GmbH

2009, Brand, Austria: Symposium on size selected clusters S3C
Poster : "Silver Cluster Chromophores: Absorption Enhancement and Conformational Control of Peptides"

2008, Berlin, Germany: Verhandlungen der Deutschen Physikalischen Gesellschaft
Poster : "Size-dependent Photoabsorption and Photoemission of Supported Silver Clusters and Silver Cluster-Biomolecule Hybrid Systems"

2007, Berlin, Germany: International Workshop on Spin- and Optoelectronics
Poster: "Photoabsorption and Photofragmentation of Isolated Cationic Silver Cluster-Tryptophan Hybrid systems"

Current Research Projects and Support

Non-MC Member of the COST Action CM1405
"Molecules in Motion" - MOLIM
2015 - 2019
Working group 3: ALGORITHM DEVELOPMENT AND HIGH-PERFORMANCE COMPUTING

Completed Research Projects 

SinPI: "Systematic ab-initio Investigation of Protein-imposed Influence in [NiFe]-hydrogenase fragments"
Collaborator of the high performance computing project  LI03p at the CINECA
with C. Greco, University Milan-Bicocca

"Towards an experimentally guided global method for protein structure prediction"
DFG  project Ku 3251/1-1
Link to DFG Gepris Page
with P. Dugourd CNRS et Université Lyon 1

 

Awards & "In-the-news"

Mit einem Quäntchen Informatik
2012: News article in the career magazine of the newspaper "Die Welt"

2011: 4th place in the Science4Life Venture Cup with CreativeQuantum GmbH 

2011: BPW-BB-2011: Winner of the sustainability award of the Businessplanwettbewerb Berlin-Brandenburg with CreativeQuantum GmbH

 

Contact Me

From 
Email 
Subject 
Your message 
Please enter the following obxoiiro Help us prevent SPAM!