Fotografi av Bo Durbeej

Bo Durbeej

Professor

Presentation

Min grupp forskar inom teoretisk kemi, med speciellt fokus på att designa mer effektiva molekylära motorer och switchar, förstå fotokemiska reaktionsmekanismer, klargöra hur fotosensoriska proteiner fungerar samt komma underfund med enzymers katalytiska förmåga. Dessutom utvecklar vi nya sätt att modellera molekyler i exciterade tillstånd med större tillförlitlighet.

Karriärsammanfattning

Efter att ha erhållit min doktorsexamen vid Uppsala universitet 2004 och varit postdoc vid University of Sydney 2005 och Università di Siena 2006, var jag Marie Curie Fellow i Siena 2007-2008 och forskare i Uppsala 2009, innan jag 2010 tillträdde en tjänst som LiU Research Fellow vid Linköpings universitet (som en av fyra utvalda bland ~100 sökanden). I Linköping blev jag antagen som docent 2011, och befordrades därefter till universitetslektor 2014, biträdande professor 2017 och professor 2019. 

Publikationer

ORCID ID

Web of Science

Scopus Author ID

Google Scholar ID

Handledda doktorander som huvudhandledare

Baswanth Oruganti (2012-2016), examen 2016-12-15

Olle Falklöf (2010-2015), examen 2015-12-18

Nyheter

CV

Kort CV

  • PhD, Uppsala University, 2004
  • Postdoctoral Fellow, University of Sydney, Australia, 2005
  • Postdoctoral Fellow, Università di Siena, Italy, 2006
  • Marie Curie Fellow, Università di Siena, Italy, 2007—2008
  • Researcher, Uppsala University, 2009—2010
  • LiU Research Fellow, Linköping University, 2010—2014
  • Docent, Linköping University, 2011
  • Senior Lecturer (Universitetslektor), Linköping University, 2014—2017
  • Associate Professor (Biträdande professor), Linköping University, 2017—2019
  • Professor, Linköping University, 2019—

Bidragsgivare

  • Swedish Research Council (VR), Postdoctoral Fellowship, 2006
  • EU, Marie Curie Fellowship, 2007—2008
  • Carl Trygger Foundation, 2009—2010
  • Linköping University (LiU Research Fellow), 2010—2014
  • Olle Engkvist Foundation, 2012—2014 
  • Swedish Research Council (VR), 2012—2015
  • Wenner-Gren Foundations, 2013-2015 (with Chang-Feng Fang)
  • Linköping University ("karriärkontrakt"), 2014—2019
  • Olle Engkvist Foundation, 2015—2017
  • Carl Trygger Foundation, 2016—2017  
  • Olle Engkvist Foundation, 2018—2019
  • Wenner-Gren Foundations, 2019
  • ÅForsk, 2020—2022
  • Swedish Research Council (VR), 2020—2023
  • Olle Engkvist Foundation, 2020—2023
  • Carl Trygger Foundation, 2021—2023
  • Carl Trygger Foundation, 2022—2024

Publikationer

2024

Enrique Manuel Arpa Gonzalez, Sven Stafström, Bo Durbeej (2024) Photochemical formation of the elusive Dewar isomers of aromatic systems: why are substituted azaborines different? Physical Chemistry, Chemical Physics - PCCP (Artikel i tidskrift) Vidare till DOI
T. Thillaiarasi, Durga Sravanakumar Perumalla, Baswanth Oruganti, Bo Durbeej (2024) Polycyclic Heteroaromatic p-Linkers Provide Dithienylethene Switches with Favorable Thermal and Photochemical Properties for Solar-Energy Storage ChemPhotoChem (Artikel i tidskrift) Vidare till DOI
Enrique Manuel Arpa González, Sven Stafström, Bo Durbeej (2024) A Proof-of-Principle Design for Through-Space Transmission of Unidirectional Rotary Motion by Molecular Photogears Chemistry - A European Journal, Vol. 30, Artikel e202303191 (Artikel i tidskrift) Vidare till DOI

2023

Peter Pal Kalapos, Attila Kunfi, Marcell M. Bogner, Tamas Holczbauer, Michal Andrzej Kochman, Bo Durbeej, Gabor London (2023) Salicylideneaniline/Dithienylethene Hybrid Molecular Switches: Design, Synthesis, and Photochromism Journal of Organic Chemistry, Vol. 89, s. 16-26 (Artikel i tidskrift) Vidare till DOI
Henrik Ottosson, Bo Durbeej, Miquel Sola (2023) Excited-state aromaticity and antiaromaticity special issue Journal of Physical Organic Chemistry, Vol. 36, Artikel e4468 (Artikel i tidskrift) Vidare till DOI
Javier Corpas, Miguel Gomez-Mendoza, Enrique Manuel Arpa Gonzalez, Victor A. de la Pena OShea, Bo Durbeej, Juan C. Carretero, Pablo Mauleon, Ramon Gomez Arrayas (2023) Iterative Dual-Metal and Energy Transfer Catalysis Enables Stereodivergence in Alkyne Difunctionalization: Carboboration as Case Study ACS Catalysis, Vol. 13, s. 14914-14927 (Artikel i tidskrift) Vidare till DOI
Enrique Manuel Arpa Gonzalez, Bo Durbeej (2023) HOMER: a reparameterization of the harmonic oscillator model of aromaticity (HOMA) for excited states Physical Chemistry, Chemical Physics - PCCP, Vol. 25, s. 16763-16771 (Artikel i tidskrift) Vidare till DOI
Enrique Manuel Arpa González, Bo Durbeej (2023) In Silico Design of Dihydroazulene/Vinylheptafulvene Photoswitches for Solar-Energy Storage Guided by an All-Around Performance Descriptor Chemistry−Methods, Vol. 3, Artikel e202200060 (Artikel i tidskrift) Vidare till DOI

2022

Jiezhao Lv, Changfeng Fang, Chengjie Zhu, Peng Sun, Yvonne Y. Li, Bo Durbeej, Xian Zhao, Lu Deng (2022) Numerical Investigation of the Stimulated Growth of Single-Crystal Fibers by Point-Effect-Induced Fluid Dynamics Crystal Growth & Design, Vol. 22, s. 7031-7039 (Artikel i tidskrift) Vidare till DOI
Baswanth Oruganti, Jun Wang, Bo Durbeej (2022) Modulating the Photocyclization Reactivity of Diarylethenes through Changes in the Excited-State Aromaticity of the it-Linker Journal of Organic Chemistry, Vol. 87, s. 11565-11571 (Artikel i tidskrift) Vidare till DOI
Michal Andrzej Kochman, Tomasz Gryber, Bo Durbeej, Adam Kubas (2022) Simulation and analysis of the relaxation dynamics of a photochromic furylfulgide Physical Chemistry, Chemical Physics - PCCP, Vol. 24, s. 18103-18118 (Artikel i tidskrift) Vidare till DOI
Peter Pal Kalapos, Peter J. Mayer, Tamas Gazdag, Attila Demeter, Baswanth Oruganti, Bo Durbeej, Gabor London (2022) Photoswitching of Local (Anti)Aromaticity in Biphenylene-Based Diarylethene Molecular Switches Journal of Organic Chemistry, Vol. 87, s. 9532-9542 (Artikel i tidskrift) Vidare till DOI
Michał Andrzej Kochman, Tomasz Gryber, Bo Durbeej, Adam Kubas (2022) Simulation and Analysis of the Relaxation Dynamics of a Photochromic Furylfulgide Physical Chemistry, Chemical Physics - PCCP, Vol. 24, s. 18103-18118 (Artikel i tidskrift) Vidare till DOI
Péter Pál Kalapos, Péter J. Mayer, Tamás Gazdag, Attila Demeter, Baswanth Oruganti, Bo Durbeej, Gábor London (2022) Photoswitching of Local (Anti)Aromaticity in Biphenylene-Based Diarylethene Molecular Switches The Journal of Organic Chemistry, Vol. 87, s. 9532-9542 (Artikel i tidskrift) Vidare till DOI
Enrique Manuel Arpa González, Bo Durbeej (2022) Transient changes in aromaticity and their effect on excited-state proton transfer reactions Physical Chemistry, Chemical Physics - PCCP, Vol. 24, s. 11496-11500 (Artikel i tidskrift) Vidare till DOI
Jun Wang, Bo Durbeej (2022) Thermal Fluctuations in Conjugation and their Effect on Calculated Excitation Energies: A Case Study on the Astaxanthin Carotenoid ChemPhotoChem, Vol. 6, Artikel e202100178 (Artikel i tidskrift) Vidare till DOI

2021

Michał Andrzej Kochman, Bo Durbeej, Adam Kubas (2021) Simulation and Analysis of the Transient Absorption Spectrum of 4-(N,N-Dimethylamino)benzonitrile (DMABN) in Acetonitrile Journal of Physical Chemistry A, Vol. 125, s. 8635-8648 (Artikel i tidskrift) Vidare till DOI
Jun Wang, Baswanth Oruganti, Bo Durbeej (2021) Computational Comparison of Chemical and Isotopic Approaches to Control the Photoisomerization Dynamics of Light-Driven Molecular Motors The Journal of Organic Chemistry, Vol. 86, s. 5552-5559 (Artikel i tidskrift) Vidare till DOI

2020

Jun Wang, Baswanth Oruganti, Bo Durbeej (2020) Unidirectional Rotary Motion in Isotopically Chiral Molecular Motors: A Computational Analysis Organic Letters, Vol. 22, s. 7113-7117 (Artikel i tidskrift) Vidare till DOI
Baswanth Oruganti, Péter Pál Kalapos, Varada Bhargav, Gábor London, Bo Durbeej (2020) Photoinduced Changes in Aromaticity Facilitate Electrocyclization of Dithienylbenzene Switches Journal of the American Chemical Society, Vol. 142, s. 13941-13953 (Artikel i tidskrift) Vidare till DOI
Bo Durbeej (2020) Competing Excited-State Deactivation Processes in Bacteriophytochromes Chemical Physics and Quantum Chemistry, s. 243-268 (Kapitel i bok, del av antologi) Vidare till DOI
Jun Wang, Bo Durbeej (2020) How accurate are TD-DFT excited-state geometries compared to DFT ground-state geometries? Journal of Computational Chemistry, Vol. 41, s. 1718-1729 (Artikel i tidskrift) Vidare till DOI
Michal Kochman, Bo Durbeej (2020) Simulating the Nonadiabatic Relaxation Dynamics of 4-(N,N-Dimethylamino)benzonitrile (DMABN) in Polar Solution Journal of Physical Chemistry A, Vol. 124, s. 2193-2206 (Artikel i tidskrift) Vidare till DOI

2019

Changfeng Fang, Bo Durbeej (2019) Calculation of Free-Energy Barriers with TD-DFT: A Case Study on Excited-State Proton Transfer in Indigo Journal of Physical Chemistry A, Vol. 123, s. 8485-8495 (Artikel i tidskrift) Vidare till DOI
Michal Kochman, Bo Durbeej (2019) Theoretical Study of Ground- and Excited-State Charge Transfer in Fulvene-Based Donor-Acceptor Systems Journal of Physical Chemistry A, Vol. 123, s. 6660-6673 (Artikel i tidskrift) Vidare till DOI
Jun Wang, Baswanth Oruganti, Bo Durbeej (2019) A Straightforward Route to Aromatic Excited States in Molecular Motors that Improves Photochemical Efficiency ChemPhotoChem, Vol. 3, s. 450-460 (Artikel i tidskrift) Vidare till DOI
Jun Wang, Bo Durbeej (2019) Molecular Motors with High Quantum Efficiency and Visible-Light Responsiveness: Meeting Two Challenges in One Design Computational and Theoretical Chemistry, Vol. 1148, s. 27-32 (Artikel i tidskrift) Vidare till DOI

2018

Jun Zhang, Jun Wang, Alexander Sandberg, Xiongyu Wu, Sofie Nyström, Harry III LeVine, Peter Konradsson, Per Hammarström, Bo Durbeej, Mikael Lindgren (2018) Intramolecular Proton and Charge Transfer of Pyrene-based trans-Stilbene Salicylic Acids Applied to Detection of Aggregated Proteins. ChemPhysChem, Vol. 19, s. 3001-3009 (Artikel i tidskrift) Vidare till DOI
Bo Durbeej, Jun Wang, Baswanth Oruganti (2018) Molecular Photoswitching Aided by Excited-State Aromaticity ChemPlusChem, Vol. 83, s. 958-967 (Artikel i tidskrift) Vidare till DOI
Jun Wang, Bo Durbeej (2018) Toward Fast and Efficient Visible-Light-Driven Molecular Motors: A Minimal Design ChemistryOpen, Vol. 7, s. 583-589 (Artikel i tidskrift) Vidare till DOI
Olle Falklöf, Bo Durbeej (2018) Computational Identification of Pyrrole Ring C as the Preferred Donor for Excited-State Proton Transfer in Bacteriophytochromes ChemPhotoChem, Vol. 2, s. 453-457 (Artikel i tidskrift) Vidare till DOI
Baswanth Oruganti, Jun Wang, Bo Durbeej (2018) Quantum chemical design of rotary molecular motors International Journal of Quantum Chemistry, Vol. 118, Artikel e25405 (Artikel, forskningsöversikt) Vidare till DOI

2017

Baswanth Oruganti, Jun Wang, Bo Durbeej (2017) Excited-State Aromaticity Improves Molecular Motors: A Computational Analysis Organic Letters, Vol. 19, s. 4818-4821 (Artikel i tidskrift) Vidare till DOI
Jun Wang, Baswanth Oruganti, Bo Durbeej (2017) Light-driven rotary molecular motors without point chirality: a minimal design Physical Chemistry, Chemical Physics - PCCP, Vol. 19, s. 6952-6956 (Artikel i tidskrift) Vidare till DOI

2016

Baswanth Oruganti, Jun Wang, Bo Durbeej (2016) Computational Insight to Improve the Thermal Isomerisation Performance of Overcrowded Alkene-Based Molecular Motors through Structural Redesign ChemPhysChem, Vol. 17, s. 3399-3408 (Artikel i tidskrift) Vidare till DOI
Baswanth Oruganti, Changfeng Fang, Bo Durbeej (2016) Assessment of a composite CC2/DFT procedure for calculating 0-€"0 excitation energies of organic molecules Molecular Physics, Vol. 114, s. 3448-3463 (Artikel i tidskrift) Vidare till DOI
Baswanth Oruganti, Bo Durbeej (2016) On the possibility to accelerate the thermal isomerizations of overcrowded alkene-based rotary molecular motors with electron-donating or electron-withdrawing substituents Journal of Molecular Modeling, Vol. 22, s. 219- (Artikel i tidskrift) Vidare till DOI
Olle Falklöf, Bo Durbeej (2016) Steric Effects Govern the Photoactivation of Phytochromes ChemPhysChem, Vol. 17, s. 954-957 (Artikel i tidskrift) Vidare till DOI

2015

Olle Falklöf, Bo Durbeej (2015) QM/MM Modeling Highlights the Importance of Steric Effects in the Photoactivation of a Bacteriophytochrome
Shamima Begum, Michele Cianci, Bo Durbeej, Olle Falklöf, Alfons Haedener, John R. Helliwell, Madeleine Helliwell, Andrew C. Regan, Ian F. Watt (2015) On the origin and variation of colors in lobster carapace Physical Chemistry, Chemical Physics - PCCP, Vol. 17, s. 16723-16732 (Artikel i tidskrift) Vidare till DOI
Olle Falklöf, Bo Durbeej, Patrick Norman (2015) Inter-Excited State Phosphorescence in the Four-Component Relativistic Kohn-Sham Approximation: A Case Study on Lumiflavin Journal of Physical Chemistry A, Vol. 119, s. 11911-11921 (Artikel i tidskrift) Vidare till DOI
Baswanth Oruganti, Changfeng Fang, Bo Durbeej (2015) Computational design of faster rotating second-generation light-driven molecular motors by control of steric effects Physical Chemistry, Chemical Physics - PCCP, Vol. 17, s. 21740-21751 (Artikel i tidskrift) Vidare till DOI

2014

Changfeng Fang, Baswanth Oruganti, Bo Durbeej (2014) How method-dependent are calculated differences between vertical, adiabatic, and 0-0 excitation energies? Journal of Physical Chemistry A, Vol. 118, s. 4157-4171 (Artikel i tidskrift) Vidare till DOI
Olle Falklöf, Bo Durbeej (2014) Distinguishing Between Keto-Enol and Acid-Base Forms of Firefly Oxyluciferin Through Calculation of Excited-State Equilibrium Constants Journal of Computational Chemistry, Vol. 35, s. 2184-2194 (Artikel i tidskrift) Vidare till DOI
Changfeng Fang, Baswanth Oruganti, Bo Durbeej (2014) Computational study of the working mechanism and rate acceleration of overcrowded alkene-based light-driven rotary molecular motors RSC Advances, Vol. 4, s. 10240-10251 (Artikel i tidskrift) Vidare till DOI

2013

Olle Falklöf, Bo Durbeej (2013) Red-light absorption and fluorescence of phytochrome chromophores: a comparative theoretical study Chemical Physics, Vol. 425, s. 19-28 (Artikel i tidskrift) Vidare till DOI
Olle Falklöf, Bo Durbeej (2013) Modeling of phytochrome absorption spectra Journal of Computational Chemistry, Vol. 34, s. 1363-1374 (Artikel i tidskrift) Vidare till DOI
Olle Falklöf, Bo Durbeej (2013) Deciphering Excited-State Protonation and Tautomeric States of Oxyluciferin through Calculation of Excited-State Equilibrium Constants

2012

Denis Bucher, Gregory M Sandala, Bo Durbeej, Leo Radom, David M Smith (2012) The elusive 5'-deoxyadenosyl radical in coenzyme-B12-mediated reactions Journal of the American Chemical Society, Vol. 134, s. 1591-1599 (Artikel i tidskrift) Vidare till DOI
Malin Uppsten, Bo Durbeej (2012) Quantum chemical comparison of vertical, adiabatic, and 0-0 excitation energies: The PYP and GFP chromophores Journal of Computational Chemistry, Vol. 33, s. 1892-1901 (Artikel i tidskrift) Vidare till DOI
Bo Durbeej (2012) A computational perspective on the photochemistry of photosensory proteins: phytochromes and Anabaena sensory rhodopsin Quantum Simulations of Materials and Biological Systems, s. 169-194 (Kapitel i bok, del av antologi) Vidare till DOI

2011

Angela Strambi, Bo Durbeej (2011) Initial excited-state relaxation of the bilin chromophores of phytochromes: a computational study PHOTOCHEMICAL and PHOTOBIOLOGICAL SCIENCES, Vol. 10, s. 569-579 (Artikel i tidskrift) Vidare till DOI

2010

Angela Strambi, Bo Durbeej, Nicolas Ferre, Massimo Olivucci (2010) Anabaena sensory rhodopsin is a light-driven unidirectional rotor Proceedings of the National Academy of Sciences of the United States of America, Vol. 107, s. 21322-21326 (Artikel i tidskrift) Vidare till DOI

2009

Bo Durbeej (2009) On the primary event of phytochrome: quantum chemical comparison of photoreactions at C4, C10 and C15 Physical Chemistry, Chemical Physics - PCCP, Vol. 11, s. 1354-1361 (Artikel i tidskrift) Vidare till DOI
Bo Durbeej, Gregory M Sandala, Denis Bucher, David M. Smith, Leo Radom (2009) On the importance of ribose orientation in the substrate activation of coenzyme B12-dependent mutases Chemistry - A European Journal, Vol. 15, s. 8578-8585 (Artikel i tidskrift) Vidare till DOI
Angela Strambi, Bo Durbeej (2009) Excited-state modeling of the astaxanthin dimer predicts a minor contribution from exciton coupling to the bathochromic shift in crustacyanin Journal of Physical Chemistry B, Vol. 113, s. 5311-5317 (Artikel i tidskrift) Vidare till DOI

2008

O. Anders Borg, Bo Durbeej (2008) Which factors determine the acidity of the phytochromobilin chromophore of plant phytochrome? Physical Chemistry, Chemical Physics - PCCP, Vol. 10, s. 2528-2537 (Artikel i tidskrift) Vidare till DOI

2007

O. Anders Borg, Bo Durbeej (2007) Relative ground and excited-state pKa values of phytochromobilin in the photoactivation of phytochrome: a computational study Journal of Physical Chemistry B, Vol. 111, s. 11554-11565 (Artikel i tidskrift) Vidare till DOI
O. Anders Borg, Leif A. Eriksson, Bo Durbeej (2007) Electron-transfer induced repair of 6-4 photoproducts in DNA: a computational study Journal of Physical Chemistry A, Vol. 111, s. 2351-2361 (Artikel i tidskrift) Vidare till DOI

2006

Bo Durbeej, Leif A. Eriksson (2006) Protein-bound chromophores astaxanthin and phytochromobilin: excited state quantum chemical studies Physical Chemistry, Chemical Physics - PCCP, Vol. 8, s. 4053-4071 (Artikel i tidskrift) Vidare till DOI

2005

Bo Durbeej, Leif A. Eriksson (2005) Photodegradation of substituted stilbene compounds: what colors aging paper yellow? Journal of Physical Chemistry A, Vol. 109, s. 5677-5682 (Artikel i tidskrift) Vidare till DOI
Bo Durbeej, O. Anders Borg, Leif A Eriksson (2005) Computational evidence in favor of a protonated chromophore in the photoactivation of phytochrome Chemical Physics Letters, Vol. 416, s. 83-88 (Artikel i tidskrift) Vidare till DOI

2004

Bo Durbeej, O. Anders Borg, Leif A Eriksson (2004) Phytochromobilin C15-Z,syn → C15-E,anti isomerization: concerted or stepwise? Physical Chemistry, Chemical Physics - PCCP, Vol. 6, s. 5066-5073 (Artikel i tidskrift) Vidare till DOI
Bo Durbeej, Leif A Eriksson (2004) Conformational dependence of the electronic absorption by astaxanthin and its implications for the bathochromic shift in crustacyanin Physical Chemistry, Chemical Physics - PCCP, Vol. 6, s. 4190-4198 (Artikel i tidskrift) Vidare till DOI

2003

Bo Durbeej, Leif A. Eriksson (2003) Spin distribution in dehydrogenated coniferyl alcohol and associated dilignol radicals Holzforschung, Vol. 57, s. 59-61 (Artikel i tidskrift) Vidare till DOI
Bo Durbeej, Leif A. Eriksson (2003) On the formation of cyclobutane pyrimidine dimers in UV-irradiated DNA: why are thymines more reactive? Photochemistry and Photobiology, Vol. 78, s. 159-167 (Artikel i tidskrift) Vidare till DOI
Bo Durbeej, Leif A. Eriksson (2003) On the bathochromic shift of the absorption by astaxanthin in crustacyanin: a quantum chemical study Chemical Physics Letters, Vol. 375, s. 30-38 (Artikel i tidskrift)
Bo Durbeej, Yan-Ni Wang, Leif A. Eriksson (2003) Lignin biosynthesis and degradation − a major challenge for computational chemistry High Performance Computing for Computational Science — VECPAR 2002, s. 137-165 (Konferensbidrag) Vidare till DOI
Bo Durbeej, Leif A. Eriksson (2003) Formation of β-O-4 lignin models - a theoretical study Holzforschung, Vol. 57, s. 466-478 (Artikel i tidskrift) Vidare till DOI
Bo Durbeej, Leif A. Eriksson (2003) A density functional theory study of coniferyl alcohol intermonomeric cross linkages in lignin - three-dimensional structures, stabilities and the thermodynamic control hypothesis Holzforschung, Vol. 57, s. 150-164 (Artikel i tidskrift) Vidare till DOI

2002

Bo Durbeej, Leif A. Eriksson (2002) Reaction mechanism of thymine dimer formation in DNA induced by UV light Journal of Photochemistry and Photobiology A: Chemistry, Vol. 152, s. 95-101 (Artikel i tidskrift)

2000

Bo Durbeej, Leif A. Eriksson (2000) Thermodynamics of the photoenzymic repair mechanism studied by density functional theory Journal of the American Chemical Society, Vol. 122, s. 10126-10132 (Artikel i tidskrift) Vidare till DOI

Teoretisk kemi

Gruppmedlemmar