Per-Olof Westlund

Main interest: To understand the description of open QM systems. To use the Stochastic Liouville Equation in Theoretical and Physical Chemistry describing relaxation in NMR-spectroscopy.

Kontakt

per-olof.westlund@umu.se

090-786 63 44, 070-568 57 79

Verksam vid

Anknuten som professor emeritus till Kemiska institutionen

KB.A4, Linnaeus väg 10 Umeå universitet, 901 87 Umeå

Per-Olof Westlund: Analysis of disentanglement in open QM systems and the use of SLE in chemistry.
The Stochastic Liouville Equation SLE: the starting point of choice for analysis of open QM systems in the semi-classical approach.
SLE treats the impact of a classical system on a QM subsystem when studied by different spectroscopic methods such as NMR ,EPR or fluorescence.

Below three ongoing projects 2020
1.The interpretation of the famous Stern-Gerlach experiment and its use in the Einstein-Podolsky-Rosen(EPR) paradox reformulated by D. Bohm.
2.The motion of water( or biomolecules) in micro-heterogenous systems and its influence on their NMR line-shape and T1 relaxation.
3. The meta-theory of Natural Science and the Ethics of Natural Science.
The problem of formulating an Ethical guide which may prevent different types of misconduct in chemical science and publications.

Spin-spin relaxation of nuclear quadrupole resonance coherences and the important role of degenerate energy levels

Molecular Physics, Taylor & Francis 2020, Vol. 118, (17)

Goesweiner, Christian; Westlund, Per-Olof; Scharfetter, Hermann

Analysis of the behaviour of confined molecules using ²H T₁ nuclear magnetic relaxation dispersion

Molecular Physics, Taylor & Francis 2020, Vol. 118, (6)

Shamshir, Adel; Sparrman, Tobias; Westlund, Per-Olof

Uptake Kinetics of Methymerucy in a Freshwater Alga Exposed to Methylmercury Complexes with Environmentally Relevant Thiols

Environmental Science and Technology, American Chemical Society (ACS) 2019, Vol. 53, (23) : 13757-13766

Skrobonja, Aleksandra; Gojkovic, Zivan; Soerensen, Anne L.; et al.

A proton T₁-nuclear magnetic resonance dispersion study of water motion in snowflakes and hexagonal ice

Molecular Physics, Taylor & Francis 2019, Vol. 117, (7-8) : 960-967

Westlund, Per-Olof

Disentanglement of a Singlet Spin State in a Coincidence Stern-Gerlach Device

Journal of Modern Physics, Vol. 10, (10) : 1247-1254

Westlund, Per-Olof; Wennerström, Håkan

Tuning Nuclear Quadrupole Resonance: A Novel Approach for the Design of Frequency-Selective MRI Contrast Agents

Physical Review X, American Physical Society 2018, Vol. 8, (2)

Gösweiner, Christian; Lantto, Perttu; Fischer, Roland; et al.

Physical Chemistry, Chemical Physics - PCCP, Vol. 19, (7) : 4975-4988

Driver, Gordon W.; Huang, Yang; Laaksonen, Aatto; et al.

Internal Structure of Isolated Cellulose I Fibril Aggregates in the Water Swollen State

Nanocelluloses: their preparation, properties, and applications, American Chemical Society (ACS) 2017 : 91-112

Larsson, Per Tomas; Karlsson, Rose-Marie Pernilla; Westlund, Per-Olof; et al.

A Quantum Description of the Stern–Gerlach Experiment

Entropy, Basel: MDPI 2017, Vol. 19, (5)

Wennerström, Håkan; Westlund, Per-Olof

A Proton Water T1-NMRD Study of Ganglioside Micelles

Universal Journal of Chemistry, Vol. 4, (2) : 69-73

Westlund, Per-Olof

Water proton and deuterium spin-lattice relaxation in Zeolite ZSM-₅ by fast field-cycling NMR relaxometry

Huang, Yang; Siljebo, William; Westlund, Per-Olof

Analysis of proton/fluoride spin-lattice NMR dispersion experiment of an ionic liquid, BMIM[PF₆] by using molecular dynamics simulations and relaxation theory

Huang, Yang; Sparrman, Tobias; Wang, Young-lei; et al.

Hydration of the oxygen-evolving complex of photosystem II probed in the dark-stable S₁state using proton NMR dispersion profiles

Physical Chemistry, Chemical Physics - PCCP, Royal Society of Chemistry 2014, (16) : 11924-11935

Han, Guangye; Huang, Yang; Koua, Faisal Hammad Mekky; et al.

The water R₁(ω) NMRD profiles of a hydrated protein from molecular dynamics simulation

Physical Chemistry, Chemical Physics - PCCP, RSC Publishing 2013, Vol. 15, (33) : 14089-14097

Huang, Yang; Nam, Kwangho; Westlund, Per-Olof

On Stern‐Gerlach coincidence measurements and their application to Bell's theorem

Physics essays, Ottawa: Physics Essays Publication 2013, Vol. 26, (2) : 174-180

Wennerström, Håkan; Westlund, Per-Olof

Concentration enrichment of urea at cellulose surfaces: results from molecular dynamics simulations and NMR spectroscopy

Cellulose (London), Springer Science+Business Media B.V. 2012, Vol. 19, (1) : 1-12

Bergenstråhle-Wohlert, Malin; Berglund, Lars A; Brady, John W; et al.

Mercury methylation rates for geochemically relevant HgII species in sediments

Environmental Science and Technology, American Chemical Society (ACS) 2012, Vol. 46, (21) : 11653-11659

Jonsson, Sofi; Skyllberg, Ulf; Nilsson, Mats B; et al.

The molecular mechanism of urea denaturation

Advances in Chemistry Research: Volume 11

Lindgren, Matteus; Westlund, Per-Olof

The Stern-Gerlach experiment and the effects of spin relaxation

Physical Chemistry, Chemical Physics - PCCP, RSC Publishing 2012, Vol. 14 : 1677-1684

Wennerström, Håkan; Westlund, Per-Olof

Theoretical reason for the lack of influence of ¹H–¹⁴N cross-relaxation on the water proton T ₁ NMRD profile in slow tumbling proteins

Molecular Physics, Vol. 110, (18) : 2251-2255

Westlund, Per-Olof

Magnetic and Electron Spin Relaxation Properties of (Gd_xY_1−x)₂O₃ (0 ≤ x ≤ 1) Nanoparticles Synthesized by the Combustion Method. Increased Electron Spin Relaxation Times with Increasing Yttrium Content

The Journal of Physical Chemistry C, American Chemical Society (ACS) 2011, Vol. 115, (13) : 5469-5477

Gustafsson, Håkan; Ahrén, Maria; Söderlind, Fredrik; et al.

A combined molecular dynamic simulation and Urea 14N NMR relaxation study of the Urea - lysozyme system

Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, Elsevier 2010, Vol. 75, (3) : 953-9

Lindgren, Matteus; Sparrman, Tobias; Westlund, Per-Olof

On the stability of chymotrypsin inhibitor 2 in a 10 M urea solution: the role of interaction energies for urea-induced protein denaturation

Physical Chemistry, Chemical Physics - PCCP, Cambridge: RSC publishing 2010, Vol. 12, (32) : 9358-9366

Lindgren, Matteus; Westlund, Per-Olof

The affect of urea on the kinetics of local unfolding processes in chymotrypsin inhibitor 2

Biophysical Chemistry, Vol. 151, (1-2) : 46-53

Lindgren, Matteus; Westlund, Per-Olof

The quadrupole enhanced (1)H spin-lattice relaxation of the amide proton in slow tumbling proteins

Physical Chemistry, Chemical Physics - PCCP, Vol. 12, (13) : 3136-40

Westlund, Per-Olof

Electron spin relaxation at low field

Physical Chemistry, Chemical Physics - PCCP, Vol. 12, (1) : 201-206

Westlund, Per-Olof; Wennerström, Håkan

A theoretical spin relaxation and molecular dynamics simulation study of the Gd(H₂O)₉³⁺ complex

Physical Chemistry, Chemical Physics - PCCP, Royal Society of Chemistry 2009, Vol. 11 : 10368-76

Lindgren, Matteus; Laaksonen, Aatto; Westlund, Per-Olof

Fluorescence spectroscopic properties analysed within the extended Förster theory with application to Biomacromolecular systems

Journal of Fluorescence, Springer 2009, Vol. 19, (5) : 837-845

Norlin, Nils; Westlund, Per-Olof; Johansson, Lennart B-Å

Quadrupole-enhanced proton spin relaxation for a slow reorienting spin pair: (I)-(S). A stochastic Liouville approach

Molecular Physics, Taylor & Francis 2009, Vol. 107, (20) : 2141-8

Westlund, Per-Olof

Comparison of different methods for calculating the paramagnetic relaxation enhancement of nuclear spins as a function of the magnetic field

Journal of Chemical Physics, American Institute of Physics (AIP) 2008, Vol. 128, (5)

Belorizky, Elie; Fries, Pascal H; Helm, Lothar; et al.

Extensive NMRD studies of Ni(II) salt solutions in water and water-glycerol mixtures

Journal of magnetic resonance, Vol. 195, (1) : 103-11

Kowalewski, J; Egorov, A; Kruk, D; et al.

Extended Förster theory for determining intraprotein distances: Part III. Partial donor–donor energy migration among reorienting fluorophores

Physical Chemistry, Chemical Physics - PCCP, Vol. 10 : 6962-70

Norlin, Nils; Håkansson, Per; Westlund, Per-Olof; et al.

On the quantitative molecular analysis of electronic energy transfer within donor–acceptor pairs

Physical Chemistry, Chemical Physics - PCCP, Vol. 9 : 1941-51

Isaksson, Mikael; Norlin, Nils; Westlund, Per-Olof; et al.

Direct calculation of (H2O)-H-1 T-1 NMRD profiles and EPR lineshapes for the electron spin quantum numbers S=1, 3/2, 2, 5/2, 3, 7/2, based on the stochastic Liouville equation combined with Brownian dynamics simulation

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Royal Society of Chemistry 2007, Vol. 9, (6) : 691-700

Åman, Ken; Westlund, Per-Olof

The effect of memory in the stochastic master equation analyzed using the stochastic Liouville equation of motion: Electronic energy migration transfer between reorienting donor–donor, donor–acceptor chromophores

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 61, (1-2) : 299-304

Håkansson, Pär; Westlund, Per-Olof

Line shapes in CP/MAS 13C NMR spectra of cellulose I

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 62, (1-3) : 539-46

Larsson, Per Tomas; Westlund, Per-Olof

Photon emission from translational energy in atomic collisions: A dynamic Casimir-Polder effect

PHYSICAL REVIEW A, Vol. A 71, (062106) : 1-5

Westlund, Per-Olof; Wennerstrom, H.

The viscosity and temperature dependence of 1H T1-NMRD of the Gd(H2O)83+ complex

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 62, (1-3) : 335-42

Zhou, Xiangzhi; Westlund, Per-Olof

¹H NMRD profiles and ESR lineshapes of Gd(III) complexes: a comparison between the generalized SBM and the stochastic Liouville approach

Journal of magnetic resonance, San Diego: Academic Press 2005, Vol. 173, (1) : 75-83

Zhou, Xiangzhi; Westlund, Per-Olof

The viscosity and temperature dependence of X-band ESR lineshapes of Gd(III) aqueous complex

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 62, (1-3) : 76-82

Zhou, Xiangzhi; Westlund, Per-Olof

A general approach to the calculation of (H2O)-H-2 NMR lineshapes in microheterogeneous systems: a distorted bicontinuous cubic phase

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 7, (7) : 1394-1401

Åman, Ken; Hakansson, Pär; Westlund, Per-Olof

Extended Förster theory for determining intraprotein distances: 1. The K²-dynamics and fluorophore reorientation

Journal of Physical Chemistry B, Vol. 108, (44) : 17243-17250

Håkansson, Pär; Isaksson, Mikael; Westlund, Per-Olof; et al.

Nuclear and electron spin relaxation in paramagnetic complexes in solution: Effects of the quantum nature of molecular vibrations

The Journal of Chemical Physics, Vol. 121, (5) : 2215-27

Kruk, Danuta; Kowalewski, Jozef; Westlund, Per-Olof

On the philosophy of optimizing contrast agents: an analysis of 1H NMRD profiles and ESR lineshapes of the Gd(III)complex MS-325 + HSA

Journal of magnetic resonance, San Diego: Academic Press 2004, Vol. 167, (1) : 147-160

Zhou, Xiangzhi; Caravan, Peter; Clarkson, R B; et al.

The Electron Spin Relaxation and Paramagnetic Relaxation Enhancement: an Application of the Stochastic Liouville Equation in the Langevin Form

Molecular Physics, London: Taylor and Francis Ltd 2004, Vol. 102, (9-10) : 1085-1093

Åman, Ken; Westlund, Per-Olof

An NMR line shape and relaxation analysis of heavy water powder spectra of the L, L and P phases in the DPPC/water system

Physical Chemistry Chemical Physics, Vol. 5 : 2114-21

Sparrman, Tobias; Westlund, Per-Olof

Structure and Dynamics of Interfacial Water in an L Phase Lipid Bilayer from Molecular Dynamics Simulations

Biophysical Journal, Vol. 84 : 102-15

Åman, Ken; Lindahl, Erik; Edholm, Olle; et al.

Itô diffusions on hypersurfaces with application to the Schwarz-P surface and nuclear magnetic resonance theory

The Journal of Chemical Physics, Vol. 117, (19) : 8634-43

Håkansson, P; Persson, L; Westlund, Per-Olof

The mathematical theory of Ito diffusions on hypersurfaces, with applications to NMR relaxation problems

Journal of Mathematical Chemistry, New York: Kluwer Academic Publishers 2002, Vol. 31, (1) : 65-89

Persson, Leif; Cegrell, Urban; Usova, N; et al.

A direct simulation of EPR slow-motion spectra of spin labelled phospholipids in liquid crystalline bilayers based on a molecular dynamics simulation of the lipid dynamics

Physical Chemistry, Chemical Physics - PCCP, RSC Publishing 2001, Vol. 3, (23) : 5311-5319

Håkansson, Pär; Westlund, Per-Olof; Lindahl, Erik; et al.

Visa publikationer i DiVA

Undervisning: Meta-naturvetenskap och etik i två masterkurser.