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.

2020

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

2020

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

2019

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.

2019

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

2019

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

2018

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.

2017

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

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

2017

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.

2017

A Quantum Description of the Stern–Gerlach Experiment

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

Wennerström, Håkan; Westlund, Per-Olof

2016

A Proton Water T1-NMRD Study of Ganglioside Micelles

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

Westlund, Per-Olof

2015

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

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

2015

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.

2014

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.

2013

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

2013

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

2012

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.

2012

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.

2012

The molecular mechanism of urea denaturation

Advances in Chemistry Research: Volume 11

Lindgren, Matteus; Westlund, Per-Olof

2012

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

2012

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

2011

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.

2010

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

2010

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

2010

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

2010

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

2010

Electron spin relaxation at low field

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

Westlund, Per-Olof; Wennerström, Håkan

2009

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

2009

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

2009

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

2008

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.

2008

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.

2008

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.

2007

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.

2007

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

2005

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

2005

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

2005

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.

2005

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

2005

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

2005

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

2005

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

2004

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.

2004

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

2004

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.

2004

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

2003

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

2003

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.

2002

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

2002

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.

2001

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.