Marzieh Saeedimasine

ORCID: 0000-0003-3302-6410
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About
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Research Areas
  • Lipid Membrane Structure and Behavior
  • Traumatic Brain Injury and Neurovascular Disturbances
  • thermodynamics and calorimetric analyses
  • Traumatic Brain Injury Research
  • Elasticity and Material Modeling
  • Cellular Mechanics and Interactions
  • Machine Learning in Materials Science
  • Graphene research and applications
  • Electronic and Structural Properties of Oxides
  • Graphene and Nanomaterials Applications
  • Spectroscopy and Quantum Chemical Studies
  • nanoparticles nucleation surface interactions
  • Statistical and Computational Modeling
  • Computational Drug Discovery Methods
  • Calcium Carbonate Crystallization and Inhibition
  • RNA Interference and Gene Delivery
  • Automotive and Human Injury Biomechanics
  • Nanopore and Nanochannel Transport Studies
  • Supramolecular Self-Assembly in Materials
  • Carbon Nanotubes in Composites

Stockholm University
2020-2024

Karolinska Institutet
2019-2021

Abstract The integrity of cellular membranes is critical for the functionality axons. Failure axonal (plasma membrane and/or myelin sheath) can be origin neurological diseases. two differ in content sphingomyelin and galactosylceramide lipids. We investigate relation between lipid bilayer structural-mechanical properties, to better understand dependency properties on composition. A sphingomyelin/phospholipid/cholesterol used mimic a plasma galactosylceramide/phospholipid/cholesterol sheath....

10.1038/s41598-019-44318-9 article EN cc-by Scientific Reports 2019-05-29

Adsorption free energies of 32 small biomolecules (amino acids side chains, fragments lipids, and sugar molecules) on 33 different nanomaterials, computed by the molecular dynamics - metadynamics methodology, have been analyzed using statistical machine learning approaches. Multiple unsupervised algorithms (principal component analysis, agglomerative clustering, K-means) as well supervised linear nonlinear regression (linear regression, AdaBoost ensemble learning, artificial neural network)...

10.1021/acs.jcim.3c01606 article EN cc-by Journal of Chemical Information and Modeling 2024-04-16

The use of carbon-based nanomaterials is tremendously increasing in various areas technological, bioengineering, and biomedical applications. functionality can be further broadened via chemical functionalization carbon nanomaterial surfaces. On the other hand, concern rising on possible adverse effects when are taken up by biological organisms. In order to contribute into understanding interactions with matter, we have investigated adsorption small biomolecules using enhanced sampling...

10.1021/acs.jpcb.0c08622 article EN cc-by The Journal of Physical Chemistry B 2020-12-29

Traumatic brain injuries are a leading cause of morbidity and mortality worldwide. With almost 50% traumatic being related to axonal damage, understanding the nature cellular level impairment is crucial. Experimental observations have so far led formulation conflicting theories regarding primary injury mechanism. Disruption axolemma, or alternatively cytoskeletal damage has been suggested mainly as trigger. However, mechanoporation thresholds generic membranes seem not overlap with...

10.3389/fneur.2020.00025 article EN cc-by Frontiers in Neurology 2020-01-30

Abstract Diffuse axonal injury (DAI) is the pathological consequence of traumatic brain (TBI) that most all requires a multiscale approach in order to be, first, understood and then possibly prevented. While fact mechanical insult usually happens at head (or macro) level, consequences affect structures cellular microlevel). The quest for tolerances has so far been addressed both with experimental computational approaches. On one hand, presents challenges connected temporal spatial resolution...

10.1115/1.4044953 article EN Journal of Biomechanical Engineering 2019-09-26

Zinc oxide nanostructures are used in an ever increasing line of applications technology and biomedical fields. This requires a detailed understanding the phenomena that occur at surface particularly aqueous environments contact with biomolecules. In this work, we ab initio molecular dynamics (AIMD) simulations to determine structural details ZnO surfaces water develop general transferable classical force field for hydrated surfaces. AIMD show molecules dissociate near unmodified surfaces,...

10.1021/acs.jpca.3c00424 article EN cc-by The Journal of Physical Chemistry A 2023-06-14

Around half of the traumatic brain injuries are thought to be axonal damage. Disruption cellular membranes, or alternatively cytoskeletal damage has been suggested as possible injury trigger. Here, we have used molecular models a better insight on structural and mechanical properties axon sub-cellular components. We modelled myelin sheath node Ranvier lipid bilayers at coarse grained level. built ex-novo model for myelin. Lipid composition saturation were based available experimental data....

10.3389/fmolb.2021.669897 article EN cc-by Frontiers in Molecular Biosciences 2021-06-23

A polarizable force field has been developed for molecular dynamics simulations of titanium dioxide in an aqueous environment. The uses the standard functional form with additional term accounting polarizability, i.e., induction interaction, and derived exclusively from ab initio calculations by partitioning electron density. Polarizability is described using Drude oscillator model where each non-hydrogen atom represented two point charges connected a harmonic potential. It demonstrated that...

10.1063/5.0242166 article EN cc-by-nc AIP Advances 2024-11-01

Abstract Traumatic brain injuries are a leading cause of morbidity and mortality worldwide. With almost 50% traumatic being related to axonal damage, understanding the nature cellular level impairment is crucial. Experimental observations have so far led formulation conflicting theories regarding primary injury mechanism. Disruption axolemma, or alternatively cytoskeletal damage has been suggested mainly as trigger. However, mechanoporation thresholds generic membranes seem not overlap with...

10.1101/816108 preprint EN bioRxiv (Cold Spring Harbor Laboratory) 2019-10-23
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