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@ARTICLE{Rudani:1026937,
      author       = {Rudani, Binny and Jakubowski, Andre and Kriegs, Hartmut and
                      Wiegand, Simone},
      title        = {{D}eciphering the guanidinium cation: {I}nsights into
                      thermal diffusion},
      journal      = {The journal of chemical physics},
      volume       = {160},
      number       = {21},
      issn         = {0021-9606},
      address      = {Melville, NY},
      publisher    = {American Institute of Physics},
      reportid     = {FZJ-2024-03529},
      pages        = {214502},
      year         = {2024},
      abstract     = {Thermophoresis, or thermodiffusion, is becoming a more
                      popular method for investigating the interactions between
                      proteins and ligands due to its high sensitivity to the
                      interactions between solutes and water. Despite its growing
                      use, the intricate mechanisms behind thermodiffusion remain
                      unclear. This gap in knowledge stems from the complexities
                      of thermodiffusion in solvents that have specific
                      interactions, as well as the intricate nature of systems
                      that include many components with both non-ionic and ionic
                      groups. ${\color{red}To$ deepen our understanding, we reduce
                      complexity by conducting systematic studies on aqueous salt
                      solutions.} In this work, we focused on how guanidinium salt
                      solutions behave in a temperature gradient, using thermal
                      diffusion forced Rayleigh scattering experiments at
                      temperatures ranging from 15 to 35°C. We looked at the
                      thermodiffusive behavior of four guanidinium salts
                      (thiocyanate, iodide, chloride, and carbonate) in solutions
                      with concentrations from 1 to 3 mol/kg. The guanidinium
                      cation is disk-shaped and is characterized by flat
                      hydrophobic surfaces and three amine groups, which enable
                      directional hydrogen bonding along the edges. We compare our
                      results with the behavior of salts with spherical cations
                      such as sodium, potassium and lithium. Our discussions are
                      framed around how different salts are solvated, specifically
                      in the context of the Hofmeister series, which ranks ions
                      based on their effects on the solvation of proteins.},
      cin          = {IBI-4},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IBI-4-20200312},
      pnm          = {5241 - Molecular Information Processing in Cellular Systems
                      (POF4-524)},
      pid          = {G:(DE-HGF)POF4-5241},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {38828819},
      UT           = {WOS:001239198500004},
      doi          = {10.1063/5.0215843},
      url          = {https://juser.fz-juelich.de/record/1026937},
}