Binding and distribution of water molecules in DPPC bilayers doped with β-sitosteryl sulfate

Ananda Kafle, Masaaki Akamatsu, Avinash Bhadani, Kenichi Sakai, Chihiro Kaise, Teruhisa Kaneko, Hideki Sakai

Research output: Contribution to journalArticlepeer-review


We have comparatively studied the behavior of water molecules associated with the DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine) bilayers in the presence and absence of β–sitosteryl sulfate (PSO4) with the help of differential scanning calorimetry (DSC) and SAXS (small-angle x-ray scattering) techniques. The DSC heating endotherms were analyzed to understand the intermolecular interactions between water molecules and the lipid headgroups. The strongly bound, weakly bound, and free water (SB-Water, WB-Water, and FW-Water, respectively) were thus identified in the bilayers and the impact of incorporating PSO4 was evaluated. The SAXS data provided the supporting evidence for the impact of PSO4 on the intake of water into the bilayer. Regardless of the presence or absence of PSO4, the SB-Water existed in the system as the non-freezable fraction. On the other hand, the WB-Water and FW-Water fractions, both of which are freezable, exhibited freezing and melting behaviors that differed from each other significantly. The enthalpies of fusion of the WB-Water, which differed from that of the FW-Water, also varied with the mole fractions of PSO4. PSO4 enhanced the fraction of WB -water in the bilayer while at the same time reducing the fractions of SB-Water and FW-Water. The optimum retainability and the ease of release of the available water makes this system efficient for maintaining skin homeostasis if used in cosmetic and pharmaceutical formulations.

Original languageEnglish
Article number112748
JournalColloids and Surfaces B: Biointerfaces
Publication statusPublished - Oct 2022
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Biotechnology
  • Surfaces and Interfaces
  • Physical and Theoretical Chemistry
  • Colloid and Surface Chemistry


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