Open AccessUnderstanding the interaction of polysulfone with urea and creatinine at the molecular level and its application for hemodialysis membrane
Author(s) -
Nurwarrohman Andre Sasongko,
Parsaoran Siahaan,
Retno Ariadi Lusiana,
Vivitri Dewi Prasasty
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1524/1/012084
Subject(s) - creatinine , urea , polysulfone , membrane , hemodialysis , chemistry , hydrogen bond , molecule , medicine , biochemistry , organic chemistry
The formation of polysulfone and its interaction with urea and creatinine have been evaluated at the density functional theory (DFT) level (B3LYP/6–31G ** ) to study the transport phenomena in hemodialysis membrane at a molecular level. The energy interaction of PSf-creatinine and PSf-urea complexes are -3.87 kcal/mol and -6.31 kcal/mol, respectively; which were classified in weak hydrogen bond interaction. Furthermore, the size of the urea is smaller than creatinine by 5.6 and 3.2 Å, respectively. All data presented that urea has a stronger interaction with PSf than creatinine that indicated urea easier to transport in the PSf membrane than creatinine during the hemodialysis process.