Shi-Min Xu, Xiao-Hui Sun, Wen-Gang Zong, Ze-Rong Li, Xiang-Yuan Li
Kinetic Analysis for Reaction of Cyclopentadiene with Hydroperoxyl Radical under Low- and Medium-Temperature Combustion
The journal of physical chemistry. A
protein adsorption solid surfaces process relevant biological medical industrial environmental applications despite wide interest advancement measurement techniques complexity protein adsorption frustrated accurate prediction address challenge data regarding protein adsorption reported last four decades collected checked completeness correctness organized archived upgraded freely accessible biomolecular adsorption database equivalent largescale ad hoc crowdsourced multifactorial experiment shape physicochemical properties proteins present database quantified molecular surfaces using inhouse program proms operating addon pymol software machine learningbased analysis indicated protein adsorption hydrophobic hydrophilic surfaces modulated different sets operational structural molecular surfacebased physicochemical parameters separately adsorption data regarding four benchmark proteins ie lysozyme albumin igg fibrinogen processed piecewise linear regression protein monolayer acting breakpoint using linearization langmuir isotherm formalism resulting semiempirical relationships predicting protein adsorption relationships derived separately hydrophilic hydrophobic surfaces described well protein concentration surface function protein concentration solution adsorbing surface contact angle ionic strength ph temperature carrying fluid difference ph isoelectric point protein applying semiempirical relationships derived benchmark proteins two test proteins known pdb structure ie lactoglobulin lactalbumin errors extrapolation found linear relationship dissimilarity benchmark test proteins work presented used estimation operational parameters modulating protein adsorption various applications diagnostic devices pharmaceuticals biomaterials food industry