شماره ركورد كنفرانس :
5328
عنوان مقاله :
Semiempirical Quantum Calculations of Chiral Pillararene decorated with Alpha- hydroxyglycine for Enantioseparation of D-glucose and L-glucose
پديدآورندگان :
Saboori Arya arya.saboori.a@gmail.com Department of Chemistry, Shahid Bahonar University of Kerman, Kerman, Iran , Fallah lalehzar Amir amirfallah623@gmail.com Department of Chemistry, Shahid Bahonar University of Kerman, Kerman, Iran , Jamalizadeh Effat jamalizadeh@uk.ac.ir Department of Chemistry, Shahid Bahonar University of Kerman, Kerman, Iran
كليدواژه :
Enantiomer separation , Glucose , Pillararene , Semiempirical quantum calculations , PM7
عنوان كنفرانس :
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
چكيده فارسي :
Glucose, consumed widely every day, has two L and D enantiomers. The semiempirical PM7 method was utilized to investigate enantiomer separation of glucose with different enantioselective pillararenes. Also, alpha-hydroxyglycine- pillar[6]arene (AHGP6) has been introduced as a new glucose enantioselective molecule, and the separation of glucose enantiomers by differently decorated pillararene has been calculated. Also, the effect of pillararenes’ ring size on the enantioseparation has been investigated.
