Predicting Notable Radical Scavenging Sites of Gnetin C Using Density Functional Theory

• Main Authors: Vera Khoirunisa, .-, Lusia Silfia Pulo Boli, .-, Rizka Nur Fadilla, .-, Adhitya Gandaryus Saputro, .-, Heni Rachmawati, .-, Hermawan Kresno Dipojono, .-, Febdian Rusydi, .-
• Format: Book Section PeerReviewed
• Language: English; English; English; English
• Published: Trans Tech Publications Ltd, Switzerland 2018
• Subjects: Q Science; Q Science (General); QC Physics; QC1 Physics (General)
• Online Access: https://repository.unair.ac.id/113208/1/C09.%20Karya%20Ilmiah.pdf; https://repository.unair.ac.id/113208/3/C09.%20Review%20dan%20Validasi.pdf; https://repository.unair.ac.id/113208/2/C09.%20Similarity_Predicting%20Notable%20Radical%20Scavenging.pdf; https://repository.unair.ac.id/113208/4/C09.%20Submissio_predicting%20notabel%20radical-accepted.pdf; https://repository.unair.ac.id/113208/; https://www.scientific.net/MSF.966.229
• Institution: Universitas Airlangga

We have been investigating the scavenging activity of gnetin C theoretically in the molecular level. In this work, we perform density functional based calculations to predict the possible site of gnetin C for free radical scavenging activity. The water solvent effect is considered as polarizable con...