Computer-aided molecular design of water compatible visible light photosensitizers for dental adhesive

详细信息    查看全文

• 作者：Farhana Abedin^a ; ^b ; Brock Roughton^b ; Qiang Ye^a ; Paulette Spencer^a ; ^c ; Kyle Camarda^d ; ^{camarda@ku.edu}
• 关键词：Photosensitizer ; Dental adhesive ; QSPRs ; Optimization ; MINLP ; Connectivity indices ; Tabu Search
• 刊名：Chemical Engineering Science
• 出版年：2017
• 出版时间：23 February 2017
• 年：2017
• 卷：159
• 期：Complete
• 页码：131-139
• 全文大小：937 K
• 卷排序：159

文摘

Framework to design water compatible photosensitizers for dental adhesives. Insight into photosensitizer structure linked to improved dental adhesive lifetime. Proposed four example candidate molecules showing high degree of conversion. Iminium ions were identified to have positive impact on the degree of conversion.