PMID- 30594695 OWN - NLM STAT- MEDLINE DCOM- 20191218 LR - 20191218 IS - 1096-0953 (Electronic) IS - 0013-9351 (Linking) VI - 170 DP - 2019 Mar TI - Discrimination of phthalate species using a simple phage-based colorimetric sensor in conjunction with hierarchical support vector machine. PG - 238-242 LID - S0013-9351(18)30660-1 [pii] LID - 10.1016/j.envres.2018.12.030 [doi] AB - Here, the analytical potential of an M13 bacteriophage-based color sensor for discrimination of 4 phthalates with similar molecular structures (bis-(2-ethylhexyl)-phthalate (BEHP), dibutyl phthalate (DBP), diethyl phthalate (DEP), and benzyl-butyl-phthalate (BBP)) was investigated. The pattern and magnitude of the RGB color changes were different depending on the functional groups present in the phthalate structures. For example, BEHP possessing a long alkyl chain resulted in a minute color change, while the variation of color was substantially large when BBP containing an additional benzene ring was measured. Since a tryptophan-histidine-tryptophan residue possessing indole and imidazole was present on the self-assembled phages, the pi-pi interaction of benzene in BBP with the sensor surface produced a considerably greater color change. To evaluate the multi-modally varying color signals due to diverse interactions of the phthalates with the sensor and to discriminate them, support vector machine (SVM), which can construct a boundary hyperplane among complexly scattered sample groups, was used. In addition, hierarchical SVM (H-SVM) was adopted to deal with multi-class discrimination. The use of H-SVM improved the discrimination accuracy up to 90.1%, compared to 87.1% using SVM. The demonstrated color sensor is versatile and can be potentially adopted as an on-site screening tool. Strategies to improve the accuracy further for real applications are also discussed. CI - Copyright (c) 2018 Elsevier Inc. All rights reserved. FAU - Seol, Daun AU - Seol D AD - Department of Chemistry and Research Institute for Convergence of Basic Science, Hanyang University, Seoul 04763, Republic of Korea. FAU - Jang, Daeil AU - Jang D AD - Department of Mathematics, College of Natural Sciences, Hanyang University, Seoul 04763, Republic of Korea. FAU - Oh, Jin-Woo AU - Oh JW AD - BK21 Plus Division of Nano Convergence Technology, Pusan National University, Busan 46241, Republic of Korea; Department of Nano Fusion Technology, Pusan National University, Busan 46241, Republic of Korea; Department of Nanoenergy Engineering, Pusan National University, Busan 46241, Republic of Korea. FAU - Cha, Kyungjoon AU - Cha K AD - Department of Mathematics, College of Natural Sciences, Hanyang University, Seoul 04763, Republic of Korea. Electronic address: kjcha@hanyang.ac.kr. FAU - Chung, Hoeil AU - Chung H AD - Department of Chemistry and Research Institute for Convergence of Basic Science, Hanyang University, Seoul 04763, Republic of Korea. Electronic address: hoeil@hanyang.ac.kr. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20181215 PL - Netherlands TA - Environ Res JT - Environmental research JID - 0147621 RN - 0 (Phthalic Acids) RN - 2286E5R2KE (Dibutyl Phthalate) RN - C42K0PH13C (Diethylhexyl Phthalate) SB - IM MH - *Bacteriophages MH - Colorimetry MH - Dibutyl Phthalate MH - Diethylhexyl Phthalate MH - *Phthalic Acids MH - Support Vector Machine OTO - NOTNLM OT - Bacteriophage-based color sensor OT - Discrimination OT - Hierarchical support vector machine OT - Phthalates EDAT- 2018/12/31 06:00 MHDA- 2019/12/19 06:00 CRDT- 2018/12/31 06:00 PHST- 2018/09/26 00:00 [received] PHST- 2018/12/12 00:00 [revised] PHST- 2018/12/14 00:00 [accepted] PHST- 2018/12/31 06:00 [pubmed] PHST- 2019/12/19 06:00 [medline] PHST- 2018/12/31 06:00 [entrez] AID - S0013-9351(18)30660-1 [pii] AID - 10.1016/j.envres.2018.12.030 [doi] PST - ppublish SO - Environ Res. 2019 Mar;170:238-242. doi: 10.1016/j.envres.2018.12.030. Epub 2018 Dec 15.