Structure analysis and non-invasive detection of cadmium-phytochelatin2 complexes in plant by deep learning Raman spectrum

Yinglei Zhao; Jinnuo Zhang; Mostafa Gouda; Chenghao Zhang; Lei Lin; Pengcheng Nie; Hongbao Ye; Wei Huang; Yunxiang Ye; Chengquan Zhou; Yong He

doi:10.1016/j.jhazmat.2021.128152

Structure analysis and non-invasive detection of cadmium-phytochelatin2 complexes in plant by deep learning Raman spectrum

J Hazard Mater. 2022 Apr 5:427:128152. doi: 10.1016/j.jhazmat.2021.128152. Epub 2021 Dec 31.

Authors

Yinglei Zhao¹, Jinnuo Zhang², Mostafa Gouda³, Chenghao Zhang⁴, Lei Lin², Pengcheng Nie⁵, Hongbao Ye⁴, Wei Huang², Yunxiang Ye⁴, Chengquan Zhou⁴, Yong He⁶

Affiliations

¹ Institute of Agricultural Equipment, Zhejiang Academy of Agricultural Sciences, 310000 Hangzhou, China; College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310058, China; State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310058, China; Key Laboratory of Spectroscopy Sensing, Ministry of Agriculture, Hangzhou 310058, China.
² College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310058, China.
³ College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310058, China; Department of Nutrition & Food Science, National Research Centre, Dokki, 12622 Giza, Egypt.
⁴ Institute of Agricultural Equipment, Zhejiang Academy of Agricultural Sciences, 310000 Hangzhou, China.
⁵ College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310058, China; State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310058, China; Key Laboratory of Spectroscopy Sensing, Ministry of Agriculture, Hangzhou 310058, China.
⁶ College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310058, China; State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310058, China; Key Laboratory of Spectroscopy Sensing, Ministry of Agriculture, Hangzhou 310058, China. Electronic address: yhe@zju.edu.cn.

PMID: 35033726
DOI: 10.1016/j.jhazmat.2021.128152

Abstract

Plants synthesize phytochelatins to chelate in vivo toxic heavy metal ions and produce nontoxic complexes for tolerating the stress. Detection of the complexes would simplify the identification of high phytoremediation cultivars, as well as assessment of plant food for safe consumption. Thus, a confocal Raman spectroscopy combined with density functional theory and deep learning was used for characterizing phytochelatin2 (PC₂), and Cd-PC₂ mixtures. Results showed the PC₂ chelate Cd²⁺ in a 2:1 ratio to produce Cd(PC₂)₂; Cd-S bonds of the Cd(PC₂)₂ have signature Raman vibrations at 305 and 610 cm^-1 which are the most distinctive spectral signatures for varieties of Cd-PCs complexes. The PC₂ was used as a natural probe to stabilize the chemical status of Cd, and to enrich and magnify Raman signature of the trace Cd for deep learning models which enabled condition of the Cd(PC₂)₂ in pak choi leaf to be visualized, quantified, and classified by directly using raw spectra of the leaf. This study provides a general protocol by using Raman information for structure analysis and non-invasive detection of heavy metal-PCs complexes in plants and provides a novel idea for simplifying identification of high phytoremediation cultivars, as well as assessment of heavy metal related food safeties.

Keywords: Cadmium complex; Food safety; Phytochelatin; Phytoremediation; Raman spectroscopy.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Cadmium
Deep Learning*
Metals, Heavy*
Phytochelatins
Plants

Substances

Metals, Heavy
Cadmium
Phytochelatins