title: Rapid determination and chemical change tracking of benzoyl peroxide in wheat flour by multi-step IR macro-fingerprinting.
abstract: BPO is often added to wheat flour as flour improver, but its excessive use and edibility are receiving increasing concern. A multi-step IR macro-fingerprinting was employed to identify BPO in wheat flour and unveil its changes during storage. BPO contained in wheat flour (<3.0 mg/kg) was difficult to be identified by infrared spectra with correlation coefficients between wheat flour and wheat flour samples contained BPO all close to 0.98. By applying second derivative spectroscopy, obvious differences among wheat flour and wheat flour contained BPO before and after storage in the range of 1500-1400 cm(-1) were disclosed. The peak of 1450 cm(-1) which belonged to BPO was blue shifted to 1453 cm(-1) (1455) which belonged to benzoic acid after one week of storage, indicating that BPO changed into benzoic acid after storage. Moreover, when using two-dimensional correlation infrared spectroscopy (2DCOS-IR) to track changes of BPO in wheat flour (0.05 mg/g) within one week, intensities of auto-peaks at 1781 cm(-1) and 669 cm(-1) which belonged to BPO and benzoic acid, respectively, were changing inversely, indicating that BPO was decomposed into benzoic acid. Moreover, another autopeak at 1767 cm(-1) which does not belong to benzoic acid was also rising simultaneously. By heating perturbation treatment of BPO in wheat flour based on 2DCOS-IR and spectral subtraction analysis, it was found that BPO in wheat flour not only decomposed into benzoic acid and benzoate, but also produced other deleterious substances, e.g., benzene. This study offers a promising method with minimum pretreatment and time-saving to identify BPO in wheat flour and its chemical products during storage in a holistic manner.
authors.affiliation: College of Food Science & Technology, Shanghai Ocean University, Shanghai 201306, PR China.
authors.forename: Xiao-Xi
authors.initials: XX
authors.lastname: Guo
authors.affiliation: College of Food Science & Technology, Shanghai Ocean University, Shanghai 201306, PR China.
authors.forename: Wei
authors.initials: W
authors.lastname: Hu
authors.affiliation: College of Food Science & Technology, Shanghai Ocean University, Shanghai 201306, PR China.
authors.forename: Yuan
authors.initials: Y
authors.lastname: Liu
authors.affiliation: Analysis Center, Tsinghua University, Beijing 100084, PR China.
authors.forename: Su-Qin
authors.initials: SQ
authors.lastname: Sun
authors.affiliation: College of Food Science & Technology, Shanghai Ocean University, Shanghai 201306, PR China.
authors.forename: Dong-Chen
authors.initials: DC
authors.lastname: Gu
authors.affiliation: Thermo Fisher Scientific Inc., Shanghai 201206, PR China.
authors.forename: Helen
authors.initials: H
authors.lastname: He
authors.affiliation: College of Food Science & Technology, Shanghai Ocean University, Shanghai 201306, PR China. Electronic address: chxu@shou.edu.cn.
authors.forename: Chang-Hua
authors.initials: CH
authors.lastname: Xu
authors.affiliation: College of Food Science & Technology, Shanghai Ocean University, Shanghai 201306, PR China. Electronic address: xcwang@shou.edu.cn.
authors.forename: Xi-Chang
authors.initials: XC
authors.lastname: Wang
mesh_terms: D001585:Benzoyl Peroxide / Q000032:analysis*; D005433:Flour / Q000032:analysis*; D006358:Hot Temperature; D017550:Spectroscopy, Fourier Transform Infrared / Q000191:economics / Q000379:methods*; D014908:Triticum / Q000737:chemistry*
chemical_list: D001585:Benzoyl Peroxide
keywords: 2DCOS-IR; Benzoyl peroxide; FTIR; Identification; Spectral subtraction