Chemical identification in the specular and off-specular rough-surface scattered terahertz spectra using wavelet shrinkage
Open accessAbstract
We present the development and implementation of a novel wavelet shrinkage technique for the retrieval of obscured characteristic resonant signatures in the scattered terahertz (THz) reflectivity of molecular crystals. In this implementation, the wavelet basis functions associated with the absorption features were identified using the second-order total variation of the wavelet coefficients. Additionally, wavelet coefficients at certain scales were modified using the phase function corrections and wavelet hard thresholding. Reconstruction of the original spectra using these modified wavelet coefficients yielded the exact resonant frequencies of the chemicals, which were otherwise unrecognizable in the spectral artifacts of the rough surface scattering. We examined the robustness of this method over controlled levels of rough surface scattering, validated using the Kirchhoff approximation, in spectroscopic targets made from α-lactose monohydrate and 4-aminobenzoic acid (PABA), which have close spectral lines. We successfully retrieved the spectral absorption fingerprints in both specular and off-specular reflection geometries. This technique can be utilized for stand-off material characterization using the THz reflection spectroscopy in uncontrolled environments and potentially can be adopted for other broadband spectroscopic modalities.
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When applied to THz absorption or reflection coefficients, wavelet transform can separate characteristic resonant signatures from scattering-induced spectral artifacts.
“We have shown that because wavelet transform provides spectral localization at multiple resolution scales, when applied to THz absorption or reflection coefficients, it can separate the characteristic resonant signatures from the scattering-induced spectral artifacts [15,16,17,44].”
From Translation-Invariant Zero-Phase Wavelet Methods for Feature Extraction in Terahertz Time-Domain Spectroscopy (2022) · cites this paper as [16]
The Materials and Methods section reports that wavelet shrinkage separates resonant features from scattering artifacts in the derivative of THz reflectivity. It does not demonstrate the method on THz absorption coefficients, or on reflection coefficients without taking their derivative, so the claim is broader than this source supports. (LLM, conf=0.84)
Experimental — accuracy not yet measuredWavelet transform provides spectral localization at multiple resolution scales.
“We have shown that because wavelet transform provides spectral localization at multiple resolution scales, when applied to THz absorption or reflection coefficients, it can separate the characteristic resonant signatures from the scattering-induced spectral artifacts [15,16,17,44].”
From Translation-Invariant Zero-Phase Wavelet Methods for Feature Extraction in Terahertz Time-Domain Spectroscopy (2022) · cites this paper as [16]
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“Furthermore, the wavelet coefficient levels associated with resonant signatures can be identified using total variation in reflection spectroscopy [16], or bimodality coefficient [17] and principal component analysis [45] in the transmission geometry.”
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Self-citation
- Authors
- Khani, M. E., & Arbab, M. H.
- Affiliations
- Stony Brook University (US)
- Venue
- IEEE Access
- Published
- 2021
- Volume
- 9
- Pages
- 29746-29754
- ISSN
- 2169-3536 (ISSN-L)
- PMC
- PMC9009754
- OpenAlex
- W3132565123
- Cited by
- 29
- References
- 44
- Citations by year
- 2026: 1 · 2025: 4 · 2024: 2 · 2023: 4 · 2022: 15 · 2021: 3
- FWCI
- 1.76
- Type
- journal article
- Language
- en
- Open access
- gold
- doi.org
- Locations
- IEEE Access (publishedVersion, cc-by)
- PubMed (publishedVersion)
- PubMed Central (acceptedVersion, cc-by)
- DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
- Funders
- National Institute of General Medical Sciences of the National Institutes of Health (R01GM112693)
- Topics
- Physical Sciences › Engineering › Electrical and Electronic Engineering › Terahertz technology and applications
- Physical Sciences › Chemistry › Spectroscopy › Spectroscopy and Laser Applications
- Physical Sciences › Chemistry › Analytical Chemistry › Spectroscopy and Chemometric Analyses
- Keywords
- terahertz reflectivity, rough surface scattering, wavelet thresholding, hard thresholding, total variation, alpha-lactose monohydrate, p-aminobenzoic acid, Kirchhoff approximation
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