2D Correlation Spectroscopy and Its Application in Vibrational and Optical Spectroscopy

Xu, Yizhuang; Ozaki, Yukihiro; Noda, Isao; Jung, Young Mee

doi:10.1016/b978-0-12-849883-5.00010-3

Cited by 12 publications

(12 citation statements)

References 258 publications

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“…Since there is an increasing trend in the area of the exploration of environmental processes with the aid of 2DCOS techniques, it is therefore necessary to critically summarize and appraise the development of 2DCOS techniques in environmental applications. There are some reviews about the applications and some recent developments of 2DCOS techniques for various fields. − Also, the advantages of the 2DCOS approaches used for the DOM study have been summarized. , However, all of the existing reviews about DOM characterization or 2DCOS applications fail to provide a whole picture of DOM properties/environmental behaviors. As a result, evaluation on the applications of 2DCOS techniques in characterizing DOM properties and environmental behaviors from various processes is still missing.…”

Section: Introductionmentioning

confidence: 99%

Characterizing Properties and Environmental Behaviors of Dissolved Organic Matter Using Two-Dimensional Correlation Spectroscopic Analysis

Chen

Teng

Qian

et al. 2019

Environ. Sci. Technol.

178

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Dissolved organic matter (DOM) exists ubiquitously in environments and plays critical roles in pollutant mitigation, transformation, and organic geochemical cycling. Understanding its properties and environmental behaviors is critically important to develop water treatment processes and environmental remediation strategies. Generalized two-dimensional correlation spectroscopy (2DCOS), which has numerous advantages, including enhancing spectral resolution and discerning specific order of structural change under an external perturbation, could be used as a powerful tool to interpret a wide range of spectroscopic signatures relating to DOM. A suite of spectroscopic signatures, such as UV–vis, fluorescence, infrared, and Raman spectra that can be analyzed by 2DCOS, is able to provide additional structural information hiding behind the conventional one-dimensional spectra. In this article, the most recent advances in 2DCOS applications for analyzing DOM-related environmental processes are reviewed, and the state-of-the-art novel spectroscopic techniques in 2DCOS are highlighted. Furthermore, the main limitations and requirements of current approaches for exploring DOM-related environmental processes and how these limitations and drawbacks can be addressed are explored. Finally, suggestions and new approaches are proposed to significantly advance the development of 2DCOS in analyzing the properties and behaviors of DOM in natural and engineered environments.

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Section: Introductionmentioning

confidence: 99%

Characterizing Properties and Environmental Behaviors of Dissolved Organic Matter Using Two-Dimensional Correlation Spectroscopic Analysis

Chen

Teng

Qian

et al. 2019

Environ. Sci. Technol.

178

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“…3. The peak at 3610 cm -1 was attributed to the stretching vibration of O-H in clay minerals, water, carboxyl groups, and hydroxyl groups (Madejova & Komadel, 2001;Nayak & Singh, 2007;Peltre et al, 2014;Xu et al, 2018). The peak at approximately 1660 cm -1 was attributed to the stretching vibrations of C=C/C=O in amides and aromatics (Madejova & Komadel, 2001).…”

Section: Ftir-atr Spectra Of Soil Samplesmentioning

confidence: 99%

“…The 2DCOS analysis was performed using the method established by Noda and Ozaki (Noda, 2018;Noda & Ozaki, 2005). The intensity of the synchronous 2D correlation spectrum, Ф (λ 1 , λ 2 ), represents the simultaneous or coincidental changes in the spectral intensity at wavenumbers λ 1 and λ 2 with an external perturbation.…”

Section: Spectral Data Processingmentioning

confidence: 99%

“…2DCOS is typically displayed as contour maps of correlation intensities, as functions of two independent wave numbers/wavelengths. 2DCOS can probe the specific sequence of any subtle spectral changes in response to external perturbations (Noda, 2018;Ruan & Zhou, 2008;Xu et al, 2018), which can be employed to detect changes in organic and inorganic functional groups and structural relationships in mineral-organic processes along spatial and microscales.…”

Section: Introductionmentioning

confidence: 99%

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LIBS and FTIR-ATR spectroscopy studies of mineral-organic associations in salinized soil

Zhang³

et al. 2020

Preprint

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The direct characterization of the spatial distribution of elements and compound binding of salt-organic associations in soil is imperative for understanding the mechanisms of organic matter decomposition and nutrient release in soil degradation and development processes. Modern spectroscopic techniques provide a feasible method for analysis at the microscale. In this study, mid-infrared attenuated total reflectance spectroscopy (FTIR-ATR) was used to obtain molecular functional group information, laser-induced breakdown spectroscopy (LIBS) was apply to obtain micro-level distribution features of elements in soil, and two-dimensional correlation spectroscopy (2DCOS) analysis was conducted to illustrate the binding combination features of mineral-organic associations in salinized from the Hetao Irrigation District in China. The results showed that the distributions of Mg, Ca, Na, and K were heterogeneous at the micro-level; the spatial distributions of Mg and Ca showed a significant correlation (r = 0.90***), while K displayed a negative correlation with the SOM contents. In soil with lower SOM contents, the elements were distributed at the top of the ablation area and enhanced with the increasing SOM content, which reflected the trends of the SOM layer thickness outside the mineral-organic associations at the micro-level. Furthermore, 2DCOS analysis suggested that the hydrogen bonds in silicate groups were stronger than those of organic functional groups, such as C=O/C=C, when combined with salt-related compounds, and Mg, Ca, Na, and K did not originate from clay mineral compounds in salinized soil, but partially originated from deposited organic associations.

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“…[1][2][3][4][5] The past three decades have witnessed great progress in 2D-COS, and a large number of relevant papers have accumulated in the literature. [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21] We developed an orthogonal sample design scheme and related techniques to investigate intermolecular interaction between two solutes dissolved in the same solutions. [22][23][24][25][26] Via these approaches, an intermolecular interaction is reliably reflected as cross-peaks in 2D spectra.…”

Section: Introductionmentioning

confidence: 99%

Intensity Enhancement of a Two-Dimensional Asynchronous Spectrum Without Noise Level Fluctuation Escalation Using a One-Dimensional Spectra Sequence Change

Zhou

et al. 2020

Appl Spectrosc

Self Cite

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Previously, we demonstrated that the intensities of cross peaks in a two-dimensional asynchronous spectrum could be enhanced via a change of the sequence of the corresponding 1D spectra. This unusual approach becomes useful when the determination of the sequential order of physicochemical events is not essential. However, we have not known whether the level of noise in the 2D asynchronous spectrum is also escalated as the sequence of 1D spectra is changed. Herein, we firstly investigate the noise behavior in a two-dimensional asynchronous spectrum upon changing the sequence of the corresponding 1D spectra on a model system. In the model system, bilinear data from a chromatographic-spectroscopic experiment on a mixture containing two components are analyzed via 2D asynchronous spectrum. The computer simulation results confirm that the cross peaks intensities in the resultant 2D asynchronous spectrum are indeed enhanced by more than100 times as the sequence of 1D spectra is changed, whereasthe fluctuation level of noise, reflected by the standard deviation of the value of a 2D asynchronous spectrum at a given point, is almost invariant. Further analysis on the model systems demonstrates that the special mathematical property of the Hilbert-Noda matrix (the modules of all the column vectors of the Hilbert-Noda matrix is near a constant) accounts for the moderate variation of the noise level during the changes of the sequence of 1D spectra. Secondly, a realistic example from a thermogravimetry-Fourier transform infrared spectroscopy (TG-FTIR) experiment with added artificial noise in seven 1D spectra was studied. As we alter the sequence of the seven FTIR spectra, the variation of the intensities of cross peaks covers four orders of magnitudes in the 2D asynchronous spectra. In contrast, the fluctuation of noise in 2D asynchronous spectra is within two times. The above results clearly demonstrate that a change in the sequence of 1D spectra is an effective way to improve the signal-to-noise level of the 2D asynchronous spectra.

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2D Correlation Spectroscopy and Its Application in Vibrational and Optical Spectroscopy

Cited by 12 publications

References 258 publications

Characterizing Properties and Environmental Behaviors of Dissolved Organic Matter Using Two-Dimensional Correlation Spectroscopic Analysis

Characterizing Properties and Environmental Behaviors of Dissolved Organic Matter Using Two-Dimensional Correlation Spectroscopic Analysis

LIBS and FTIR-ATR spectroscopy studies of mineral-organic associations in salinized soil

Intensity Enhancement of a Two-Dimensional Asynchronous Spectrum Without Noise Level Fluctuation Escalation Using a One-Dimensional Spectra Sequence Change

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