Spectroscopy

Article Optics

The HITRAN2020 molecular spectroscopic database

I. E. Gordon, L. S. Rothman, R. J. Hargreaves, R. Hashemi, E. Karlovets, F. M. Skinner, E. K. Conway, C. Hill, R. Kochanov, Y. Tan, P. Wcislo, A. A. Finenko, K. Nelson, P. F. Bernath, M. Birk, V Boudon, A. Campargue, K. Chance, A. Coustenis, B. J. Drouin, J-M Flaud, R. R. Gamache, J. T. Hodges, D. Jacquemart, E. J. Mlawer, A. Nikitin, V. Perevalov, M. Rotger, J. Tennyson, G. C. Toon, H. Tran, V. G. Tyuterev, E. M. Adkins, A. Baker, A. Barbe, E. Cane, A. G. Csaszar, A. Dudaryonok, O. Egorov, A. J. Fleisher, H. Fleurbaey, A. Foltynowicz, T. Furtenbacher, J. J. Harrison, J-M Hartmann, V-M Horneman, X. Huang, T. Karman, J. Karns, S. Kassi, I Kleiner, V Kofman, F. Kwabia-Tchana, N. N. Lavrentieva, T. J. Lee, D. A. Long, A. A. Lukashevskaya, O. M. Lyulin, V. Yu Makhnev, W. Matt, S. T. Massie, M. Melosso, S. N. Mikhailenko, D. Mondelain, H. S. P. Mueller, O. Naumenko, A. Perrin, O. L. Polyansky, E. Raddaoui, P. L. Raston, Z. D. Reed, M. Rey, C. Richard, R. Tobias, I Sadiek, D. W. Schwenke, E. Starikova, K. Sung, F. Tamassia, S. A. Tashkun, J. Vander Auwera, I. A. Vasilenko, A. A. Vigasin, G. L. Villanueva, B. Vispoel, G. Wagner, A. Yachmenev, S. N. Yurchenko

Summary: The HITRAN database is a valuable compilation of molecular spectroscopic parameters used to predict and simulate light transmission and emission in gaseous media. The 2020 quadrennial edition of HITRAN incorporates recent experimental and theoretical data, with major updates to all five components for increased accuracy and coverage in atmospheric observations.

JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER (2022)

Article Spectroscopy

Luminescent binuclear Zinc(II) organic framework as bifunctional water-stable chemosensor for efficient detection of antibiotics and Cr(VI) anions in water

Liming Fan, Dongsheng Zhao, Bei Li, Feng Wang, Yuxin Deng, Yuxin Peng, Xin Wang, Xiutang Zhang

Summary: By introducing the strategy of aromatic pi-electron mixed ligands, ultra stable LMOFs with predominant luminescent sensing performances have been achieved. The ternary LMOF {[Zn-2(HDDB)(bib)(1.5)]center dot 3H(2)O}n (1) features a 3D framework with high porosity and thermal and chemical stability. Furthermore, LMOF 1 shows excellent detectability for hexavalent chromates and nitroimidazoles/nitrofurans antibiotics in water.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2022)

Review Spectroscopy

Ion mobility mass spectrometry in the omics era: Challenges and opportunities for metabolomics and lipidomics

Giuseppe Paglia, Andrew J. Smith, Giuseppe Astarita

Summary: Researchers are utilizing ion mobility mass spectrometry (IM-MS) for metabolomics and lipidomics applications, which offers advantages such as measuring collision cross-section values, improving peak capacity and signal-to-noise ratio, and coupling with various fragmentation modes. These advancements provide a more robust tool for identification, quantification, and structural characterization in the field.

MASS SPECTROMETRY REVIEWS (2022)

Article Biophysics

DIMENSION: Dynamic MR imaging with both k-space and spatial prior knowledge obtained via multi-supervised network training

Shanshan Wang, Ziwen Ke, Huitao Cheng, Sen Jia, Leslie Ying, Hairong Zheng, Dong Liang

Summary: This paper proposes a dynamic MR imaging method, named DIMENSION, which integrates both k-space and spatial prior knowledge via multi-supervised network training. It achieves improved reconstruction results in shorter time.

NMR IN BIOMEDICINE (2022)

Article Spectroscopy

Glutathione-stabilized copper nanoclusters mediated-inner filter effect for sensitive and selective determination of p-nitrophenol and alkaline phosphatase activity

Hai-Bo Wang, Bei-Bei Tao, Ning-Ning Wu, Hong-Ding Zhang, Yan-Ming Liu

Summary: A simple and highly selective fluorescence biosensor based on glutathione-stabilized copper nanoclusters (GSH-CuNCs) has been developed for the detection of p-nitrophenol (p-NP) and alkaline phosphatase (ALP) activity. The method shows promising sensitivity and broad application prospects.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2022)

Review Spectroscopy

Surface-assisted laser desorption/ionization mass spectrometry imaging: A review

Wendy H. Mueller, Alexandre Verdin, Edwin De Pauw, Cedric Malherbe, Gauthier Eppe

Summary: Surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS) is a technique that uses nanostructured substrates to promote the desorption/ionization of analytes, allowing for both untargeted and targeted analysis. This review focuses on SALDI-MS imaging (SALDI-MSI), discussing the nomenclature, fundamental mechanisms, analytical strategies, and applications in various fields. SALDI-MSI has strengths and limitations, but shows promising prospects for future development.

MASS SPECTROMETRY REVIEWS (2022)

Review Spectroscopy

On-tissue chemical derivatization in mass spectrometry imaging

Carla Harkin, Karl W. Smith, Faye L. Cruickshank, C. Logan Mackay, Bryn Flinders, Ron M. A. Heeren, Tara Moore, Simon Brockbank, Diego F. Cobice

Summary: Mass spectrometry imaging (MSI) combines molecular and spatial information, making it a valuable tool in various applications. Chemical derivatization (CD) has proven to be an effective solution for ionization issues. On-tissue chemical derivatization (OTCD) is a powerful tool for studying the spatial distribution of poorly ionizable molecules within tissues.

MASS SPECTROMETRY REVIEWS (2022)

Article Spectroscopy

Raman spectroscopy and machine learning for the classification of breast cancers

Lihao Zhang, Chengjian Li, Di Peng, Xiaofei Yi, Shuai He, Fengxiang Liu, Xiangtai Zheng, Wei E. Huang, Liang Zhao, Xia Huang

Summary: Breast cancer subtype classification is crucial and can be accurately and rapidly done using Raman spectroscopy combined with machine learning techniques. The study demonstrates that Raman spectral features can serve as cancer cell biomarkers, and the combination of Raman spectroscopy and machine learning can reveal differences among subtypes.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2022)

Article Spectroscopy

Dual-Channel More Flexible Salamo-Like Chemosensor for Fluorogenic Sensing of Copper Ion in Semi-Aqueous Medium

R-Y Li, S-X Gao, Ch Liu, W-K Dong, Y-J Ding

Summary: The optical properties of the symmetric salamo-like chemical probe (H2CS) of Cu2+ were investigated and fluorescence quenching was observed. The binding constant and LOD of Cu2+ to the H2CS sensor were calculated, and significant changes in the UV-Vis spectra were observed when Cu2+ ions were added. The fluorescence shutdown phenomenon was achieved by adding EDTA to the H2CS-Cu2+ solution.

JOURNAL OF APPLIED SPECTROSCOPY (2022)

Article Biophysics

Molecular subtype classification of low-grade gliomas using magnetic resonance imaging-based radiomics and machine learning

Luu Ho Thanh Lam, Duyen Thi Do, Doan Thi Ngoc Diep, Dang Le Nhu Nguyet, Quang Dinh Truong, Tran Thanh Tri, Huynh Ngoc Thanh, Nguyen Quoc Khanh Le

Summary: This study proposes a model for predicting the molecular subtypes of LGG using MRI. The model combines genetic algorithms and XGBoost classifier to achieve a classification accuracy of 0.6905 on an external validation dataset for the three-subtype classification of LGGs, outperforming previous studies.

NMR IN BIOMEDICINE (2022)

Review Spectroscopy

The development and application of matrix assisted laser desorption electrospray ionization: The teenage years

Michael Caleb Bagley, Kenneth P. Garrard, David C. Muddiman

Summary: In the past 15 years, ambient ionization techniques, particularly matrix-assisted laser desorption electrospray ionization, have made significant advancements in mass spectrometry imaging. These techniques have been developed and improved with different laser systems and mass spectrometers, leading to transformative developments in the imaging platform.

MASS SPECTROMETRY REVIEWS (2023)

Review Spectroscopy

Eight key rules for successful data-dependent acquisition in mass spectrometry-based metabolomics

Emmanuel Defossez, Julien Bourquin, Stephan Reuss, Sergio Rasmann, Gaetan Glauser

Summary: Metabolomics has become a pivotal approach for analyzing metabolites in biological systems, allowing for a deeper understanding of the relationship between biochemical processes and physiological conditions. Targeted and untargeted mass spectrometry methods are commonly used, with data-dependent acquisition (DDA) offering the potential for improved metabolite assignment in untargeted metabolomics. However, DDA settings are more complex and prone to errors compared to data-independent acquisition (DIA).

MASS SPECTROMETRY REVIEWS (2023)

Article Spectroscopy

A variable selection method based on mutual information and variance inflation factor

Jiehong Cheng, Jun Sun, Kunshan Yao, Min Xu, Yan Cao

Summary: Feature selection plays a vital role in reducing dimensionality in the quantitative analysis of high-dimensional data. This paper proposes a variable selection method called Mutual Information-Variance Inflation Factor (MI-VIF) that combines mutual information (MI) and the variance inflation factor (VIF). By maximizing the correlation between the independent variable and the response variable and minimizing multicollinearity, MI-VIF achieves effective feature selection.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2022)

Review Instruments & Instrumentation

Graphene-based SERS for sensor and catalysis

Yi Cao, Yuqing Cheng, Mengtao Sun

Summary: Graphene with its unique structure and excellent properties, combined with metal nanoparticles, can generate plasmon coupling effects, which have wide-ranging applications. Graphene-based SERS sensors and catalytic devices have great potential in medical monitoring, food inspection, and biomedical fields.

APPLIED SPECTROSCOPY REVIEWS (2023)

Review Instruments & Instrumentation

Overview of imaging methods based on terahertz time-domain spectroscopy

Qi Wang, Lijuan Xie, Yibin Ying

Summary: Due to the unique characteristics of terahertz (THz) waves, such as low-energy, penetrating, and broadband, THz imaging has been regarded as cutting-edge technology in many fields. High-performance THz imaging systems are becoming indispensable as technology demand grows. The ability of THz time-domain spectroscopy (THz-TDS) system to extract spectra from amplitude and phase information opens virtually unlimited possibilities for imaging applications. Researchers are focusing on fast imaging components and the latest developments of THz-TDS-based imaging methods to improve performance further.

APPLIED SPECTROSCOPY REVIEWS (2022)

Review Spectroscopy

Recent advances (2019-2021) of capillary electrophoresis-mass spectrometry for multilevel proteomics

Daoyang Chen, Elijah N. McCool, Zhichang Yang, Xiaojing Shen, Rachele A. Lubeckyj, Tian Xu, Qianjie Wang, Liangliang Sun

Summary: This review presents the recent advances of capillary electrophoresis-mass spectrometry (CE-MS) for multilevel proteomics, including technological progress and biological applications. CE-MS has emerged as a valuable alternative to liquid chromatography-mass spectrometry due to its efficient separation and sensitive detection for peptides, proteoforms, and protein complexes.

MASS SPECTROMETRY REVIEWS (2023)

Review Spectroscopy

A History of Molecular Level Analysis of Natural Organic Matter by Fticr Mass Spectrometry and The Paradigm Shift in Organic Geochemistry

William T. Cooper, Jeffrey C. Chanton, Juliana D'Andrilli, Suzanne B. Hodgkins, David C. Podgorski, Alexandra C. Stenson, Malak M. Tfaily, Rachel M. Wilson

Summary: Natural organic matter (NOM) is a complex mixture of biogenic molecules with important roles in geological, geochemical, and environmental processes, particularly in response to a warming climate. High-field FTICR MS technology can help identify individual components of NOM mixtures, with great potential for future carbon cycling research.

MASS SPECTROMETRY REVIEWS (2022)

Article Spectroscopy

A highly selective and sensitive salamo-salen-salamo hybrid fluorometic chemosensor for identification of Zn2+ and the continuous recognition of phosphate anions

Wen-Kui Dong, Jin-Qiang Zhang, Ming-Xia Du

Summary: A novel and highly selective fluorescent chemical sensor for Zn2+ and phosphate anions has been synthesized and characterized. The identification processes and coordination mechanism have been explored using characterization methods. The sensors show promising potential in the detection of Zn2+ and phosphate anions.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2022)

Article Spectroscopy

Mesoporous silica coated core-shell nanoparticles substrate for size-selective SERS detection of chloramphenicol

Heera Jayan, Da-Wen Sun, Hongbin Pu, Qingyi Wei

Summary: In this study, a novel plasmonic nanoparticles substrate with a mesoporous coating was synthesized for selective enhancement and detection of small molecules. The substrate showed high sensitivity and reproducibility, achieving the detection of chloramphenicol in milk samples. The addition of the mesoporous coating provided additional stability to the nanoparticles, allowing for substrate reusability.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2023)

Article Spectroscopy

Quick and sensitive colorimetric detection of amino acid with functionalized-silver/copper nanoparticles in the presence of cross linker, and bacteria detection by using DNA-template nanoparticles as peroxidase activity

Ashkan Bahadoran, Mahmoud Khoshnoudi Jabarabadi, Zaid Hameed Mahmood, Dmitry Bokov, Baadal Jushi Janani, Ali Fakhri

Summary: In this project, poly (citric acid) functionalized nano Ag/Cu was synthesized for rapid detection of cysteine and Streptococcus pneumoniae. The prepared nano probe exhibited high sensitivity and detection limit, showcasing its significance for food safety and human health.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2022)