Unsupervised Analysis of Big ToF-SIMS Data Sets: a Statistical Pattern Recognition Approach

被引：13

作者：

Tuccitto, Nunzio ^{[1
]}

Capizzi, Giacomo ^{[2
]}

Torrisi, Alberto ^{[1
]}

Licciardello, Antonino ^{[1
]}

机构：

[1] Univ Catania, Dipartimento Sci Chim, Viale A Doria 6, I-95125 Catania, Italy

[2] Univ Catania, Dipartimento Ingn Elettr Elettron & Informat, Viale A Doria 6, I-95125 Catania, Italy

来源：

ANALYTICAL CHEMISTRY | 2018年 / 90卷 / 04期

关键词：

ION MASS-SPECTROMETRY; PRINCIPAL COMPONENT ANALYSIS; HUMAN-SERUM-ALBUMIN; MULTIVARIATE-ANALYSIS; IRON COMPLEXES; THIN-FILMS; PCA METHOD; LACTOFERRIN; RESOLUTION; SURFACES;

D O I：

10.1021/acs.analchem.7b05003

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

We present a new method, fast and low demanding in terms of CPU performances, which is able to extract latent chemical information from ToF-SIMS big data sets, such as those arising from chemical imaging, by working on the unbinned raw data files. The method is able to evaluate the similarity/dissimilarity of very low intensity spectra, such as those arising from a single pixel, in terms of symmetry and asymmetry relationships of the count distribution in the Fourier transform domain. The tests performed so far on model samples show that the method supplies results that, without sacrificing mass or spatial resolution, are equivalent, at least, to those achievable by an experienced ToF-SIMS user by applying PCA techniques.

引用

页码：2860 / 2866

页数：7

共 27 条

[1] ToF-SIMS investigation of the thermally induced processes at the surface of polyester based polymer blends [J].

Auditore, A ;

Samperi, F ;

Puglisi, C ;

Licciardello, A .

COMPOSITES SCIENCE AND TECHNOLOGY, 2003, 63 (08) :1213-1219

[2] CHEMICAL-ANALYSIS OF INORGANIC AND ORGANIC-SURFACES AND THIN-FILMS BY STATIC TIME-OF-FLIGHT SECONDARY-ION MASS-SPECTROMETRY (TOF-SIMS) [J].

BENNINGHOVEN, A .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1994, 33 (10) :1023-1043

[3]

Bishop C.M., 1995, Neural networks for pattern recognition

[4] Principal component analysis [J].

Bro, Rasmus ;

Smilde, Age K. .

ANALYTICAL METHODS, 2014, 6 (09) :2812-2831

[5] Chemical Visualization of Sweat Pores in Fingerprints Using GO Enhanced TOF-SIMS [J].

Cai, Lesi ;

Xia, Meng-Chan ;

Wang, Zhaoying ;

Zhao, Ya-Bin ;

Li, Zhanping ;

Zhang, Sichun ;

Zhang, Xinrong .

ANALYTICAL CHEMISTRY, 2017, 89 (16) :8372-8376

[6] Molecular Surface Analysis and Depth-Profiling of Polyethylene Modified by an Atmospheric Ar-D2O Post-Discharge [J].

Cristaudo, Vanina ;

Collette, Stephanie ;

Tuccitto, Nunzio ;

Poleunis, Claude ;

Melchiorre, Luigi Cesare ;

Licciardello, Antonino ;

Reniers, Francois ;

Delcorte, Arnaud .

PLASMA PROCESSES AND POLYMERS, 2016, 13 (11) :1106-1119

[7] Rapid multivariate analysis of 3D ToF-SIMS data: graphical processor units (GPUs) and low-discrepancy subsampling for large-scale principal component analysis [J].

Cumpson, Peter J. ;

Fletcher, Ian W. ;

Sano, Naoko ;

Barlow, Anders J. .

SURFACE AND INTERFACE ANALYSIS, 2016, 48 (12) :1328-1336

[8] Multivariate analysis of extremely large ToFSIMS imaging datasets by a rapid PCA method [J].

Cumpson, Peter J. ;

Sano, Naoko ;

Fletcher, Ian W. ;

Portoles, Jose F. ;

Bravo-Sanchez, Mariela ;

Barlow, Anders J. .

SURFACE AND INTERFACE ANALYSIS, 2015, 47 (10) :986-993

[9] Chelating Surfaces for Native State Proteins Patterning: The Human Serum Albumin Case [J].

Giamblanco, Nicoletta ;

Tuccitto, Nunzio ;

Zappala, Gabriella ;

Sfuncia, Gianfranco ;

Licciardello, Antonino ;

Marletta, Giovanni .

ACS APPLIED MATERIALS & INTERFACES, 2015, 7 (41) :23353-23363

[10] Coadsorption-dependent orientation of fibronectin epitopes at hydrophilic gold surfaces [J].

Giamblanco, Nicoletta ;

Zhavnerko, Genady ;

Tuccitto, Nunzio ;

Licciardello, Antonino ;

Marletta, Giovanni .

SOFT MATTER, 2012, 8 (32) :8370-8378

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