Information technologies for comprehensive two-dimensional gas chromatography

Comprehensive two-dimensional gas chromatography (GCGC) presents information technology challenges in data handling, visualization, processing, analysis and reporting. With its significantly greater separation capacity, GCGC generates data sets that are two to three orders-of-magnitude larger than for conventional GC and that exhibit an order-of-magnitude or more distinct peaks in complex multidimensional patterns. GCGC is a much richer source of data for chemical analyses, but extracting relevant information from the large, complex data sets requires advanced information technologies. This paper reviews a range of state-of-the-art information technologies for GCGC, including graphical user-interfaces (GUIs), computer graphics for data visualization, data file formats for storage and interchange, digital image processing, image analysis and pattern recognition, data and information formats, and software architecture and engineering. D 2004 Published by Elsevier B.V.

[1]  not Cwi,et al.  XHTML™ 1.0 The Extensible HyperText Markup Language , 2002 .

[2]  James Gosling.  Java : an Overview , 2022 .

[3]  GCxGC Blob Metadata and Statistics in GC Image , .

[4]  C. M. Sperberg-McQueen,et al.  Extensible Markup Language (XML) , 1997, World Wide Web J..

[5]  J. de Boer,et al.  Two-dimensional gas chromatography , 1998 .

[6]  William Rucklidge,et al.  Efficient Visual Recognition Using the Hausdorff Distance , 1996, Lecture Notes in Computer Science.

[7]  Stephen E. Reichenbach,et al.  A statistics-guided progressive RAST algorithm for peak template matching in GCxGC , 2003, IEEE Workshop on Statistical Signal Processing, 2003.

[8]  Kevin Sowizral,et al.  The Java 3D API Specification , 1997 .

[9]  Rajeev Motwani,et al.  Geometric shape matching and drug design , 1999 .

[10]  David C. Fallside,et al.  Xml schema part 0: primer , 2000 .

[11]  Stephen E. Reichenbach,et al.  GUI State-based Accessibility Control in Hierarchical State Machines , 2005, Software Engineering Research and Practice.

[12]  Steven K. Feiner,et al.  Computer graphics (2nd ed. in C): principles and practice , 1995 .

[13]  Bernard J. Jansen,et al.  The Graphical User Interface: An Introduction , 1998 .

[14]  Tadeusz Górecki,et al.  COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY ( GC × GC ) , 2003 .

[15]  Mark Segal,et al.  The OpenGL Graphics System: A Specification , 2004 .

[16]  Tadeusz Górecki,et al.  On the interpretation of GC x GC data , 2002 .

[17]  Daniel P. Huttenlocher,et al.  Comparing Images Using the Hausdorff Distance , 1993, IEEE Trans. Pattern Anal. Mach. Intell..

[18]  Thomas M. Breuel.  A practical, globally optimal algorithm for geometric matching under uncertainty , 2001, Electron. Notes Theor. Comput. Sci..

[19]  Thomas M. Breuel,et al.  Fast recognition using adaptive subdivisions of transformation space , 1992, Proceedings 1992 IEEE Computer Society Conference on Computer Vision and Pattern Recognition.

[20]  Serge Beucher,et al.  Use of watersheds in contour detection , 1979 .

[21]  Alan Bundy,et al.  Constructing Induction Rules for Deductive Synthesis Proofs , 2006, CLASE.

[22]  Haim J. Wolfson,et al.  Geometric hashing: an overview , 1997 .

[23]  Stephen E Reichenbach,et al.  Image background removal in comprehensive two-dimensional gas chromatography. , 2003, Journal of chromatography. A.

[24]  Mary Beth Rosson,et al.  Survey on user interface programming , 1992, CHI.

[25]  James Clark,et al.  XSL Transformations (XSLT) Version 1.0 , 1999 .

[26]  J. Gross,et al.  Graph Theory and Its Applications , 1998 .

[27]  William Grimson,et al.  Object recognition by computer - the role of geometric constraints , 1991 .

[28]  Guy L. Steele,et al.  The Java Language Specification , 1996 .

[29]  Y. N. Singh,et al.  Kava: an overview. , 1992, Journal of ethnopharmacology.

[30]  Bernard J. Jansen,et al.  The graphical user interface , 1998, SGCH.

[31]  Bernard Harris,et al.  Graph theory and its applications , 1970 .

[32]  M. Carter.  Computer graphics: Principles and practice , 1997 .

[33]  Method 8276: Toxaphene and Toxaphene Congeners By Gas Chromatography/Negative Ion Chemical Ionization Mass Spectrometry (GC-NICI/MS), part of Test Methods for Evaluating Solid Waste, Physical/Chemical Methods , 2022 .

[34]  Stephen E. Reichenbach,et al.  MCMC-based peak template matching for GCxGC , 2003, IEEE Workshop on Statistical Signal Processing, 2003.

[35]  W. Bertsch,et al.  Two‐Dimensional Gas Chromatography. Concepts, Instrumentation, and Applications – Part 2: Comprehensive Two‐Dimensional Gas Chromatography , 2000 .

[36]  Bernie Mulgrew,et al.  IEEE Workshop on Statistical Signal Processing , 2005 .

[37]  大野 義夫,et al.  Computer Graphics : Principles and Practice, 2nd edition, J.D. Foley, A.van Dam, S.K. Feiner, J.F. Hughes, Addison-Wesley, 1990 , 1991 .

[38]  Aw Drews,et al.  Standard Test Method for Boiling Range Distribution of Petroleum Fractions by Gas Chromatography , 1998 .