المصدر: Infrared spectroscopy in clinical chemistry, using chemometric calibration techniques في منتدى : قسم الكيمياء Infrared spectroscopy in clinical chemistry, using chemometric calibration techniques Contents Scope of the thesis 1 Introduction 3 1. Patho-physiology 4 1.1. Steatorrhea 4 1.2. Urolithiasis 8 2. Analytical methods: 14 2.1. Reference methods: 14 2.1.1. Fecal fat analysis: 14 2.1.1.1. Van de Kamer method 14 2.1.1.2. Gas chromatography 17 2.1.2. Urinary calculus analysis: 21 2.1.2.1. Wet and dry chemical analysis 21 2.1.2.2. X-ray diffraction 24 2.2. Infrared spectroscopy and sample handling techniques 27 3. Chemometrics 39 3.1. General 39 3.2. Multivariate calibration methods 42 3.2.1. PLS regression 42 3.2.2. Neural networks 56 3.3. Spectral library search 69 4. Future trends (state of the art) 73 References 79 Part I. The analysis of fecal fat 89 Chapter 1 New method for fecal fat determination by midinfrared spectroscopy, using a transmission cell: an improvement in standardization. Ann Clin Biochem 2000;37:343-349. 91 Chapter 2 An enhanced time-saving extraction procedure for the analysis of fecal fat by means of Fourier Transform Infrared spectroscopy. Clin Chem 2000;46(7):1019-1020. 101 Chapter 3 A new NIR spectroscopic method for the determination of fecal fat. Ann Clin Biochem 2001;38:256-263. 105 Part II. Urinary calculus analysis 117 Chapter 4 Partial Least-Squares regression for routine analysis of urinary calculus composition with Fourier Transform Infrared analysis. Clin Chem 1993;39(6):948-954. 119 Chapter 5 Artificial neural network predictions of urinary calculus compositions analyzed with infrared spectroscopy. Clin Chem 1994 ;40(9):1692-1697. 133 Chapter 6 Infrared analysis of urinary calculi by a single reflection accessory and a neural network interpretation algorithm. Clin Chem 2001;47(7):1287-1296. 145 Chapter 7 Neuranet: The computer application for analyzing IR spectra of urinary calculi using an artificial neural network and library search. 163 Summary 193 Samenvatting 199 Dankwoord 205 الرابط: -_proefschri.pdf
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