Aplicaciones Medicas FTIR
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Transcript of Aplicaciones Medicas FTIR
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NEW APPLICATION OF
INFRARED SPECTROSCOPYIN MEDICAL DIAGNOSIS
Prof. Jnos Mink
Department of Molecular Spectroscopy
Institute of Structural Chemistry
Chemical Research Center of the
Hungarian Academy of Sciences
H-1025-Budapest
Pusztaszeri str. 59-67.
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Chemical Research Center of HAS
Department of Molecular Spectroscopy
Laboratories: Infrared and Raman Spectroscopic Lab.
ESR Spectroscopic Lab.
NMR Spectroscopic Lab.
Laser Spectroscopic Lab. Professors:
Lszl Biczk
Gbor Keresztury
Jnos Mink
Lsz Nemes Antal Rockenbauer
Tams Vidczy
2816 young scientists / PhD students
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University of Pannonia (Veszprm)
Research group:5 (4) PhD / young scientists
PhD School:Material Science and Technology
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Infrared and Raman Laboratory
Budapest: 2 FT-Raman systems
FTIR Microscope with FPA detector (micro ATR)
FTIR Microscope
2 FTIR spectrometer (ATR)
FTIR emission system
FTIR-GC system
Veszprm:
FTIR research grade
2 FTIR routine Far-IR system
Open-path FTIR
S
13 spectrometer
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Extended Collaborations
Surface study:ATR; IRRAS; DRIFTS; EMISSION; LB- films; coatings; polymer surfaces; dispersed catalysts;
archeological samples
Analytical studies:HPLC-FTIR; GC-FTIR;TLC-Raman
Environmental studies:atmospheric pollutants;aerosol-microscopy
Theoretical studies:DFT;ab initio
; Chemometrsics;etc.
Medical applications:human hair and skin
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One fingerprint
Four fingerprints
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Discovery of the spectral effects
Hair:
Narcotics in hair
Effects of bleaching
Effects of UV-radiation
Skin:
Moisture content
Lipid content
Effects of cosmetics
(Literature)
Unexpected spectral
differences
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Spectral parameters
Band position
Band intensities
Band widths
Spectral subtraction
First derivative
Second derivative
Band deconvolution
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Statistical data processing
artificial neural network (ANN),
principal component analysis (PCA) and factor analysis (FA),principal component regression (PCR),
partial minimum squares (PMS),
Cluster analysis (CA),
generic algorithms (GA).
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SKIN
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Difference IR spectrum of two
healthy patients is very small
0.2.4.6.81
1.21.4
Absorbance
1750 1700 1650 1600 1550 1500 1450Wavenumber (cm
-)
difference
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Spectral deviations between
healthy and ill patients,
exhibiting different RIAR values
-.15
-.1
-.05
0
.05
.1
.15
.2
Arbitrary
1700 1600 1500 1400 1300 1200 1100 1000 900
Wavenumber(cm- )
1550 RIAR
720 RIAR
20 RIAR
-.15
-.1
-.05
0
.05
.1
.15
.2
1600 1500 1400 1300 1200 1100 1000 900
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RIAR - Relative Infrared Analytical Risk
RIAR
valuesClassifications
Category of healthy
condition
0-400 Healthy 1
400-600 Weakly endangered 2
600-800 Endangered 3
800-1800 Highly endangered 4
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Deviation of a healthy patients spectra from the
averaged spectra of healthy patients
(minimum 20-40 persons)
RIARRelative Infrared Analytical Risk
A r a nk a
0
20 0
40 0
60 0
80 0
100 0
120 0
140 0
160 0
180 0
1 3 4 7 9 1 0 1 1 1 2 1 4
da y
RIAR
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Process of recovery monitored by infrared spectra of the
skin belonging to a patient suffering in pancreas cancer.
Green line is the limit value of healthy patients
1704
1220
164
0
200
400
600
800
1000
1200
1400
1600
1800
1 64 147day
RIA
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Distribution between different types of
diseases of 820 ill patients measured by
FTIR spectra of their skin
820 personsTotal
(5%)40 personsAllergy
(8%)67 personsDiabetes
(9%)74 personsLesions of nervous system
(10%)82 personsDiseases of gastrointestinal segments
(33%)270 personsCancerous diseases
(35%)287 personsDiseases of cardiovascular system
820 personsTotal
(5%)40 personsAllergy
(8%)67 personsDiabetes
(9%)74 personsLesions of nervous system
(10%)82 personsDiseases of gastrointestinal segments
(33%)270 personsCancerous diseases
(35%)287 personsDiseases of cardiovascular system
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Results of measurements for 380 patients
declaring themselves as healthy in
accordance of their genial state of health
Qualification Numbers Percent
Healthy or weakly
endangered152 40%
Endangered 137 36%
Highly
endangered91 24%
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Results of 39 diabetic patients and 59
healthy persons analyzed by Principal
Component Analysis (PCA)
8 8.2 8.4 8.6 8.8 9 9.2
-1.4
-1.2
-1
-0.8
-0.6
-0.4
-0.2
0
0.2
0.4
0.6
diabetic
healthy
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HAIR
Infrared spectra of untreated (lower trace) and bleached (upper trace) female hair sample.
The difference spectrum is given below (dashed line, with 5x ordinate expansion)
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Comparison of human hair infrared spectra of a
healthy (lower trace, full line) and a breast cancer
patient (upper trace, dashed line)
1800 1700 1600 1500 1400 1300 1200 1100 1000 900
Wavenumber(cm-1)
Absorbance
0.5 A.U.
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Difference spectrum of healthy and
breast cancer patients hair samples
1800 1700 1600 1500 1400 1300 1200 1100 1000 900
Wavenumber(cm-1)
Absorbance
0.02 A.U.
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Plot of PCA scores for infrared
spectra of hair samples
-Healthy female scores (negative), -healthy male scores (positive), -breast
cancer patients scores
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Partners
Stockholm University (Electron Microscopy)
Institute fr Innovative Diagnostik (Ulm)
Municipal Clinic (XVI District, Budapest)
LaborTrading Ltd./Varian (Instrumentation)
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PRE-DIAGNOSIS BY OPTICAL METHODS
EXPERIMENTAL METHODS IN LABORATORIES
Full diagnosis
and therapyPatient
RIAR software
Skin
Hair
1
2
Categories of health conditions
12
34
Category 2-4Preliminaryevaluation
Chemo
metric
(Statisticaldataprocessing)
Measu
rement MEDICAL CONTROL IN HOSPITAL
Repeating the
measurement
checking the
diagnosis
Classification
Preliminary comparison
with medical control of
health conditions
(4 categories)
Disagreement
34
Agreement
Category 1 = healthylibrary (averaging)
IR measurements
Skin (in situ)Hair (laboratory)
IR spectra IR images(Selected samples)
EM structures
(Selected samples)Illness diagnosis from hospitals
Chemometric
Categories 2-4
Classes
of similarities
Chemometric Structures
Classes
of similarities
Classes
of similaritiesType of illnesses
A
B
C
D
-
-
-
B
C
D
-
-
A
C
D
-
-
B
Illness specific libraries
A
B
C
D
E
F
Skin Hair
-
-
D
E
-
B
Hair Hair
Scheme I
(Involves WP 1.1 - WP 1.9 work packages)
WP 1.1
WP 1.3
WP 1.2
WP 1.4
WP 1.5
WP 1.6
WP 1.7
WP 1.8
SUMMARY OF THE TWO YEARS RESULTSWP 1.9 SUMMARY OF THE RESULTS
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Transmission FT-IR imaging of
human hair
Cuticle
Cortex
Medulla
A B
Images based on the absorption of the CH stretching band (collagen) (A),
the Amide I band (protein) (B), of hair
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ADVANTAGES
Detection (health condition)
Prevention (early diagnosis)
Monitoring Diagnosis (under investigation)
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CHALLANGING
Simple methods
Quick measurement (hair: ~1 min, skin: ~ min)
Not invasive and painless Relative cheap
Screening test in mass measures
Patients showed very positive attitudes
PhD t d t d
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PhD students and
young co-workers
Lszl Kocsis va Pfeifer Viktria Komlsi
Bernadett Ills Lszl HajbaVeronika Gombs
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Csaba Nmeth Dr. Kroly Hberger
Katalin MdlyZsuzsanna Kovcs
Dr. Gbor Keresztury
Dr. Judith Mihly Dr. Zoltn Bacsik
Co-workers
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It was my great pleasure to
be with you:
Thanksfor Jenny, Carolyn, Jennifer, Kevin, Imre, Glenn,Chris, Mark, George, Baijn and Sam
Special thanksfor April H. Foley, Ambassador ofUnited States
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Thanks for your kindattention!!!