Aplicaciones Medicas FTIR

8/13/2019 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

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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!!!

Aplicaciones Medicas FTIR

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