nir applications phk [compatibility mode]

8/10/2019 NIR Applications Phk [Compatibility Mode]

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FT-NIR Spectroscopy for Food and

Subtitle


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If youre going to need a year to train a horseto locate contriband pick a musical one

We all know that exceptionally well-

designed, manufactured, delivered and

(necessarily) make great Analytical

Methods


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If youre going to need a year to train a horseto locate contriband pick a musical one

We all know that exceptionally well-

designed, manufactured, delivered and

(necessarily) make great Analytical

Methods

Clever p e o p l e make great AnalyticalMethods

A clever person can make sound and

successful methods with the simplest of

tools or lar el incom lete tools for the

job, by learning to apply them to the

greatest advantage


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If youre going to need a year to train a dogto locate contriband pick a musical one

However, given the chance, clever

p e o p l e will pick exceptionally well, ,

installed i n st r u m e n t s because it will

make their job a whole lot easier!

Clever people together with greatinstruments can make exceptional

na y ca e o s


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If youre going to need a year to train a dogto locate contriband pick one with a greatgreat nose


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If youre going to need a year to train a dogto locate contriband pick one with a greatgreat nose - an an inc ination to use it!


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The MPA Multi-Purpose Analyzer

multiple measurement accessories for

different sampling techniques: er p c ro es

Integrating Sphere

automated Sample Wheel

Sam le Rotator

software controlled measurement

accessories selection full line of sampling accessories and

options


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Unique Features of Bruker MPA

Custom-made Instrument:

Each customer buys exactly the instrument that matches his application.There is no need to purchase anything that is not wanted or needed.

MPA fully equippedMPA basic configuration


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Maximum Flexibility:

Fi er OpticProbes

Samp eCompartment

IntegratingExternalp ereransm ss on


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The MATRIX-F

compact Process Spectrometer

with RocksolidTM

Interferometer mo u ar es gn

robust, rugged and waterproof

high long-run Stability

high measuring Accuracy

unrestricted Method Transfer possible

all Components in 19 Geometry


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The MATRIX-I

based on the optical module of MATRIX-F

robust, rugged and waterproof fixed, gold-coated Integration Sphere

vibration and temperature insensitive

at-line and in-line Installation

used for heterogeneous and coarse-

gra ne ma er a s

much better light efficiency than probes


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Calibration Transfer:

e except ona per ormance o t e nstrument ensures a smootcalibration transfer not only to other MPA instruments but also to the

MATRIXprocess spectrometers.


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Calibration Transfer:

e except ona per ormance o t e nstrument ensures a smootcalibration transfer not only to other MPA instruments but also to the

MATRIXprocess spectrometers.

One Calibration


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Spectrometer Calibration at H20 Vapor Bands

. 025

a

resolution = 25 cm -1.

020

eams

pectr

resolution = 2 cm -1. 015S

ing

le

. 010

target: 7.306,74 cm-1

7800 7600 7400 7200 7000 6800 6600Wavenumber / cm-1


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OPUS spectroscopy software:

ex e so tware, opt m ze orthe special demands of the FT-

NIR technology.

Various software acka es enable a ualitative as well as a uantitativeanalysis of the samples.

Modular design, additional software packages can seamlessly beintegrated in the existing OPUS suite.

The customer is able to use all software functions without any restriction.


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OPUS/IDENT:

Identification software with factor

analysis as well as with the Euclidian

distance calculations

Hierarchical libraries offer the

identification of samples in multiple

lar e libraries ossible >2 000

samples)

g egree o separa on, even

with very similar products!


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OPUS/QUANT:

Quantification software with

automated calibration function:

user defined optimization regions

functions

even inex erienced users to

generate calibrations at a push of a

button

the process of time consuming

method generation and optimization


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OPUS/LAB:

Easy-to-use interface for the

even inex erienced users can

use OPUS/LAB

pre-defined order of events

no mistakes

freely configurable to the needs

of your users


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Full GMP and 21 CFR part 11 compliance:

OPUS in combination with the MPAcomplies with regulations issued

by ISO, ASTM, FDA and USP.

full GMP capabilities like multiplesecurity levels, non-editable data files

.

electronic records and signatures.

Bruker Optics is a certified supplier and

companies.


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Training:

free training after the installationof the instrument

erman ra n ng courses w ce a year

English training course once a year

personal in-house training at thecustomers facility on demand

every instrument is supported by anexpert who is available for you when


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Areas of Application

ChemistryPetro & Polymer

Food & FeedPharma

Cosmetics


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Sample Forms

Powders Tablets Seeds Paper Liquids

Granulates Phials Foils

Coatings

Emulsions

Pastes Resins


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Limits of NIR Technology

Detection of C-H-, N-H-, O-H- and C=O-vibrations

(mainly examination of organic compounds).

The NIR-technique is currently not suitable for trace analysis

Usually in the percentage range, sometimes down to 0.1%

Examination of complex mixtures (> 5-7 components)usually demands a higher calibration effort.

NIR is often not suitable for the identification of unknown samples.


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-

How does a quantitative analysis work?

Analysis

rr

r

rrr

rr

r

r

rr

Factors

1

2

Spectra

0.6

0.

7

0.8

0.9

Units

Reference

rrrr

rr

r

r

r

r3

4

5500060007000800090001000011000Wavenumber cm-1

0.2

0.3

0.4

0.5

Absorbance

Building up acalibration curve

Calculation of thespectral parameters

Measurement of spectra

with known concentration

- uantif in unknown Sam les

1.5 % Comp. A

34 % Comp. B

62% Comp. C

e erm na on oconcentration(s)

na ys s ounknown spectrum

Measurement ofunknown samples


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Pharmaceutical A lications

Subtitle


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NIR Applications of Pharmaceuticals

Substance Identification in the Receipt of Goods

Quantification of active Materials (APIs)

auxiliary Materials

Fi ers

in Powders, Capsules, Tablets or Vials

Drying Processes

Blending Solvent Recovery

...


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Calibration of active Ingredients

Calibration of

Ibuprofene Paracetamol

in Tablets

measued with

External Transmission Unit


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Ibuprofen in Tablets

73

69

e/%

65

67

NIRva

lu

61

63

59

59 61 63 65 67 69 71 73

reference value / %


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Paracetamol in Tablets

94

90

e/%

86

88

NIRva

lu

82

84

80

80 82 84 86 88 90 92 94

reference value / %


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Calibration of active Ingredients

Results:

R2

Range RMSECV

Ibuprofene 99.41 60 - 74% 0.3%

Paracetamol 99.46 81 - 94% 0.3%


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Ingredients of Vitamin Solutions

Calibration of

Methanol Water

Sugar

in Vitamin B2 Solution

measured with

1 mm Transmission Probe


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Methanol in Vitamin B2 Solution

59

53

55

e/%

49

51

NIRvalu

45

47

43

43 45 47 49 51 53 55 57 59

reference value / %


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Water in Vitamin B2 Solution

50

45

e/%

40

NIRvalu

35

30

30 35 40 45 50

reference value / %


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Sugar in Vitamin B2 Solution

10

8e/%

7

NIRvalu

6

5

5 6 7 8 9 10

reference value / %


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Calibration of Ingredients

Results:

R2

Range RMSEP

Methanol 99.87 44 - 59% 0.18%

Water 99.92 31 - 49% 0.15%

Sugar 99.33 5.5 - 9.6% 0.11%


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Cosmetics A lications

Subtitle


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Calibration of Shampoo

Calibration of

Wash Active Substancesin Shampoo

measured at 30

oC

in the Sample Compartment


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Wash Active Substances in Shampoo

265

kg

225

245

/mmol

185

205

IRvalu

145

165

145 165 185 205 225 245 265 285

reference value / mmol/kg


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Calibration of Shampoo

Results:

R

2

Range RMSECV

WAS 99.43 150-282 2.5 [mmol/kg]


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Surfactant in aqueous Solution

80

lue/%

20NIR

v

0

0 20 40 60 80

reference value / %


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Food & Feed A lications

Subtitle


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M P A with Integrating Sphere and Sample Compartment


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M P A Int.Sphere/Sample Comp./Transmission Unit


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MPA with Petri Dish Rotator


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MPA with Rotator and Transmission Unit


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Starter Calibrationsfor Food Aapplications


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Food Starter Calibrations for turn-keysolutions

Multiple Packages

- -

B-MEA-M Meat

- -

Single Package

PriceList

B-DAI-S Dairy

B-MEA-S Meat

B-OIL-S Edible Oils


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NIR Starter Calibration Packages: Dairy

Liquid Milk and Milk Products in Transmission (1mm flow cell)

aw an w o e m

Whey

Whey protein concentrate

Lactose Concentrate

Brine (Mozzarella)

Cleaning and disinfection solvents


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Starter Calibration for Milk Powder

Calibration of

Protein

Ash

Lactose

in Milk Powder

Measured on the sphere with IN311/C

+ IN311-S


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Measurements of melamine in milk powder

.8

0.9

1.2

1.4

Pure milk powder (red)

0.7

nits

0.6

0.8

1.0

0.5

0.6

Absorb

ance

400050006000700080009000100001100012000

0.2

0.4

0

.3

0.4

Pure melamine (blue)

400050006000700080009000100001100012000

Wavenumber cm-1

50


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1.4

0

. .

.0

1.2

s

0.3

5

0.

-1

0.8

1.

Absorbance

Unit

0.3

0

0.4

0.6 60006200640066006800700072000.2

5

400050006000700080009000100001100012000

Wavenumber cm-1

0.2

51


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NIR-Calibration melamine in milk powder3.2

2.2

2.7

ion/%

= .

RMSECV= 0.057

1.2

1.7

R-Predict

0.7

NI

.

0.2 0.7 1.2 1.7 2.2 2.7 3.2

True Value / %

52


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Measurements of melamine in liquid milk

0

3.5

Liquid milk of 1.5% and 3.5% of fat with admixture of melamine from 0.05% - 0.3%

.0

2.5

3.

1.0

1.5

2

Absorbanc

e

Units

0.0

0.5

400050006000700080009000100001100012000

Wavenumber cm-1

-0.5

53


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Measurements of melamine in liquid milk

NIR-Calibration melamine in liquid milk

0.31

0.26

ion/%

= .

RMSECV= 0.0042

0.16

.

R-Predict

0.11NI

.

0.06 0.11 0.16 0.21 0.26 0.31

True Value / %

54


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Measurement: Oils in Sample Compartment

Instrumentation:

- u urpose na yzer

- MPA-C: Sample Compartment

-

- IN601C08: Insert for Vials

-

Resolution: 8 cm-1

No. of Scans: 32 Scans Temperature: 50

oC


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External Heating Block


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Universal Calibrations

Property Data Set Performance

Name Unit n Min Max Rank R2

SEPIodine Value IV 607 0.1 133 9 99.9 0.56

Trans Fatty Acids % 532 0.0 60.4 13 99.9 0.61

TFA low range % 243 0.0 2.6 11 93.2 0.17

These calibrations should normally work without further adaptation

with common customer samples.


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Measurement: Trans content in Fats/Oils

trans content wasexpressed as %FA

Universal trans contentcalibration covers transcontent from 0 to 56 FA


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Starter Calibrations

Property Data Set Performance

Name Unit n Min Max Rank R2

SEPAnisidine Value AnV 270 0 195 14 95.2 8.64

Free Fatty Acids % 790 0.1 6.0 9 99.8 0.09

C16:0 (Palmitic Acid) % 608 4 16 10 95.2 0.50

C18:0 (Stearic Acid) % 660 1.8 92 15 98.2 1.41

C18:0 (Stearic Acid) % 482 1.6 6 14 94.3 0.25

C18:1 (Oleic Acid) % 800 0 85 17 99.9 0.65

C18:2 (Linoleic Acid) % 597 2.5 67 12 99.9 0.20

C18:3 (Linolenic Acid) % 412 0 9.5 10 99.3 0.20

Customer samples should be added for optimum performance.


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Mix of ingredients for animal feed

Energy Source

wheat, barley, corn, oats, fat, molassesetc.

Vegetable Proteinsoya, rapesee s, sun ower see s etc.

Crude Fibers , , .

Minerals

, , ,etc.


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Task of a Nutritionist: the best feed inconstant quality for the lowest price

For the optimization of the mixed feed the Nutritionist needs to know

the property values of the raw materials for:protein, moisture (dry matter), fiber, oil (fat) and ash.

For this task classical wet chemistry is slow and expensive!

This is a NIR task!


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