1. SOCIO–ECONOMIC PROJECTION OF ANALYTICAL CHEMISTRY
FOUNDATIONS OF ANALYTICAL CHEMISTRY
BLOCK III
SOCIO–ECONOMIC PROJECTION
OF ANALYTICAL CHEMISTRY
Chapter 7.
Chapter 8.
Chapter 9.
Analytical problem-solving
Analytical Chemistry and quality
Social responsibility of Analytical
Chemistry
BLOCK I. INTRODUCTION TO ANALYTICAL CHEMISTRY
BLOCK II. THE ANALYTICAL PROCESS
ANNEX 1. GLOSSARY OF TERMS
ANNEX 2. ANSWERS TO THE QUESTIONS
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2. Chapter 7: Analytical problem-solving
BLOCK III
SOCIO–ECONOMIC PROJECTION OF ANALYTICAL CHEMISTRY
Chapter 7: Analytical problem-solving
Contents
Introduction to Block III
Introduccion to the chapter
The concept of “problem” in Analytical Chemistry
Integral definition of “analytical problem”
Elements of an analytical problem
Steps of the analytical problem-solving process
Concluding remarks:
Consistency between required and delivered information
Analytical problem and quality
Teaching objectives
To introduce students to the concept “analytical problem” and its elements.
To describe the general steps of the analytical problem-solving process.
To compare required information and delivered information.
To emphasize the applied side of Analytical Chemistry.
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3. 7.1.1. Introduction to Block III (I)
Chapter 7: Analytical problem-solving
Introduction to Block III (I)
♣ The block is concerned with the socio–economic consequences of the results and knowledge obtained from analytical processes (Chapter 4), whether quantitative(Chapter 5) or qualitative (Chapter 6).
The topic dealt with in the last block of this book is the
SOCIO–ECONOMIC PROJECTION OF ANALYTICAL CHEMISTRY.
♣ It uses the third basic standard [(bio)chemical information requirements (see Slide 1.12)] to facilitate decision-making in the social and economic realms, and to assess to what extent such requirements are fulfilled.
♣ The three chapters in Block III are concerned with
♦ A practical analysis of analytical problem-solving, that is, of the fulfilment of information requirements (Chapter 7).
♦ The integral characterization of the socio–economic projection of Amalytical Chemistry in the form of a definition of analytical quality (Chapter 8).
♦ Social responsibility in Analytical Chemistry beyond analytical quality (Chapter 9).
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4. Chapter 7: Analytical problem-solving
Introduction to Block III (II)
CHAPTER 7
ANALYTICAL
PROBLEM-
SOLVING 3 1
BLOCK
III
CHAPTER 9
CHAPTER 8
SOCIAL
RESPONSI-
BILITY OF
ANALYTICAL
CHEMISTRY
ANALYTICAL
QUALITY 2
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5. 7.1.2. Introduction to the chapter (I)
Chapter 7: Analytical problem-solving
Introduction to the chapter (I)
ANALYTICAL CHEMIST
ANALYTICAL
CHEMISTRY
OBTAINING
(BIO)CHEMICAL
INFORMATION
PRACTICAL
PURPOSES
Chapter I
Block I
THEORETICAL
Knowledge
Scientific and techno-logical developments
Fulfilling
INFORMATION
REQUIREMENTS
ANALYTICAL
PROBLEM
Fitness for
purpose
Required information:
CLIENT
Chapter 7
Block III
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6. Chapter 7: Analytical problem-solving ANALYTICAL INFORMATION
Introduction to the chapter (II)
QUALITY OF
ANALYTICAL INFORMATION
FITNESS FOR PURPOSE
ACCURACY
REPRESENTATIVENESS
Chemical
metrology
7-6

7. 7.1.3. The concept of “problem” in Analytical Chemistry
Chapter 7: Analytical problem-solving
The concept of “problem” in Analytical Chemistry
ANALYTICAL
PROBLEM
PRACTICAL
THEORETICAL
APPLIED
SIDE
BASIC
SIDE
Delivering the chemical information required
R&D in
Analytical Chemistry 1 2 3
Socio–economic, scientific and technical problems
Improving the internal foundations of Analytical Chemistry
Incorporating advances from other scientific or technical areas
Chapter 7 Block III
7-7

8. Chapter 7: Analytical problem-solving
Integral definition of “analytical problem” (I)
ANALYTICAL
CHEMIST
CLIENT 1
Socio–
economic
problem
ANALYTICAL
PROBLEM
Analytical
process 2
Information
requirements
to be fulfilled
ANALYTICAL
PROBLEM
Analytical
properties 3
Analytical quality
ANALYTICAL
PROBLEM
External
quality
Quality of
results
Quality
of CMP
7-8

9. Chapter 7: Analytical problem-solving PRODUCTIVITY-RELATED
Integral definition of “analytical problem” (II)
PROBLEM 1
Conceptual
hierarchy
OBJECT
SAMPLE
ANALYTE
INTERNAL QUALITY
EXTERNAL
QUALITY
QUALITY OF
RESULTS
QUALITY OF CMP
CAPITAL
PROPERTIES
BASIC
PROPERTIES
PRODUCTIVITY-RELATED
PROPERTIES
REPORTS
RESULTS
PRIMARY DATA
TO ANALYSE
TO CHARACTERIZE
TO DETECT
TO SENSE 2
ANALYSER
INSTRUMENT
APPARATUS
DEVICE
Relationship
between
leading concepts
PROCESS
TECHNIQUE
METHOD
PROCEDURE
ANALYSIS
DETERMINATION
MEASUREMENT
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10. Chapter 7: Analytical problem-solving
Integral definition of “analytical problem” (III)
ANALYTICAL
PROBLEM
SOCIO–
ECONOMIC
PROBLEM
PLANNING 2
TRACEABILITY
SOLUTION
TRACEABILITY
SAMPLE
ALIQUOT
INTERNAL
REPRESENTATIVENESS
(orthodox) +
TRACING
(history of the sample
and aliquot) 3
TRACEABILITY
HIGHEST
REPRESENTATIVENESS
(fitness for purpose) +
TRACING
(history of the sample
and aliquot) 1
RESULTS
7-10

11. 7.1.4. Integral definition of “analytical problem” (IV)
Chapter 7: Analytical problem-solving
Integral definition of “analytical problem” (IV)
AN EXAMPLE OF “ANALYTICAL PROBLEM”
IN THE CONTEXT OF TRACEABILITY
R1. Content in
GOLD
1 µg/100 kg
mineral
R2.Content
LEAD
1 g/100 kg
Results
SUITABILITY
Socio–economic problem
Suitability of a pyrite mine
for obtaining GOLD
MINE
UNSUITABLE
PLANNING
SOLUTION
Analysis
ANALYTICAL
PROBLEM
Determination of the amount of
GOLD in samples from
a stack of mined pyrite
Portions of mined mineral
collected at different depths
in the stack: surface,
mean depths…
Sample
aliquot
Collection of
sample/aliquots
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12. 7.1.4. Integral definition of “analytical problem” (V)
Chapter 7: Analytical problem-solving
Integral definition of “analytical problem” (V) 2
TOP LEVEL IN AN
ANALYTICAL HIERARCHY
CONNECTED TO
THE TOP LEVELS IN
OTHER HIERARCHIES 1
INTERFACE BETWEEN
THE “CLIENT”
AND THE ANALYTICAL CHEMIST
ANALYTICAL
PROBLEM
CROSSING THE TRADITIONAL
“BOUNDARIES”
OF ANALYTICAL CHEMISTRY
TOP LEVEL OF
REPRESENTATIVENESS
OF THE RESULTS 4 3
7-12

13. 7.1.5. Elements of an analytical problem
Chapter 7: Analytical problem-solving
Elements of an analytical problem
ECONOMIC, SOCIAL, SCIENTIFIC
OR TECHNICAL PROBLEM
ANA
LYTICAL PROBLEM
Planning
OBJECT
Design
SAMPLE(S)
ANALYTICAL CHEMISTRY TODAY
Evaluation
MEASURAND(S)
CLASSICAL
ANALYTICAL
CHEMISTRY
Correction
ANALYTE(S)
INTANGIBLE
SIDE
TANGIBLE
SIDE
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14. 1 2 3 4 5 7.1.6. Steps of the analytical problem-solving process (I)
Chapter 7: Analytical problem-solving
Steps of the analytical problem-solving process (I) 1
IDENTIFYING AND CONFIRMING THE
ECONOMIC, SOCIAL, SCIENTIFIC AND
TECHNICAL INFORMATION REQUIRED 2
Analytical
problem
SPECIFYING THE ANALYTICAL
INFORMATION REQUIRED 3
PLANNING THE STRATEGY
YES
CHECK 4
END
MONITORING THE RESULTS NO 5
CORRECTIVE
ACTIONS
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15. 1 7.1.6. Steps of the analytical problem-solving process (II) 2 1
Chapter 7: Analytical problem-solving
Steps of the analytical problem-solving process (II) 1
IDENTIFYING AND CONFIRMING THE INFORMATION REQUIRED
Required information
CLIENT
DECISION-
MAKING
Characteristics of the
information required
SOCIO–ECONOMIC
PROBLEM
COMMUNICATION 2
What?
How?
When?
Where?
Why?
What…for? 1
Information producer
ANALYTICAL CHEMIST
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16. 2 7.1.6. Steps of the analytical problem-solving process (III) 2 1 3 4
Chapter 7: Analytical problem-solving
Steps of the analytical problem-solving process (III) 2
SPECIFYING THE ANALYTICAL INFORMATION REQUIRED
Socio–economic
information
ANALYTICAL
information
ANALYTICAL
CHEMIST
MEASURAND(S)
ANALYTE(S)
SAMPLE
SIZE 2
QUALITATIVE
QUANTITATIVE,
STRUCTURAL 1
TYPES OF ANALYSIS
SPECIFIC FEATURES
OF THE ANALYTICAL
INFORMATION REQUIRED
TEMPORAL,
STATIC AND/OR
SPATIAL 3 4
LEVELS OF
ANALYTICAL
PROPERTIES
GLOBAL
DISCRIMINATE
7-16

17. 3 7.1.6. Steps of the analytical problem-solving process (IV)
Chapter 7: Analytical problem-solving
Steps of the analytical problem-solving process (IV) 3
PLANNING THE ANALYTICAL STRATEGY (I)
PLANNING THE
ANALYTICAL STRATEGY
SELECTING THE METHOD
DESIGNING THE ANALYTICAL PROCESS
SAMPLE
How?
RESULTS
7-17

18. 3 7.1.6. Steps of the analytical problem-solving process (V) 1 2 4 3
Chapter 7: Analytical problem-solving
Steps of the analytical problem-solving process (V) 3
PLANNING THE ANALYTICAL STRATEGY (II) 1 2
TYPE OF
INFORMATION
GENÉRICA ANALÍTICA
CHARACTERISTICS
OF THE OBJECT/SAMPLE
AND ANALYTES
GENERAL ANALYTICAL
2nd step
1st step
2nd step
FACTORS INFLUENCING
SELECTION OF A CMP
AGREED OVERALL OR
PER ANALYSIS COST
MATERIAL AND HUMAN
RESOURCES AVAILABLE 4 3
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19. 4 7.1.6. Steps of the analytical problem-solving process (VI) 2 1
Chapter 7: Analytical problem-solving
Steps of the analytical problem-solving process (VI) 4
MONITORING THE RESULTS 2 1
ANALYTICAL
PROPERTIES
VALIDATING
THE RESULTS
INFORMATION
REQUIRED
BY THE CLIENT
INTERNAL
(ANALYTICAL)
QUALITY
EXTERNAL
(REQUIRED)
QUALITY
Convergence
ERROR CORRECTION
PROBLEM
SOLVED
7-19

20. 5 4bis 7.1.6. Steps of the analytical problem-solving process (VII)
Chapter 7: Analytical problem-solving
Steps of the analytical problem-solving process (VII) 5
APPLYING CORRECTIVE ACTIONS
CORRECTING
ERRORS
INVALID RESULTS
AND INFORMATION
MINOR
(standards, parameters,
instruments)
Changes
CHECKING
THE ANALYTICAL
STRATEGY
Changes
PARTIAL
(equipment
calibration)
Changes
VALIDATING
THE RESULTS
4bis
OVERALL
(method)
7-20

21. 1 2 7.1.6. Steps of the analytical problem-solving process (VIII)
Chapter 7: Analytical problem-solving
Steps of the analytical problem-solving process (VIII)
EXAMPLE: SOLVING A SPECIFIC ANALYTICAL PROBLEM (I)
SOCIO–ECONOMIC PROBLEM:
Rejecting (action) orange ice creams (what?) if they contain colorant E-127
(erythrosine) because it may cause thyroid disorders (why?). 1
IDENTIFYING THE INFORMATION REQUIRED:
Amount of eythrosine in orange ice creams from different manufacturers.
Highest allowed additive concentration: 1 ppm.
Best before date of the ice creams: 2 weeks. 2
SPECIFYING THE INFORMATION:
A qualitative and quantitative study of orange ice cream samples from different manufacturers (is there any erythrosine?, how much?).
Highest limit of quantitation: 1 ppm.
Expeditiousness needed.
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22. 3 4 5 7.1.6. Steps of the analytical problem-solving process (IX)
Chapter 7: Analytical problem-solving
Steps of the analytical problem-solving process (IX)
EXAMPLE: SOLVING A SPECIFIC ANALYTICAL PROBLEM (II) 3
PLANNING THE STRATEGY:
1) I f a liquid chromatograph is available: liquid–liquid extraction and chromatography.
2) If only a photometer is available:
Preliminary operations (to remove interferents) and photometry. 4
MONITORING THE RESULTS:
1) The limits of detection and quantitation are both acceptable (CLOD < 1 ppm, CLOQ < 1 ppm).
2) The limit of detection is acceptable (CLOD < 1 ppm), but the limit of quantitation is not (CLOQ > 1 ppm). 5
CORRECTIVE ACTIONS:
2) Preconcentration is added to the preliminary operations in order to obtain an acceptable limit of quantitation (CLOQ < 1 ppm).
PROBLEM
SOLVED
7-22

23. 7.1.7. Concluding remarks (I)
Chapter 7: Analytical problem-solving
Concluding remarks (I)
CONSISTENCY BETWEEN REQUIRED
INFORMATION AND DELIVERED INFORMATION A
IDEAL situation =
ANALYTICAL
CHEMIST B
CLIENT ≠
ANALYTICAL
INFORMATION
DELIVERED
ANALYTICAL
INFORMATION
REQUIRED C
< D
>
DIVERGENT situations
7-23

24. = 7.1.7. Concluding remarks (II) EXAMPLE A
Chapter 7: Analytical problem-solving
Concluding remarks (II)
EXAMPLE A
DELIVERED INFORMATION = REQUIRED INFORMATION
ANALYTICAL CHEMIST
CLIENT
DELIVERED
INFORMATION
REQUIRED
INFORMATION
- 200 yoghourt samples
- Total fat
(4.00 ± 0.01) g
in 125 g of yoghourt =
Total fat content
of 125 g fruit yoghourts
in a batch
7-24

25. ≠ 7.1.7. Concluding remarks (III) EXAMPLE B
Chapter 7: Analytical problem-solving
Concluding remarks (III)
EXAMPLE B
DELIVERED INFORMATION ≠ REQUIRED INFORMATION
ANALYTICAL CHEMIST
CLIENT
DELIVERED
INFORMATION
REQUIRED
INFORMATION
- 200 yoghourt samples
- Total sugar content
(5.50 ± 0.01) g
in 125 g of yoghourt ≠
Total fat
content of 125 g
fruit yoghourts
in a batch
7-25

26. < 7.1.7. Concluding remarks (IV) EXAMPLE C
Chapter 7: Analytical problem-solving
Concluding remarks (IV)
EXAMPLE C
DELIVERED INFORMATION < REQUIRED INFORMATION
CLIENT
ANALYTICAL CHEMIST
REQUIRED
INFORMATION
DELIVERED
INFORMATION
Contents in
- saturated
- monounsaturated
- polyunsaturated
fat
of 125 g fruit yoghourts
in a batch
- 200 yoghourt samples
- Content in saturated
fat (2.70 ± 0.01) g
in 125 g of yoghourt
<
7-26

27. > 7.1.7. Concluding remarks (V) EXAMPLE D
Chapter 7: Analytical problem-solving
Concluding remarks (V)
EXAMPLE D
DELIVERED INFORMATION > REQUIRED INFORMATION
ANALYTICAL CHEMIST
CLIENT
DELIVERED
INFORMATION
REQUIRED
INFORMATION
- 200 samples
- Advanced technology
- Fat:
→ Saturated (2.70 ± 0.01) g
→ Monounsaturated (0.60 ± 0.01) g
→ Polyunsaturated (0.70 ± 0.01) g
>
Total fat content of
125 g fruit yoghourts
in a batch
Total (4.00 ± 0.01) g
in 125 g of yoghourt
7-27

28. 1 3 3 2 7.1.7. Concluding remarks (VI) A B QUALITY ANALYTICAL QUALITY
Chapter 7: Analytical problem-solving
Concluding remarks (VI)
ANALYTICAL PROBLEM AND QUALITY
QUALITY 1
BASIC
APPLIED
BODY OF
INDICATORS
CLIENT
SATISFACTION 3 3 A B
ANALYTICAL
PROPERTIES
ANALYTICAL
PROBLEM-SOLVING
BASIC
APPLIED 2
ANALYTICAL
QUALITY
7-28