Green Chemistry

View Article Online

PAPER View Journal | View Issue

Blue applicability grade index (BAGI) and software:

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

a new tool for the evaluation of method

Open Access Article. Published on 22 August 2023. Downloaded on 6/12/2025 9:31:19 AM.

Cite this: Green Chem., 2023, 25,

7598 practicality
Natalia Manousi, a Wojciech Wojnowski, b,c
Justyna Płotka-Wasylkac,d and
Victoria Samanidou *a

In this work, blue applicability grade index (BAGI) is proposed as a new metric tool for evaluating the prac-
ticality of an analytical method. BAGI can be considered complementary to the well-established green
metrics, and it is mainly focused on the practical aspects of White Analytical Chemistry. This tool evaluates
ten main attributes including the type of analysis, the number of analytes that are simultaneously deter-
mined, the number of samples that can be analyzed per hour, the type of reagents and materials used in
the analytical method, the required instrumentation, the number of samples that can be simultaneously
treated, the requirement for preconcentration, the automation degree, the type of sample preparation,
and the amount of sample. Through the evaluation of these attributes, an asteroid pictogram is generated,
together with the respective score. To facilitate the use of the metric a simple, open-source application
was created (mostwiedzy.pl/bagi). It is accompanied by a web application available at bagi-index.anvil.app.
The functionality of the tool was demonstrated by evaluating the applicability of five different analytical
Received 30th June 2023, methods as case studies. All things considered, BAGI can be easily used to identify the weak and strong
Accepted 21st August 2023
points of a method in terms of practicality and applicability, as well as to compare the performance of
DOI: 10.1039/d3gc02347h different analytical methods. We believe that BAGI metric tool will gain not only attention but also trust
rsc.li/greenchem and acceptance from the chemical community.

1. Introduction principles of Green Sample Preparation (GSP) were proposed

aiming to chart the path towards the development of greener
Green chemistry was originally proposed in the 1990s by Paul sample preparation methods, to minimize the environmental
Anastas and John Warner as a way in which the skills, knowl- impact of this step and to enhance sample throughput.3 Thus,
edge, and talents of chemists can be combined to avoid today compliance with green chemistry, GAC,2 and GSP3 prin-
threats to human health and the environment in all types of ciples has become a necessity in the development of analytical
chemical processes.1 Green Analytical Chemistry (GAC)2 is a methods to reassure sustainability requirements. More
concept that emerged from green chemistry in 2000 and it con- recently, the Unified Greenness Theory was presented that
cerns the role of analytical chemists in making laboratory prac- merged the principles of green chemistry, GAC, and other sets
tices more environmentally friendly. GAC considers different of principles and introduced a novel set of hierarchal and uni-
aspects of an analytical method including the safety of sol- versal statements.4
vents/reagents, the generation of toxic laboratory wastes, the Several green metric tools have been proposed and already
safety of the analysts, and the energy demands, aiming to rede- implemented in recent publications to evaluate the green per-
fine and reevaluate the analytical methods. Moreover, the ten formance of an analytical method and its subsequent impact
on the environment. These tools include the National
Environmental Method Index (NEMI),5 analytical eco-scale,6
a
Laboratory of Analytical Chemistry, School of Chemistry, Aristotle University of green analytical procedure index (GAPI),7 analytical greenness
Thessaloniki, GR 54124 Thessaloniki, Greece. E-mail: [email protected] calculator (AGREE),8 complementary green analytical pro-
b
Department of Chemistry, University of Oslo, P.O. Box 1033-Blindern, 0315 Oslo, cedure index (ComplexGAPI),9 and analytical greenness metric
Norway for sample preparation (AGREEprep).10 Each of the above-men-
c
Department of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of
tioned tools has certain advantages and disadvantages; thus,
Technology, 11/12 G. Narutowicza Street, 80-233 Gdańsk, Poland
d
BioTechMed Center, Gdańsk University of Technology, 11/12 G. Narutowicza Street, some of them have prevailed since they provide a more quanti-
80-233 Gdańsk, Poland tative description of the green character of the method.

7598 | Green Chem., 2023, 25, 7598–7604 This journal is © The Royal Society of Chemistry 2023
 View Article Online

Green Chemistry Paper

However, none of these tools considers the practicality of Attributes 1–3 correspond to the step of the analytical deter-
the method, which is a very important parameter that is mination, attributes 4 and 5 correspond to the sample prepa-
encountered by all routine analysis laboratories. This para- ration step, while attributes 6–10 correspond to both steps.
meter has been already included in the concept of White The selection of the main attributes and their respective levels
Analytical Chemistry (WAC) that was introduced in 2021 by was based on a consideration of a wide range of different
Nowak et al.11 WAC serves as an extension and complement to analytical methods that were reported in the literature. To
green analytical chemistry and combines the ecological, ensure the simplicity of the performance, four discrete scores
analytical, and practical perspectives of an analytical method of equal weights are used in the assessment. Each score corres-
according to the red-green-blue (RGB) model.12 The red colour ponds to a different hue (for the qualitative evaluation of the
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

of WAC is related to the analytical efficiency as described by method’s applicability) and contributes to the final, overall
Open Access Article. Published on 22 August 2023. Downloaded on 6/12/2025 9:31:19 AM.

the method’s validation criteria (accuracy, precision, sensi- score (for the quantitative evaluation of the method’s applica-
tivity, and others), while blue represents the productivity and bility). In this sense, 10, 7.5, 5.0, and 2.5 points correspond to
practical/economic efficiency of the method. The four attri- dark blue (#0c305b), blue (#3a89c1), light blue (#adcffd), and
butes of the ‘blue’ category correspond to cost-efficiency, time- white (#FFFFFF), respectively. The BAGI tool also takes into
efficiency, requirements, and operational simplicity. consideration the field of application to adjust the bias and
In this article, we introduce a simple and fast metric tool treat all methods at realistic ranges. For example, it dis-
for the evaluation of the practicality of any analytical method tinguishes the differences between bioanalytical methods that
(e.g., conventional, state-of-the-art, newly developed, etc.). As can be applied to low sample amounts requiring low reagents
such, the blue applicability grade index (BAGI) is developed amounts and food or environmental samples, where the
and proposed herein. The blue colour is inspired by the RGB sample amount can be easily increased to achieve the criteria
model, and the proposed index may be considered a comp- required by legislation and the necessary sensitivity.
lementary concept to the existing green metrics tools. To facili-
tate its use open-source desktop and web applications were 2.1 Description of attributes
developed, and their functionality was demonstrated based on 2.1.1 Type of analysis. The type of analysis is classified
various analytical methods. The target audience of this new into the following categories: qualitative (white), screening
tool includes but is not restricted to analytical method develo- (light blue), quantitative (blue), and quantitative and confirma-
pers and users from academia, industry and routine analysis tory (dark blue). According to the European Commission
laboratories. BAGI tool has many advantages with the most Decision 657/2002/EC,13 a confirmatory method can provide
important being complementary to the existing green assess- full or complementary information enabling the substance to
ment tools such as complexGAPI and AGREEprep. In addition, be unequivocally identified and if necessary quantified at the
it is in line with the principles of environmental sustainability. level of interest by providing information regarding the chemi-
We believe that the BAGI metric tool will gain not only atten- cal structure of the analyte. Thus, quantitative and confirma-
tion but also trust and acceptance from the chemical tory methods get the highest score (i.e., 10 points), while only
community. quantitative methods that can determine the amount or mass
fraction of a substance so that it may be expressed as a
numerical value of appropriate units with simple detection
2. Characteristics of the BAGI techniques, get 7.5 points. Screening methods that are used
attributes for the detection of the presence of a substance or class of sub-
stances at the level of interest and are specifically designed to
To evaluate the applicability of an analytical method, the BAGI avoid false compliant results get 5 points, while simple quali-
metric tool takes into consideration the following main tative methods that are used to identify a substance based on
attributes: its chemical, biological, or physical properties get 2.5 points.
1. The type of analysis. 2.1.2 Number of analytes that are simultaneously deter-
2. The number of analytes that are simultaneously mined. According to the 12 principles of GAC,2 multi-analyte
determined. methods are preferred over methods that are used for the
3. The analytical technique and required analytical determination of one analyte at a time. In the BAGI metric
instrumentation. tool, a multi-element analysis targeting more than 15 analytes
4. The number of samples that can be simultaneously at a time gets the highest score of 10 points, while a single-
treated. element analysis gets the lowest score of 2.5 points. For multi-
5. The sample preparation. element methods that are used for the determination of 6–15
6. The number of samples that can be analyzed per hour. analytes of the same chemical class or 2–15 analytes of
7. The type of reagents and materials used in the analytical different chemical class 7.5 points are attained, while 5 points
method. are attained for a method that leads to the multi-element ana-
8. The requirement for preconcentration lysis for 2–5 compounds of the same chemical class.
9. The automation degree. 2.1.3 Analytical technique-instrumentation. The analytical
10. The amount of sample. technique and the relevant instrumentation that is required

This journal is © The Royal Society of Chemistry 2023 Green Chem., 2023, 25, 7598–7604 | 7599
 View Article Online

Paper Green Chemistry

also play a crucial role in the selection of an analytical by packed sorbents, stir bar sorptive extraction, fabric phase
method. When simple in operation, portable instrumentation sorptive extraction) gets 5 points. A score of 2.5 points is
(e.g., smartphone-based detectors, portable gas chromato- assigned to the method when conventional sample prepa-
graphs, etc.) is used, the method gets 10 points. The score of ration is required in one or more steps (e.g. liquid–liquid
7.5 is reached by a method that uses simple instrumentation extraction, solid-phase extraction, matrix solid-phase dis-
available in most labs (e.g., ultraviolet spectrometry, high-per- persion and/or derivatization).
formance liquid chromatography-ultraviolet detection, high- 2.1.6 Number of samples that can be analysed per hour.
performance liquid chromatography-diode array detection, An analytical method that is characterized by high sample
ultra-high performance liquid chromatography, flame atomic throughput is highly desired in routine analysis laboratories. A
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

absorption spectrometry, electrothermal atomic absorption method with which more than 10 samples can be analysed per
Open Access Article. Published on 22 August 2023. Downloaded on 6/12/2025 9:31:19 AM.

spectrometry, inductively coupled plasma-optical emission hour (including all the steps from sample pre-treatment to the
spectrometry, gas chromatography-flame ionization detection final step of the determination) gets 10 points. For analytical
etc.). If sophisticated instrumentation (e.g., liquid chromato- methods that can be implemented for the analysis of 5–10
graphy-mass spectrometry, gas chromatography-mass spec- samples 7.5 points are added, while when the throughput of
trometry, inductively coupled plasma-mass spectrometry, 2–4 samples per hour results in 5 points. In case at least one
homemade interfaces, homemade automatic systems etc.) is hour or more is needed for a single sample to be prepared and
required, then 5 points are attained. Finally, in the case of analyzed a score of 2.5 points is attained.
instrumentation that is not commonly available in most lab- 2.1.7 Type of reagents and materials. The availability and
oratories (e.g., supercritical fluid chromatography, two-dimen- cost of the reagents and materials that are required is an important
sional gas and liquid chromatography, liquid chromatography- aspect that affects the selection of an analytical method by a lab-
tandem mass spectrometry, gas chromatography-tandem mass oratory. In BAGI, the indirect approach of the implementation of
spectrometry etc.) the method attains 2.5 points. cost analysis which is reflected on different attributes of this tool
2.1.4 Number of samples that can be simultaneously (e.g., instrumentation, sample preparation, reagents etc.) was
treated. Undoubtedly, sample preparation is considered the adopted to ensure the practicality of the blue assessment since the
bottleneck of the analytical procedure, however, it is also the accurate of the cost is a complicated and disputable. It is well
cornerstone of an efficient analytical method. Moreover, it is known that the cost of common commercially available reagents
the most tedious and laborious step that accounts for a signifi- can vary significantly among different classes of chemicals,
cant part of the total time that is required for the determi- however, the practicality of being able to use a commercial reagent
nation of the target analyte(s). In this frame, various formats without having to synthesize it in the lab is undeniable. This is
have been developed to enable the simultaneous sample very important for accredited laboratories that are only able to use
preparation of an increased number of samples leading to commercially available reagents and standard methods.
high-throughput methods. Since well plate formats are cur- Taking all into consideration, the analytical method gets 10
rently commercially available, making the sample pretreat- points in cases where common commercially available
ment simpler, faster, and safer for the analytical scientist,14 10 reagents (e.g. methanol, acetonitrile, HNO3, nitrogen or other
points are assigned to a method that enables the simultaneous common gases), are used. When commercially available
sample preparation of more than 95 samples (e.g., 96-well reagents are required that are non-common in quality control
plates). Such a method is considered the most practical and laboratories (e.g., derivatization reagents, solid-phase extrac-
thus it gets the highest score. In the case of single sample prepa- tion cartridges, solid-phase microextraction fibres), a score of
ration, only 2.5 points are reached. For the simultaneous 7.5 is attained. However, in cases where reagents are needed to
sample preparation of 2–12 samples (e.g., using the 12 ports of be synthesized in the laboratory, a score of 5 or 2.5 points is
conventional solid-phase extraction manifolds), 5 points are added to the total, considering whether this can be performed
assigned to the method, while 7.5 points are assigned in the in a simple way using common laboratory equipment or
case of the simultaneous sample preparation of 13–95 samples. involves the use of advanced equipment/know-how (e.g.,
2.1.5 The sample preparation scale. The sample prepa- specially designed metal–organic frameworks), respectively.
ration scale is another significant aspect of the analytical 2.1.8 Requirement for preconcentration. Conforming with
method since it clearly affects the reagents consumption and the concept of fit-for-purpose is essential for a method to be
waste generation. Apart from the impact of these two aspects practical. When no pre-concentration is needed in order to
on the environment, they can also affect the selection of a meet the required sensitivity and/or the legislation criteria, a
method by a routine analysis laboratory since they are closely score of 10 points is assigned to the method. In cases where
related to the cost of the method. If on-site sample preparation preconcentration is required, 7.5 points are assigned if the
can be performed or if no sample preparation is required, 10 desired sensitivity is met with one step (e.g., simultaneous
points are added to the total score. When simple, low-cost sample preparation and preconcentration by choosing appro-
sample preparation is required (e.g., protein precipitation) the priate initial and final sample volumes during extraction).
method gets 7.5 points, while a miniaturized extraction Finally, if the legislation criteria are met after the combination
sample preparation technique (e.g., solid-phase microextrac- of different stages of preconcentration (e.g., extraction, evapor-
tion, dispersive liquid–liquid microextraction, microextraction ation, reconstitution), 2.5 points are assigned.

7600 | Green Chem., 2023, 25, 7598–7604 This journal is © The Royal Society of Chemistry 2023
 View Article Online

Green Chemistry Paper

2.1.9 The automation degree. The automation of an 60 points. This score is recommendable, but not determinant.
analytical procedure is also an important feature based on the The ten parts of the asteroid pictogram are related to the
requirements of GAC2 and GSP.3 In the context of applicability, different performance criteria, and they are considered of
automated methods are highly desired to minimize human equal importance. The attributes 1–5 that correspond either to
intervention resulting in potential errors, while also reducing the step of the analytical determination or to the step of the
the exposure of the analyst to hazardous chemicals. Fully auto- sample preparation are in the inner part of the pictogram,
mated methods (with novel technologies, advanced devices, while the attributes 6–10 that correspond to both steps are in
etc.) get 10 points, semi-automated methods with common the outer part. The central field containing the score is
devices (e.g., HPLC autosampler) get 7.5 points, and semi-auto- assigned a hue based on the value of the total score by
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

mated methods that require the special design of novel sampling from the whole range of the matplotlib ‘blues’
Open Access Article. Published on 22 August 2023. Downloaded on 6/12/2025 9:31:19 AM.

systems (e.g., homemade) get 5 points. Manual treatment and sequential colourmap15 mapped to the 25–100 scale. The dis-
analysis get only 2.5 points as the worst-case scenario. crete hues for the individual fields of the pictogram were
2.1.10 The amount of sample. The amount of sample can sampled from the same colour map. This allowed to obtain a
directly affect the sensitivity of the analytical method, as well perceptually uniform mapping of hues to values that is colour-
as the waste generation. The sample availability clearly blind-safe and legible when reproduced in grayscale.16 This is
depends on the type of the sample. In general, low sample akin to the approach used in the AGREE and AGREEprep
quantities are available for bioanalytical samples, while for tools.8,10
food and environmental samples, higher volumes can be Using the overall BAGI pictogram it is easy to find the weak
easily utilized. As such, 10 points are attained for sample and strong points of an analytical method by evaluating its
volumes below 100 μL or 100 mg for bioanalytical samples, or applicability in terms of practicality to further improve them
below 10 mL or 10 g for food or environmental samples. When and to compare the performance of different methods.
the required amount is 101–500 μL for bioanalytical samples
or 10.1–50 g for food/environmental samples, the score is 7.5
points, while 5 points are added to the total score in cases 3. Application of BAGI to selected
where a method requires 501–1000 μL for bioanalytical methods
samples or 51–100 g for food/environmental samples. Just 2.5
points are added to the score for a method that uses more In this section, the utilization of the BAGI index web app is
than 1000 μL of bioanalytical samples or more than 100 g of demonstrated. For this purpose, the new tool was used to
food/environmental samples. It must be noted that in case of evaluate the applicability of five different analytical methods
samples that do not directly fall into the above-mentioned cat- dealing with the determination of antidepressants in post-
egories (e.g., cosmetic products, plastic leachates) their size mortem whole blood and cerebrospinal liquor,17 bisphenol A
availability must be considered, and they can be categorized (BPA) in food contact materials’ leachates,18 androgens and
either as low quantity (similar to the bioanalytical matrices) or progestogens in environmental water samples,19 ibuprofen in
as normal quantity (similar to food/environmental matrices) milk-containing simulated gastrointestinal media,20 and
samples. quinine in soft drinks.21 The BAGI index pictograms for these
The attributes along with their respective hues and score methods are depicted in Fig. 1.
points are summarized in Table 1. It should be noted that In the first case study, a fabric phase sorptive (FPSE) extrac-
when clear score cannot be given or the researcher are on the tion method combined with high-performance liquid chrom-
verge of two options, they have to choose the one that is closer atography-diode array detection (HPLC-DAD) was used for the
to the available scores, based on their expertise. quantification of seven different antidepressant drugs in
human whole blood, plasma, and urine.17 The information of
2.2 Explanation of the obtained results the analysis was both quantitative and confirmatory due to the
Two different types of results can be obtained using the BAGI employment of the DAD detector that was set in the range of
metric tool which are correlated to the obtained pictogram 200–400 nm. The determination enabled the quantification of
and the obtained score. The overall assessment result is an seven compounds belonging to three different classes (i.e., ser-
asteroid pictogram with the number in its centre. The hue otonin and norepinephrine reuptake inhibitor; selective sero-
scale of the pictogram shows the compliance of the method tonin reuptake inhibitors and tricyclic antidepressants). Since
with the set criteria (i.e., dark blue for high compliance, blue the FPSE membranes are not commercially available, they
for medium compliance, light blue for low compliance, and need to be synthesized in the lab in a relatively simple and
white for no compliance). The number in the inner part of the straightforward way using simple equipment. Regarding the
BAGI pictogram reveals the assigned overall score of the instrumentation, simple equipment available in most labs was
analytical method and it ranges between 25–100. The worst employed. The simultaneous sample preparation of almost 20
method performance in terms of applicability is assigned to a samples was assumed, which can be easily performed using
score value of 25, while a score value of 100 reveals the excel- two magnetic stirrers. Following the simultaneous sample
lent performance of the method. In order to be considered preparation of the 20 samples that requires a time span of
practical”, it is recommended that the method attains at least around 40 min, the total analysis time by HPLC-DAD is

This journal is © The Royal Society of Chemistry 2023 Green Chem., 2023, 25, 7598–7604 | 7601
 View Article Online

Paper Green Chemistry

Table 1 Main attributes, corresponding hues, and score points of the BAGI index

Criterion Attribute Dark blue (10 points) Blue (7.5 points) Light blue (5 points) White (2.5 points)

1 Type of analysis Quantitative and Quantitative Screening Qualitative

confirmatory
2 Multi- or single- Multi-element analysis Multi-element analysis for Multi-element analysis Single element
element analysis for >15 compounds 6–15 compounds of the for 2–5 compounds of
same chemical class or the same chemical class
2–15 compounds of
different chemical classes
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

3 Analytical Simple in operation Simple instrumentation Sophisticated Instrumentation that is

techniquea portable available in most labs instrumentation (e.g., not commonly available in
Open Access Article. Published on 22 August 2023. Downloaded on 6/12/2025 9:31:19 AM.

instrumentation (e.g., (e.g., UV, HPLC-UV, LC-MS, GC-MS, ICP-MS, most labs (e.g., SFC,
smart-phone based HPLC-DAD, UHPLC, homemade interfaces, 2D-GC, 2D-LC, LC-MS/MS,
detectors, portable GC) FAAS, ETAAS, ICP-OES, homemade automatic GC-MS/MS)
GC-FID) systems)
4 Simultaneous >95 13–95 2–12 1
sample preparation
5 Sample Not required or on-site Simple low-cost sample Miniaturized extraction Multi-step sample
preparationb sample preparation if preparation is required sample preparation (e.g., preparation is required
required (protein precipitation etc.) SPME, DLLME, MEPS, (e.g., LLE, SPE and/or
SBSE, d-SPE, FPSE) derivatization)
6 Samples per h >10 5–10 2–4 ≤1
(sample
preparation +
analysis time)
7 Reagents and Common commercially Commercially available Need to be synthesized Need to be synthesized in
materials available reagents reagents that are non- in the lab with common the lab with advanced
(methanol, acetonitrile, common in QC labs (e.g., instrumentation and in equipment or know-how
HNO3, nitrogen or other derivatization reagents, a simple way. (e.g., specially designed
common gases etc.). SPE cartridges, SPME metal–organic
fibres) frameworks, modified
nanomaterials).
8 Preconcentration No preconcentration is Preconcentration is — Preconcentration is
required. Required required. Required required. Legislation
sensitivity and/or sensitivity is met with criteria are met after
legislation criteria are one-step complicated stages (e.g.,
directly met. preconcentration. extraction, evaporation,
and reconstitution).
9 Automation degree Fully automated with Semi-automated with Semi-automated with Manual treatment and
novel technology common devices (HPLC non-common devices analysis.
advanced devices (e.g., autosampler, etc.) (homemade systems,
robotics, lab-in-syringe) etc.)
10 Amount of sample ≤100 μL (or mg) 101–500 μL (or mg) 501–1000 μL (or mg) >1000 μL (or mg)
bioanalytical samples bioanalytical samples bioanalytical samples bioanalytical samples
≤10 mL (or g) food/ 10.1–50 mL (or g) food/ 51–100 mL (or g) food/ >100 mL (or g) food/
environmental/other. environmental. environmental. environmental.
a
GC: gas chromatography, UV: ultraviolet spectrometry, HPLC-UV: high-performance liquid chromatography-ultraviolet detection, HPLC-DAD:
high-performance liquid chromatography-diode array detection, UHPLC: ultra-high performance liquid chromatography, FAAS: flame atomic
absorption spectrometry, ETAAS: electrothermal atomic absorption spectrometry, ICP-OES: inductively coupled plasma-optical emission spec-
trometry, GC-FID: gas chromatography-flame ionization detection, LC-MS: liquid chromatography-mass spectrometry, GC-MS: gas chromato-
graphy-mass spectrometry, ICP-MS: inductively coupled plasma-mass spectrometry, SFC: supercritical fluid chromatography, 2D-LC: two-dimen-
sional liquid chromatography, 2D-GC: two-dimensional gas chromatography, LC-MS/MS: liquid chromatography-tandem mass spectrometry,
GC-MS/MS: gas chromatography-tandem mass spectrometry. b SPME: solid phase microextraction, DLLME: dispersive liquid–liquid extraction,
MEPS: microextraction by packed sorbents, SBSE: stir bar sorptive extraction, d-SPE: dispersive solid-phase extraction, FPSE: fabric phase sorp-
tive, LLE: liquid–liquid extraction, SPE: solid-phase extraction.

20 min, resulting in a sample throughput of 2.7 h−1. As the method and the whole protocol shows good applicability
demonstrated by the results, no preconcentration was needed potential.
and the required sensitivity was directly achieved. Manual In the second case study, an automatic lab-in-syringe sol–
treatment and analysis were performed, which can be con- gel coated foam microextraction platform was used for moni-
sidered a drawback of the method, and it can be further toring BPA in food contact materials’ leachates during
improved by automating some steps of the analytical pro- migration studies.18 The separation and determination of the
cedure. As for the sample preparation, miniaturized extraction target analyte were conducted using high-performance liquid
was employed and the sample volume for the bioanalytical chromatography-ultraviolet detection (HPLC-UV), resulting in
matrix was 500 μL. Thus, a BAGI score of 67.5 is attained for quantitative analysis. Using this approach, a single element

7602 | Green Chem., 2023, 25, 7598–7604 This journal is © The Royal Society of Chemistry 2023
 View Article Online

Green Chemistry Paper

In the fourth case study, the BAGI index was employed for
the evaluation of an ultra-performance liquid chromatography-
diode array detection (UPLC-DAD) analytical method for the
determination of ibuprofen in milk-containing simulated gas-
trointestinal media.20 The rapid protein precipitation scheme
and the analysis (2.5 min) resulted in a sample throughput of
more than 10 h−1. Common, commercially available reagents
were used, while instrumentation currently available in most
labs was required. Simultaneous sample preparation of
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

approx. 40 samples was assumed. No pre-concentration was

Open Access Article. Published on 22 August 2023. Downloaded on 6/12/2025 9:31:19 AM.

required, manual treatment took place, an autosampler was

used resulting in semi-automation, simple and low-cost
Fig. 1 BAGI index pictograms for five different analytical methods for
the (a) determination of antidepressants in post-mortem whole blood sample preparation was chosen, and a sample volume of
and cerebrospinal liquor,17 (b) bisphenol A (BPA) in food contact 200 μL was used. The BAGI score of 80 that was assigned to
materials’ leachates,18 (c) androgens and progestogens in environmental the method demonstrates its good applicability.
water samples,19 (d) ibuprofen in milk-containing simulated gastrointes- In the fifth case study, the applicability of an equipment-
tinal media,20 and (e) quinine in soft drinks.21
free paper-based fluorometric method for the determination of
quinine in soft drinks was examined.21 The method was used
could be determined, which can be considered as a drawback of for the quantification of a single analyte with only common,
the method that can be potentially expanded to include other commercially available reagents and simple in operation
bisphenols. The sample throughput (sample preparation and instrumentation. The sample throughput of the method was
analysis) was 5 h−1. The foam microextraction media were not higher than 10 h−1, while a simultaneous sample preparation
commercially available, and their synthesis in the lab was of around 50 samples was assumed. No preconcentration was
required. Like the FPSE membranes, this can be performed in a required to achieve the required sensitivity, as well as minimal
relatively simple way using common reagents. The HPLC-UV sample preparation (i.e., dilution of the sample). An aliquot of
system that is required belongs to the category of simple equip- only 1 μL of the sample was required for the analysis, and the
ment which is available in most labs. Using the lab-in-syringe whole operation was performed in manual mode. Thus, a
system, one sample can be treated at a time. The legislation cri- BAGI score of 80 was assigned to the method demonstrating
teria for the migration studies were achieved after the one-step its superiority in terms of practicality and applicability .
extraction and preconcentration. The whole procedure was fully
automatic, and it required the miniaturized extraction of BPA
from 10 mL of sample solution. The assigned BAGI score for the 4. Conclusions
developed method was 65, demonstrating its applicability.
In the third case study, the metal–organic framework In this work, a novel index that can efficiently assess the practi-
UiO-66(Zr) was used as a sorbent for the porous membrane- cality and applicability of an analytical method is proposed.
protected micro-solid-phase extraction of androgens and pro- BAGI is complementary to the green assessment tools (e.g.,
gestogens from environmental water samples prior to their GAPI, ComplexGAPI, AGREE, AGREEprep) and it revolves
determination by liquid-chromatography tandem mass spec- around the “blue” principles of white analytical chemistry,
trometry (LC-MS/MS).19 Using this technique, both quantitat- which are mainly related to practical aspects. BAGI considers
ive and confirmatory data can be obtained. As target analytes, ten criteria to produce a pictogram and a score that depicts the
four compounds belonging to more than one different class applicability and functionality of an analytical method. A
were included. Regarding MOF synthesis, advanced know-how sequential blue colour scale was used to represent the final
and/or instrumentation are typically required for their prepa- score, with discrete hues of dark blue, blue, light blue, and
ration in the lab. Simultaneous sample preparation of around white used to demonstrate high, medium, low, and no compli-
10 samples was assumed for the micro-solid-phase extraction ance of the method with the set criteria, respectively.
procedure that required around 90 min. Since a time span of Regarding the obtained total score, it is recommended to be
2.5 min was required for the LC-MS/MS analysis, the sample higher than 60, so that the analytical method can be con-
throughput (sample preparation and analysis) was between sidered “practical”. The proposed index was used to evaluate
5–10 h−1. Preconcentration was required after complicated the applicability in five different analytical methods. The
stages including extraction, evaporation, and reconstitution. assessment of the applicability of the analytical method is
The LC-MS/MS systems are not commonly available in most facilitated by using a desktop application (mostwiedzy.pl/bagi)
labs. Finally, manual systems were used for the sample prepa- or a corresponding web application (bagi-index.anvil.app) and
ration and analysis, miniaturized extraction was proposed for enables the comparison of different analytical methods at a
sample preparation and 20 mL of water sample was required. first glance. The biggest advantage of BAGI is the simplicity
The method had a BAGI score of 57.5, demonstrating that and ease of application, which was achieved by preparing an
improvements are required to make it practical in laboratories. interesting web application that allows to quickly evaluate the

This journal is © The Royal Society of Chemistry 2023 Green Chem., 2023, 25, 7598–7604 | 7603
 View Article Online

Paper Green Chemistry

method and copy a colourful pictogram presenting the results 5 L. H. Keith, L. U. Gron, J. L. Young, C. Safety, C. Way,
of the evaluation. We believe that the BAGI tool will gain atten- H. College and W. Avenue, Chem. Rev., 2007, 107, 2695–
tion and acceptance from the chemical community. 2708.
6 A. Gałuszka, Z. M. Migaszewski, P. Konieczka and
J. Namieśnik, TrAC, Trends Anal. Chem., 2012, 37, 61–72.
Author contributions 7 J. Płotka-Wasylka, Talanta, 2018, 181, 204–209.
8 F. Pena-Pereira, W. Wojnowski and M. Tobiszewski, Anal.
N. Manousi: data curation, formal analysis, methodology, Chem., 2020, 92, 10076–10082.
writing – original draft, W. Wojnowski: software, visualization, 9 J. Płotka-Wasylka and W. Wojnowski, Green Chem., 2021,
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

writing – review & editing, J. Płotka-Wasylka: methodology, 23, 8657–8665.

Open Access Article. Published on 22 August 2023. Downloaded on 6/12/2025 9:31:19 AM.

supervision, visualization, writing – review & editing, 10 W. Wojnowski, M. Tobiszewski, F. Pena-Pereira and
V. Samanidou: conceptualization, data curation, formal ana- E. Psillakis, TrAC, Trends Anal. Chem., 2022, 149,
lysis, methodology, supervision, visualization, writing – review 116553.
& editing. 11 P. M. Nowak, R. Wietecha-Posłuszny and J. Pawliszyn, TrAC,
Trends Anal. Chem., 2021, 138, 116223.
12 P. M. Nowak and P. Kościelniak, Anal. Chem., 2019, 91,
Conflicts of interest 10343–10352.
13 Commission of the European Communities: European
There are no conflicts to declare. Commission Decision of 12 August 2002 Implementing
Council Directive 96/23/ EC Concerning the Performance
of Analytical Methods and the Interpretation of Results
Acknowledgements (2002/657/EC), Off J Eur Comm, L 221, 8–36.
14 J. P. Hutchinson, L. Setkova and J. Pawliszyn, J. Chromatogr.
Financial support of the study from Gdańsk University of A, 2007, 1149, 127–137.
Technology by the 32/WCh-BR/2021 grant under the Iconic 15 J. D. Hunter, Comput. Sci. Eng., 2007, 9, 90–95.
Scholars-‘Excellence Initiative-Research University’ program is 16 K. D. Moreland, Diverging Color Maps for Scientific
gratefully acknowledged by Justyna Płotka-Wasylka. Graphical Visualization, 2009.
abstract was created with BioRender.com. 17 M. Locatelli, S. Covone, E. Rosato, M. Bonelli, F. Savini,
K. G. Furton, I. Gazioglu, C. D’Ovidio, A. Kabir and
A. Tartaglia, Forensic Chem., 2022, 31, 100460.
References 18 N. Manousi, I. Priovolos, A. Kabir, K. G. Furton,
V. F. Samanidou and A. Anthemidis, Anal. Chim. Acta, 2023,
1 P. T. Anastas and J. C. Warner, Green Chemistry: Theory and 1268, 341400.
Practice, Oxford University Press, New York, 1998. 19 G. Gao, Y. Xing, T. Liu, J. Wang and X. Hou, Microchem. J.,
2 A. Gałuszka, Z. Migaszewski and J. Namieśnik, TrAC, Trends 2019, 146, 126–133.
Anal. Chem., 2013, 50, 78–84. 20 A. Doumtsi, N. Manousi, C. Karavasili, D. G. Fatouros,
3 Á. I. López-Lorente, F. Pena-Pereira, S. Pedersen-Bjergaard, P. D. Tzanavaras and C. K. Zacharis, J. Sep. Sci., 2022, 45,
V. G. Zuin, S. A. Ozkan and E. Psillakis, TrAC, Trends Anal. 3955–3965.
Chem., 2022, 148, 116530. 21 V. C. Tsaftari, M. Tarara, P. D. Tzanavaras and G. Z. Tsogas,
4 P. M. Nowak, Green Chem., 2023, 25, 4625–4640. Sensors, 2023, 23, 5153.

7604 | Green Chem., 2023, 25, 7598–7604 This journal is © The Royal Society of Chemistry 2023