life combase - computational tool for the assessment and...

LIFE COMBASE - COMputational tool for the assessment and substitution of Biocidal Active substanceS of Ecotoxicological concern LIFE15 ENV/ES/416


INTRODUCTION TO THE LIFE COMBASE PROJECT

www.life-combase.com


LIFE COMBASE - COMputational tool for the assessment and substitution of Biocidal Active substanceS of Ecotoxicological concern - LIFE15 ENV/ES/416

CONTENTS OF PRESENTATION


1- What are biocides

2- How are biocides regulated?

3- What is missing?

4- What is new in the BPR –and relevant to COMBASE-?

5- Why COMBASE

6- Actions planned within COMBASE

7- Expected outputs



WHAT ARE BIOCIDES?

According to Regulation (EU) 528/2012 biocides are:

• Any substance or mixture in the form in which it is supplied to the user, consisting of, containing or

capable of generating one or more active substances, with the aim of destroying, eliminating,

rendering harmless, prevent the action of, or otherwise exert a controlling effect on any harmful organism by any means other than mere physical or mechanical action;

• Any substance or mixture, generated from substances or mixtures which are not covered as such

in the first indent, used with the intent to destroy, eliminate, render harmless, prevent the action of, or otherwise exert a controlling effect on any harmful organism by any means other than mere

physical or mechanical action;

• A treated article that has a primary biocide function is considered a biocide. • Common examples of such products are disinfectants, wood preservatives and insect repellents.


Biocides are NOT Plant Plant Protection Products (PPP) from a regulatory perspective.

However, both Biocides and Plant Plant Protection Products (PPP) can be grouped under the generic

concept of PESTICIDES*

*NOTE the difference in terms in comparison with the EPA in the USA where legislation is produced

generically for pesticides.

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MAIN GROUP 1: Disinfectants MAIN GROUP 2: Preservatives MAIN GROUP 3: Pest control MAIN GROUP 4: Other biocidal

products

These product types exclude cleaning products that are not intended to have a biocidal effect, including washing liquids, powders and similar products

Unless otherwise stated these product-types include only products to prevent microbial and algal development

Product-type 14: Rodenticides Product-type 15: Avicides Product-type 16: Molluscicides, vermicides and products to control other invertebrates Product-type 17: Piscicides Product-type 18: Insecticides, acaricides and products to control other arthropods Product-type 19: Repellents and attractants Product-type 20: Control of other vertebrates

Product-type 21: Antifouling products Product-type 22: Embalming and taxidermist fluids Product-type 1: Human hygiene

Product-type 2: Disinfectants and algaecides not intended for direct application to humans or animals Product-type 3: Veterinary hygiene Product-type 4: Food and feed area Product-type 5: Drinking water

Product-type 6: Preservatives for products during storage Product-type 7: Film preservatives Product-type 8: Wood preservatives Product-type 9: Fibre, leather, rubber and polymerised materials preservatives Product-type 10: Construction material preservatives Product-type 11: Preservatives for liquid-cooling and processing systems Product-type 12: Slimicides Product-type 13: Working or cutting fluid preservatives




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HOW ARE BIOCIDES REGULATED? (I) • Biocides are regulated at EU Level by the Biocidal Products Regulation (BPR, Regulation (EU) 528/2012) -

& ulterior amendments such as the Regulation (EU) No 334/2014 of the European Parliament and

Council amending the BPR with regard to certain conditions for access to the market [Article 95].

• This regulation concerns the placing on the market and use of biocidal products, which are used to

protect humans, animals, materials or articles against harmful organisms like pests or bacteria, by the

action of the active substances contained in the biocidal product. This regulation aims to improve the

functioning of the biocidal products market in the EU, while ensuring a high level of protection for

humans and the environment.

• Former regulation was the Biocidal Products Directive (Directive 98/8/EC).

• Process consists of two consecutive steps: 1- Approval of the Biocidal Active Substance for a specific PT &

2- Authorisation of the Biocidal Product.

• The active substances are first assessed by an evaluating Member State competent authority and the

results of these evaluations are forwarded to ECHA's Biocidal Products Committee, which prepares an

opinion within 270 days. The opinion serves as the basis for the decision on approval which is adopted by

the EC. The approval of an active substance is granted for a defined number of years, not exceeding 10

years and is renewable. The approval is for a specific product type.


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HOW ARE BIOCIDES REGULATED? (II)

• For Existing Biocidal Active Substances, ie, substances which were on the market on 14 May 2000

as an active substance of a biocidal product, a REVIEW PROGRAMME was set up by the Biocidal Products Directive (BPD) and continues under the Biocidal Products Regulation (BPR). Foreseen to

be completed 2024.

• Those substances are listed in the Annex II to Commission Regulation (EC) No 1451/2007.

• Additional information in the Review Programme Regulation (EU) No 1062/2014.

Active substances which are not part of the Review Programme may in certain cases continue to be

made available on the EU market. This is only possible if several conditions are met.




HOW ARE BIOCIDES REGULATED? (III)

An active substance will be considered as a candidate for substitution if any of the following criteria

are met: • It meets at least one of the exclusion criteria.

• It is classified as a respiratory sensitiser.

• Its toxicological reference values are significantly lower than those of the majority of approved active substances for the same product-type and use.

• It meets two of the criteria to be considered as PBT [Persistent Bioaccumulative Toxic (chemical)].

• It causes concerns for human or animal health and for the environment even with very restrictive risk management measures.

• It contains a significant proportion of non-active isomers or impurities.

If during the approval process [or review process] of an active substance, the evaluating competent

authority identifies an active substance as a potential candidate for substitution, this will be listed in

the conclusions of its evaluation. In such cases, ECHA will initiate a public consultation.




WHAT IS MISSING?

• DIRECTIVE 2009/128/EC OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 21 October

2009 establishing a framework for Community action to achieve the sustainable use of pesticides. This Directive shall apply to pesticides that are plant protection products as defined in point 10(a)

of Article 3: No equivalent initiative for Biocidal Active Substances.

• No reference at all to specific concerns to sensitive target groups (pregnant women, old people,

children), in contrast with programs in other countries (EPA).


• No easy way to identify the so called:

ecotoxicologically relevant metabolites.



WHAT IS NEW IN THE BPR –AND RELEVANT TO COMBASE-?

• Specific provisions to reduce animal testing [Article 57]:

To avoid duplication of testing on vertebrates, owners of existing data and prospective applicants must

share data involving tests on vertebrates for biocidal active substances and products already

submitted to ECHA or the MSCAs under the BPR or Directive 98/8/ EC. First, the prospective applicants should enquire from ECHA about the contact details of the data submitters. While sharing of

vertebrate data is mandatory, the prospective applicant may also request to share non-vertebrate

data. Where an enquiry has been made, and then negotiations fail in spite of every effort of the applicant, ECHA can grant permission to the applicant to refer to the data.

• The Directive encourages the use of alternative testing methods. Computational chemistry is, thus, a viable option


The main target of the LIFE-COMBASE Project is to promote the sustainable use of biocidal active

substances from a life cycle perspective. To this end, an on-line information system based on the combination of evidence based decision support systems (EBDSS) and proven computational

toxicology modelling approaches will be implemented.

According to the COM(2016) 151*, Sustainable use can be defined for biocidal products as the

objective of reducing the risks and impacts of the use of biocidal products on human health, animal

health and the environment and of promoting the use of integrated pest management and of alternative approaches or techniques such as non-chemical alternatives to biocidal products.

*REPORT FROM THE COMMISSION TO THE EUROPEAN PARLIAMENT AND THE COUNCIL on the sustainable use of

biocides pursuant to Article 18 of Regulation (EU) No 528/2012 of the European Parliament and of the Council

concerning the making available on the market and use of biocidal products. Brussels, 17.03.2016 [COM(2016) 151].



WHY COMBASE? (I)


On Line information system

Computational modelling Decision support system




WHY COMBASE? (II)

The specific objectives of the project include:

• Minimize the environmental effects associated to active substances, metabolites, degradation and reaction products from biocides.

• Reduce the need of animal testing by promoting the use of computational tools for ecotoxicological effects prediction as a non-testing alternative.

• Demonstrate the effectiveness of computational models to minimize the environmental impacts from active substances in biocidal products.

• Complementarities establishment with previously developed LIFE Projects, (ANTARES, CALEIDOS & PROSIL, amongst other). Along with previous projects in the present field, the COMBASE Projects seeks to contribute to the standardisation of the use of non-testing methods by the chemical industry.

• Contribute to the consolidation of the knowledge base on the hazard of biocide active substances from a life cycle perspective.

• Disseminate the project results to a large community of SMEs and relevant stakeholders.



WHY COMBASE? (II)




ACTIONS PLANNED WITHIN COMBASE




EXPECTED OUTPUTS (I)

• On-line platform based on computational chemistry to support decision making on the basis of the ecotoxicological properties of biocide active substances and potential metabolites.

• Demonstration of the operability and robustness of the models integrated in the COMBASE DSS in a total of four trophic levels: bacteria, algae, Daphnia and fish.

• Promotion of in silico methods to scrutinize the ecotoxicological potential of candidate new chemicals before their synthesis.

• For industrial stakeholders and regulators:

Identification of the most critical biocides based on PBT and CMR* criteria: the 10% of the most critical biocides will be identified. Identification of molecular features responsible for the ecotoxicity of the most critical biocides: At least 15 structural alerts, or critical physico-chemical parameters will be identified. Identification of safe moieties which can be used within the planning of safer biocides: At least 15 safe fragments, or critical physico-chemical parameters will be identified.

* PBT: Persistent, Bioaccumulative & Toxic // CMR: Carcinogenic, mutagenic or toxic to reproduction




EXPECTED OUTPUTS (II)

• In relation to consumers, a new consciousness in the use of biocidal products will be promoted targeting informed consumers for the responsible and sustainable use of biocidal active substances containing products.

• The suitability of computational approaches for metabolites derivatization in alternative chemical

products (PPP and chemicals in general – REACH) will be assessed within the replicability strategy.




María Blázquez Sánchez – INKOA SISTEMAS [email protected]


THANKS FOR YOUR ATTENTION!

QUESTIONS?

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