In order to optimally assess a molecule, much information is required, which experimentally can usually not be simply and quickly accessed.


Service catalogue of EDC

Assessments of the properties and effects of chemicals and pharmaceuticals by means of computer-based methods ((quantitative) structural property relationships; (Q)SAR; dispersion models), targeted design of chemicals and pharmaceuticals, optimisation of chemical leads.


Consultation on (Q)SAR in general.

 

Assessment of Environmental Fate and Effects of Pharmaceuticals according EMEA Guideline


Sustainable chemistry and pharmacy, environmental chemistry, environmental hygiene.


Consultation for analytical questions.


Consultation and training about hazardous wastes, outdated pharmaceuticals, hazardous material ordinance and environmental management.

 

We will gladly create a detailed offer which meets your wishes and requirements.

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1  Chemistry informatics

        General information:

  • Design, validation and usage of (Q) SAR

  • Evaluation of (Q)SAR models and (Q)SAR software

  • Data bank research (material data, literature)

       

Evaluations and prognoses


The following listing presents a selection. Many more than a hundred modules and end points are available, currently including those which are used by the U.S. Food and Drug Administration (U.S. FDA) and the U.S. Environmental Protection Agency (U.S. EPA).

  • Human toxicity:

    • Calculation of toxic end points according to FDA

    • Acute toxicity in mammals: various models in rat and mouse, male/female animals

    • Carcinogenicity (rodents: hamster, rat, mouse; male, female; hepatocarcinogenity)

    • Estrogenic activity

    • Cyto-toxicity

    • Teratogenicity

    • Immuno-toxicity

    • Neurotoxicity

    • Skin irritation

    • Developmental toxicity

    • Mutagenicity (Salmonella +- S9 , Ames et al.; UDS, SCE,

    • Micronucleus test, FDA: diverse organisms, cells)

    • Enzyme obstruction

    • ...

  • Skin and eye irritation, allergenic potential, skin penetration


  • ADME (Absorption, Distribution, Metabolism, Excretion)

    • Physical-chemical data (log Pow, log Koc, water solubility etc.)

    • Protein binding

    • Oral availability

    • Renal excretion

    • Mammal/human metabolism

    • Distribution volume

    • Adverse effects on the liver

    • Lipinsky Rule of Five

    • Effect against pathogenic germs, HIV, malaria

    • ...

  • Environmental behaviour and fate:
    • Biological biodegradability according to OECD/EU-Tests, MITI-Tests (e.g.. OECD 301 B,D; 302 B)

    • Bio-accumulation

    • Physical-chemical data (log Pow, log Koc, water solubility, Henry coefficient etc.)

    • ...

  • Prediction of transformation products

    • Products of the photochemical decomposition

    • Products of bacterial metabolism

    • Products of mammal metabolism

    • ...

  • Eco-toxicology (international standardised tests according to ISO, OECD, EU):

    • Bacterial toxicity

    • Fish toxicity

    • Daphnia toxicity

    • Algae toxicity

    • Endocrine activity

2   Consultation and training in connection with hazardous materials
      and environmental management

  • Hazardous material management, handling, storage, transport and removal of hazardous wastes as well as radioactive materials

  • Hazardous material transport in connection with disposal

  • Concerns of emission, soil and water protection

  • New construction plans when hazardous materials should be stored or processed

  • Disassembly work when contamination or impurities must be reckoned with

  • Carrying out of briefings, training courses

  • Creation of operating instructions

  • Effective delegation of responsibility

  • Creation of check-lists, implementation of structures during the design of environmental management systems

3    Chemical analysis, environmental chemistry, environmental hygiene, sustainable chemistry and pharmacy
  • Assessment of experimental data: Environmental behaviour of chemicals

  • Assessment of analytical procedures and results
    • Gas chromatography coupled with mass-spectrometry (GC, GC/MS; GC/MS-M)

    • Liquid chromatography (HPLC), coupled with mass-spectrometry LC/MS-MS

    • Summation parameters such as DOC, AOX, etc.

  • Material flow management

    • Balancing

    • Theoretical background

    • Waste water cadastre

    • Environmental management according to ISO and EMAS

  • Sustainable chemistry and sustainable pharmacy Concepts

    • Concepts

    • Environmental behaviour of chemicals and pharmaceuticals

    • Raw material basis

    • Synthesis

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© EDC Chemical Consulting | Thu, September 19th, 2019