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Biodegradation in water: screening tests

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Reference
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Reference:
Composition 0
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
The Biodegradation Probability Program (BIOWIN) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms .The model is part of the EpiSuite program of the US-EPA. Estimations are made with BIOWIN version 4.10Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses. Experimental biodegradation data for the multiple linear and non-linear regressions were obtained from Syracuse Research Corporation's (SRC) data base of evaluated biodegradation data (Howard et. al., 1987). This version (v4.10) designates the models as follows (see also Boethling et al. 2003):
Biowin1 = linear probability model
Biowin2 = nonlinear probability model
Biowin3 = expert survey ultimate biodegradation model
Biowin4 = expert survey primary biodegradation model
Biowin5 = MITI linear model
Biowin6 = MITI nonlinear model
Biowin7 = anaerobic biodegradation model
GLP compliance:
no
Test material information:
Composition 1
Oxygen conditions:
other: aerobic (Biowin 1-6) and anaerobic (Biowin 7)
Inoculum or test system:
other: mixed populations of environmental microorganisms
Duration of test (contact time):
2.713 wk
Details on study design:
Using the computer tool BIOWIN v4.10 by US-EPA (EPIWIN) the aerobic as well as the anaerobic biodegradability of the test material can be estimated. The follwoing seven different models are used by the tool: Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (calles Biowin 1-7, respectively). Due to this results the overall prediction of readily biodegradability is done for the desired chemical.
Parameter:
other: Half-life
Value:
50
Sampling time:
2.713 wk
Remarks on result:
other: other details not known
Details on results:
Biowin1 (Linear Model Prediction) : 0.1837: Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): 0.0432: Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): 2.7131: Weeks-Months
Biowin4 (Primary Biodegradation Timeframe): 3.4389: Days-Weeks
Biowin5 (MITI Linear Model Prediction) : -0.0383: Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): 0.0231: Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): -0.3911: Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO

BIOWIN (v4.10) Program Results:

==============================

SMILES : c1cc2cc(ccc2c(c1)N)S(=O)(=O)O

CHEM :

MOL FOR: C10 H9 N1 O3 S1

MOL WT : 223.25

--------------------------- BIOWIN v4.10 Results ----------------------------

Biowin1 (Linear Model Prediction) : Does Not Biodegrade Fast

Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast

Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months

Biowin4 (Primary Biodegradation Timeframe): Days-Weeks

Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast

Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast

Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast

Ready Biodegradability Prediction: NO

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.2338 | -0.2338

Frag | 1 | Sulfonic acid / salt -> aromatic attach | -0.2238 | -0.2238

MolWt| * | Molecular Weight Parameter | | -0.1063

Const| * | Equation Constant | | 0.7475

============+============================================+=========+=========

RESULT | Biowin1 (Linear Biodeg Probability) | | 0.1837

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -1.9070 | -1.9070

Frag | 1 | Sulfonic acid / salt -> aromatic attach | -1.0283 | -1.0283

MolWt| * | Molecular Weight Parameter | | -3.1701

============+============================================+=========+=========

RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.0432

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin3 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.1349 | -0.1349

Frag | 1 | Sulfonic acid / salt -> aromatic attach | 0.1422 | 0.1422

MolWt| * | Molecular Weight Parameter | | -0.4933

Const| * | Equation Constant | | 3.1992

============+============================================+=========+=========

RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.7131

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.1084 | -0.1084

Frag | 1 | Sulfonic acid / salt -> aromatic attach | 0.0216 | 0.0216

MolWt| * | Molecular Weight Parameter | | -0.3221

Const| * | Equation Constant | | 3.8477

============+============================================+=========+=========

RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.4389

============+============================================+=========+=========

Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks

(Primary & Ultimate) 2.00 -> months 1.00 -> longer

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin5 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.1577 | -0.1577

Frag | 1 | Sulfonic acid / salt -> aromatic attach | 0.0221 | 0.0221

Frag | 6 | Aromatic-H | 0.0082 | 0.0493

MolWt| * | Molecular Weight Parameter | | -0.6642

Const| * | Equation Constant | | 0.7121

============+============================================+=========+=========

RESULT | Biowin5 (MITI Linear Biodeg Probability) | | -0.0383

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -1.2264 | -1.2264

Frag | 1 | Sulfonic acid / salt -> aromatic attach | 0.6780 | 0.6780

Frag | 6 | Aromatic-H | 0.1201 | 0.7208

MolWt| * | Molecular Weight Parameter | | -6.4449

============+============================================+=========+=========

RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.0231

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable

A Probability Less Than 0.5 indicates --> NOT Readily Degradable

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin7 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.2778 | -0.2778

Frag | 1 | Sulfonic acid / salt -> aromatic attach | -0.3768 | -0.3768

Frag | 6 | Aromatic-H | -0.0954 | -0.5726

Const| * | Equation Constant | | 0.8361

============+============================================+=========+=========

RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | -0.3911

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

Ready Biodegradability Prediction: (YES or NO)

----------------------------------------------

Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey

model) result is "weeks" or faster (i.e. "days", "days to weeks", or

"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then

the prediction is YES (readily biodegradable). If this condition is not

satisfied, the prediction is NO (not readily biodegradable). This method

is based on application of Bayesian analysis to ready biodegradation data

(see Help). Biowin5 and 6 also predict ready biodegradability, but for

degradation in the OECD301C test only; using data from the Chemicals

Evaluation and Research Institute Japan (CERIJ) database.

Validity criteria fulfilled:
not specified
Interpretation of results:
under test conditions no biodegradation observed
Conclusions:
The screening test ready biodegradability of the substance was calculated using the software BIOWIN v4.10.
The results indicate that (5Or8)-aminonaphthalene-2-sulphonic acid is not expected to be readily biodegradable.
Executive summary:

Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound (5Or8)-aminonaphthalene-

2-sulphonic acid (CAS no. 51548 -48 -2). The screening tests ready biodegradability of the test substance was calculated using the software BIOW IN v4.10. The results indicate that (5Or8)-aminonaphthalene-2-sulphonic acid is not expected to be readily biodegradable in nature.

Description of key information

Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound (5Or8)-aminonaphthalene-2-sulphonic acid (CAS no. 51548 -48 -2). The screening tests ready biodegradability of the test substance was calculated using the software BIOWIN v4.10. The results indicate that (5Or8)-aminonaphthalene-2-sulphonic acid is not expected to be readily biodegradablein nature.

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed

Additional information

The predicted data for the test compound(5Or8)-aminonaphthalene-2-sulphonic acid(CAS No. 51548-48-2) and the study for its read across substance were reviewed for the biodegradation end point which are summarized as below:

Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound (5Or8)-aminonaphthalene-2-sulphonic acid (CAS no. 51548 -48 -2). The screening tests ready biodegradability of the test substance was calculated using the software BIOWIN v4.10. The results indicate that (5Or8)-aminonaphthalene-2-sulphonic acid is not expected to be readily biodegradablein nature.

Biodegradation study was conducted (GREIM H, 1994) for 30 days for evaluating the percentage biodegradability of test substance

1,3-Naphthalenedisulfonic acid, 6-amino-. No degradation of test substance was determined by BOD in 30 days. Thus, the substance 1,3-Naphthalenedisulfonic acid, 6-amino- is not expected to be readily biodegradable in water.

A batch test in an open system was conducted (P. Pitter, 1976) for evaluating the biodegradability of1-Naphthylamine-6-sulphonic acid. The compound was the sole source of organic carbon for the microbes of the inoculum. Degradation was studied by determining COD (organic carbon). The pH of the biological medium was 7.2. Initial concentration; 125 - 200mg/l COD. Inoculum; Activated sludge, adapted for 20 days, fed by glucose and peptone with simultaneous addition of the substance tested in the concentration up to 125 mg/l. The sludge age was 5 days. Concentration of the inoculum; 100mg/l. Average temperature during the experiment; 20°C. Under the test conditions the compound was found to be biologically hard to decompose(non-biodegradable).

Biodegradation study was conducted (J-CHECK, 2016) for 28 days for evaluating the percentage biodegradability of test substance 2-Amino-1,5-naphthalenedisulfonic acid. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of test substance was found to be 1% by BOD, 0% by HPLC and 5% by TOC removal in 28 days. Thus, the substance 2-Amino-1,5-naphthalenedisulfonic acidis not expected to be readily biodegradable in water.

 

Biodegradation study was conducted (J-CHECK, 2016) for 14 days for evaluating the percentage biodegradability of test substanceSodium naphthionate. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of test substance was determined to be 0% by BOD, O2 consumption, UV-Vis and Test mat. analysis and < 0%by TOC removal in 14 days. Thus, the substanceSodium naphthionateis not expected to be readily biodegradable in water.

 

On the basis of above results for target and read across substance, it can be concluded that the test substance (5Or8)-aminonaphthalene-2-sulphonic acidcan be expected to be not readily biodegradable in nature.