Journal of the

Institution of Chemists (India)

Vol. 87 2015 PART 6

HYDRODYNAMIC MODELLING OF BIOPOLYMERS :

A CORRELATION APPRAOCH

JAYDIP DATTA1, S. N. CHATTERJEE2 AND T. K. BHATTACHARYA3

1Department of Chemistry, SREE CHAITYANA COLLEGE, Habra,

24, Pgs (N), 743268.
2Department of Physics, SREE CHAITYANA COLLEGE, Habra,
24, Pgs (N), 743268.
3Department of Chemical Technology, University of Calcutta,
92, A.P.C Road, Kolkata-700009.

Email : deepjoy1972@gmail.com

(Manuscript received on 20.12.2015, accepted on 25.12.2015)

ABSTRACT
In the earlier work1 by Datta et al the important hydrodynamic properties
like radius of gyration (Rg) and root mean square end to end separation (Rrms)
can be calculated through the known value of molecular weight (M). The
mathematical modelling was done by polynomial regression through a standard
software like curve finder. The present work correlates the most important
viscometric property , Diffusion coefficient (D)2,3 with the same hydrodynamic
properties like radius of gyration (Rg) i.e. D (Rg) of the biopolymers. It is
expected that a bulky biopolymer of Random Coil with high molecular weight
diffuse more slowly through a solvent than the Random Coil of low.

149
JAYDIP DATTA ET. AL. 150

METHODOLOGY

The value of Rg2,3 is responsible for conformational property of biopolymers.

The standard data4 of M [in kg mol-1] vs Rg [in nm] of biopolymers like Serum
Albumin Catalase and Myosin is analysed by Curve Expert to find out the Rg
as a known function of M. Among the power law family Hoerl Model is choosen
with minimum value of error (s) and correlation coefficient (r). The output model
equation(1) is shown in Table-1. Next the standard data3 of M vs D (10-10 m2/
sec) of biopolymers like Sucrose, Ribonuclease, Lysozymes, Serum Albumin
Haemoglobin, Urease Collagen and Myosin is analysed by the same software
with relevant value of s and r through the same model. The output model equation
(2) is shown in Table-2.

Table : 1
Power law fit-1 (Hoerel Model)

Model Relationship Regression Parameters

Rg = a * (bM) * (MC) eqn (1) Standard error (s) = 0.000

a = 7680, b = 1.014, c = - 0.154 Correlation coefficient (r)
[ 23.3 < M < 535.7 ] = 1.000

Table : 2
Power law fit-2(Hoerel Model)

Model Relationship Regression Parameters

D = a * (bM) * (MC) eqn (2) Standard error (s) = 0.1258

a = 3.076, b =0.998, c= -0.372 Correlation coefficient (r)
[ 0 < M < 542.3] = 1.000
HYDRODYNAMIC MODELLING OF 151

RESULTS AND DISCUSSION

By taking logarithm and expanding ln M by Taylor’s series in two model

equations of (1) and (2), we can get the following equation.

ln D= 0.245 ln Rg - 1.074 (eqn 3)

The eqn (3) is the desired function of D(Rg). This equation(3) relates the
two most important parameters namely Rg,, related to the stereochemical
conformation and D related to viscometric property of the above mentioned
biopolymers ranging from the above mentioned limits. For example. with a
standard data5 of molecular weight (M) of b- lactoglobulin the value of D can
be calculated from eqn(1) and (3) which is equal to 0.506 x 10-10 m2 / sec. From
equation (3) one may conclude that if we know the Rg value through light
scattering experiment, the value of D can be predicted.

ACKNOWLEDGEMENT

The authors are thankful to Dr. D. Banerjee and Dr. S. N. Pal, Associate
Professor and Reader in the Department of Chemistry, Sree Chaityana College,
Habra, for their continuous inspiration to prepare this paper.

SUMMARY

The model equation (3) is the desired log- log functional relationship D(Rg)
derived from the power law fit of two functions like Rg (M) and D (M). So
for a known value of M of a biopolymer the viscometric property D of biopolymer
can be calculated which results the calculation of viscosity h of globular protein
in a particular solvent. The desired calculated functional relationship D(Rg) shows
that as the Rg value increases the value of D also increases.
JAYDIP DATTA ET. AL. 152

REFERENCES

1. J. Datta, T. K. Bhattacharya, C. Bhattacharjee and B. R. De, J. Inst. Chemists (India),

79 (5), pp. 155-158 (2007).
2. P. Atkins, J. D. Paula, Physical Chemistry for the life Sciences, Oxford University Press,
New York, 1st Edn. pp. 526-528 (2006).
3. P. Atkins, J. D. Paula, Atkin’s Physical Chemistry, Oxford University Press, New York,
7th Edn. pp. 719-724, 1100 (2002).
4. C. Tanford. Physical Chemistry of Macromolecules, Wiley, New York, p. 307 (1961).
5. P. Narayanan, Essentials of Biophysics, New Age International (P) ltd, Ansari Road,
New Delhi-11002, p.175 (2003).