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char = P;code = 80
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char = e;code = 101
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char = r;code = 114
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char = n;code = 110
char = .;code = 46
result sql = Determination of n-octanol/water partition coefficient for DDT-related compounds by RP-HPLC with a novel dual-point retention time correction.
Determination of n-octanol/water partition coefficient for DDT-related compounds by RP-HPLC with a novel dual-point retention time correction.
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char = e;code = 101
char = l;code = 108
char = a;code = 97
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = ;code = 32
char = c;code = 99
char = o;code = 111
char = e;code = 101
char = f;code = 102
char = f;code = 102
char = i;code = 105
char = c;code = 99
char = i;code = 105
char = e;code = 101
char = n;code = 110
char = t;code = 116
char = ;code = 32
char = R;code = 82
char = (;code = 40
char = c;code = 99
char = v;code = 118
char = );code = 41
char = (;code = 40
char = 2;code = 50
char = );code = 41
char = ;code = 32
char = o;code = 111
char = f;code = 102
char = ;code = 32
char = 0;code = 48
char = .;code = 46
char = 9;code = 57
char = 8;code = 56
char = 3;code = 51
char = ;code = 32
char = a;code = 97
char = n;code = 110
char = d;code = 100
char = ;code = 32
char = s;code = 115
char = t;code = 116
char = a;code = 97
char = n;code = 110
char = d;code = 100
char = a;code = 97
char = r;code = 114
char = d;code = 100
char = ;code = 32
char = d;code = 100
char = e;code = 101
char = v;code = 118
char = i;code = 105
char = a;code = 97
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = ;code = 32
char = (;code = 40
char = S;code = 83
char = D;code = 68
char = );code = 41
char = ;code = 32
char = o;code = 111
char = f;code = 102
char = ;code = 32
char = 0;code = 48
char = .;code = 46
char = 1;code = 49
char = 5;code = 53
char = 6;code = 54
char = .;code = 46
char = ;code = 32
char = T;code = 84
char = h;code = 104
char = i;code = 105
char = s;code = 115
char = ;code = 32
char = m;code = 109
char = o;code = 111
char = d;code = 100
char = e;code = 101
char = l;code = 108
char = ;code = 32
char = w;code = 119
char = a;code = 97
char = s;code = 115
char = ;code = 32
char = f;code = 102
char = u;code = 117
char = r;code = 114
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = r;code = 114
char = ;code = 32
char = v;code = 118
char = a;code = 97
char = l;code = 108
char = i;code = 105
char = d;code = 100
char = a;code = 97
char = t;code = 116
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = u;code = 117
char = s;code = 115
char = i;code = 105
char = n;code = 110
char = g;code = 103
char = ;code = 32
char = f;code = 102
char = o;code = 111
char = u;code = 117
char = r;code = 114
char = ;code = 32
char = v;code = 118
char = e;code = 101
char = r;code = 114
char = i;code = 105
char = f;code = 102
char = i;code = 105
char = c;code = 99
char = a;code = 97
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = ;code = 32
char = c;code = 99
char = o;code = 111
char = m;code = 109
char = p;code = 112
char = o;code = 111
char = u;code = 117
char = n;code = 110
char = d;code = 100
char = s;code = 115
char = ,;code = 44
char = ;code = 32
char = n;code = 110
char = a;code = 97
char = p;code = 112
char = h;code = 104
char = t;code = 116
char = h;code = 104
char = a;code = 97
char = l;code = 108
char = e;code = 101
char = n;code = 110
char = e;code = 101
char = ,;code = 44
char = ;code = 32
char = b;code = 98
char = i;code = 105
char = p;code = 112
char = h;code = 104
char = e;code = 101
char = n;code = 110
char = y;code = 121
char = l;code = 108
char = ,;code = 44
char = ;code = 32
char = 2;code = 50
char = ,;code = 44
char = 2;code = 50
char = -;code = 45
char = b;code = 98
char = i;code = 105
char = s;code = 115
char = (;code = 40
char = 4;code = 52
char = -;code = 45
char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
char = r;code = 114
char = o;code = 111
char = p;code = 112
char = h;code = 104
char = e;code = 101
char = n;code = 110
char = y;code = 121
char = l;code = 108
char = );code = 41
char = -;code = 45
char = 1;code = 49
char = ,;code = 44
char = 1;code = 49
char = -;code = 45
char = d;code = 100
char = i;code = 105
char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
char = r;code = 114
char = o;code = 111
char = e;code = 101
char = t;code = 116
char = h;code = 104
char = a;code = 97
char = n;code = 110
char = e;code = 101
char = ;code = 32
char = (;code = 40
char = p;code = 112
char = ,;code = 44
char = p;code = 112
char = ';code = 39
char = -;code = 45
char = D;code = 68
char = D;code = 68
char = D;code = 68
char = );code = 41
char = ;code = 32
char = a;code = 97
char = n;code = 110
char = d;code = 100
char = ;code = 32
char = 2;code = 50
char = ,;code = 44
char = 2;code = 50
char = -;code = 45
char = b;code = 98
char = i;code = 105
char = s;code = 115
char = (;code = 40
char = 4;code = 52
char = -;code = 45
char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
char = r;code = 114
char = o;code = 111
char = p;code = 112
char = h;code = 104
char = e;code = 101
char = n;code = 110
char = y;code = 121
char = l;code = 108
char = );code = 41
char = -;code = 45
char = 1;code = 49
char = ,;code = 44
char = 1;code = 49
char = -;code = 45
char = d;code = 100
char = i;code = 105
char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
char = r;code = 114
char = o;code = 111
char = e;code = 101
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = n;code = 110
char = e;code = 101
char = ;code = 32
char = (;code = 40
char = p;code = 112
char = ,;code = 44
char = p;code = 112
char = ';code = 39
char = -;code = 45
char = D;code = 68
char = D;code = 68
char = E;code = 69
char = );code = 41
char = ;code = 32
char = w;code = 119
char = i;code = 105
char = t;code = 116
char = h;code = 104
char = ;code = 32
char = s;code = 115
char = i;code = 105
char = m;code = 109
char = i;code = 105
char = l;code = 108
char = a;code = 97
char = r;code = 114
char = ;code = 32
char = s;code = 115
char = t;code = 116
char = r;code = 114
char = u;code = 117
char = c;code = 99
char = t;code = 116
char = u;code = 117
char = r;code = 114
char = e;code = 101
char = ;code = 32
char = t;code = 116
char = o;code = 111
char = ;code = 32
char = D;code = 68
char = D;code = 68
char = T;code = 84
char = .;code = 46
char = ;code = 32
char = T;code = 84
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = R;code = 82
char = P;code = 80
char = -;code = 45
char = H;code = 72
char = P;code = 80
char = L;code = 76
char = C;code = 67
char = -;code = 45
char = d;code = 100
char = e;code = 101
char = t;code = 116
char = e;code = 101
char = r;code = 114
char = m;code = 109
char = i;code = 105
char = n;code = 110
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = P;code = 80
char = ;code = 32
char = v;code = 118
char = a;code = 97
char = l;code = 108
char = u;code = 117
char = e;code = 101
char = s;code = 115
char = ;code = 32
char = s;code = 115
char = h;code = 104
char = o;code = 111
char = w;code = 119
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = g;code = 103
char = o;code = 111
char = o;code = 111
char = d;code = 100
char = ;code = 32
char = c;code = 99
char = o;code = 111
char = n;code = 110
char = s;code = 115
char = i;code = 105
char = s;code = 115
char = t;code = 116
char = e;code = 101
char = n;code = 110
char = c;code = 99
char = y;code = 121
char = ;code = 32
char = w;code = 119
char = i;code = 105
char = t;code = 116
char = h;code = 104
char = ;code = 32
char = s;code = 115
char = h;code = 104
char = a;code = 97
char = k;code = 107
char = e;code = 101
char = -;code = 45
char = f;code = 102
char = l;code = 108
char = a;code = 97
char = s;code = 115
char = k;code = 107
char = ;code = 32
char = (;code = 40
char = S;code = 83
char = F;code = 70
char = M;code = 77
char = );code = 41
char = ;code = 32
char = o;code = 111
char = r;code = 114
char = ;code = 32
char = s;code = 115
char = l;code = 108
char = o;code = 111
char = w;code = 119
char = -;code = 45
char = s;code = 115
char = t;code = 116
char = i;code = 105
char = r;code = 114
char = r;code = 114
char = i;code = 105
char = n;code = 110
char = g;code = 103
char = ;code = 32
char = (;code = 40
char = S;code = 83
char = S;code = 83
char = M;code = 77
char = );code = 41
char = ;code = 32
char = r;code = 114
char = e;code = 101
char = s;code = 115
char = u;code = 117
char = l;code = 108
char = t;code = 116
char = s;code = 115
char = ,;code = 44
char = ;code = 32
char = e;code = 101
char = s;code = 115
char = p;code = 112
char = e;code = 101
char = c;code = 99
char = i;code = 105
char = a;code = 97
char = l;code = 108
char = l;code = 108
char = y;code = 121
char = ;code = 32
char = f;code = 102
char = o;code = 111
char = r;code = 114
char = ;code = 32
char = h;code = 104
char = i;code = 105
char = g;code = 103
char = h;code = 104
char = l;code = 108
char = y;code = 121
char = ;code = 32
char = h;code = 104
char = y;code = 121
char = d;code = 100
char = r;code = 114
char = o;code = 111
char = p;code = 112
char = h;code = 104
char = o;code = 111
char = b;code = 98
char = i;code = 105
char = c;code = 99
char = ;code = 32
char = c;code = 99
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char = m;code = 109
char = p;code = 112
char = o;code = 111
char = u;code = 117
char = n;code = 110
char = d;code = 100
char = s;code = 115
char = ;code = 32
char = w;code = 119
char = i;code = 105
char = t;code = 116
char = h;code = 104
char = ;code = 32
char = l;code = 108
char = o;code = 111
char = g;code = 103
char = P;code = 80
char = ;code = 32
char = i;code = 105
char = n;code = 110
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = r;code = 114
char = a;code = 97
char = n;code = 110
char = g;code = 103
char = e;code = 101
char = ;code = 32
char = o;code = 111
char = f;code = 102
char = ;code = 32
char = 4;code = 52
char = -;code = 45
char = 7;code = 55
char = .;code = 46
char = ;code = 32
char = T;code = 84
char = h;code = 104
char = e;code = 101
char = n;code = 110
char = ,;code = 44
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = P;code = 80
char = ;code = 32
char = v;code = 118
char = a;code = 97
char = l;code = 108
char = u;code = 117
char = e;code = 101
char = s;code = 115
char = ;code = 32
char = f;code = 102
char = o;code = 111
char = r;code = 114
char = ;code = 32
char = f;code = 102
char = i;code = 105
char = v;code = 118
char = e;code = 101
char = ;code = 32
char = D;code = 68
char = D;code = 68
char = T;code = 84
char = -;code = 45
char = r;code = 114
char = e;code = 101
char = l;code = 108
char = a;code = 97
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char = e;code = 101
char = d;code = 100
char = ;code = 32
char = c;code = 99
char = o;code = 111
char = m;code = 109
char = p;code = 112
char = o;code = 111
char = u;code = 117
char = n;code = 110
char = d;code = 100
char = s;code = 115
char = ,;code = 44
char = ;code = 32
char = 2;code = 50
char = -;code = 45
char = (;code = 40
char = 2;code = 50
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char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
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char = o;code = 111
char = p;code = 112
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char = e;code = 101
char = n;code = 110
char = y;code = 121
char = l;code = 108
char = );code = 41
char = -;code = 45
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char = (;code = 40
char = 4;code = 52
char = -;code = 45
char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
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char = o;code = 111
char = p;code = 112
char = h;code = 104
char = e;code = 101
char = n;code = 110
char = y;code = 121
char = l;code = 108
char = );code = 41
char = -;code = 45
char = 1;code = 49
char = ,;code = 44
char = 1;code = 49
char = ,;code = 44
char = 1;code = 49
char = -;code = 45
char = t;code = 116
char = r;code = 114
char = i;code = 105
char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
char = r;code = 114
char = o;code = 111
char = e;code = 101
char = t;code = 116
char = h;code = 104
char = a;code = 97
char = n;code = 110
char = e;code = 101
char = ;code = 32
char = (;code = 40
char = o;code = 111
char = ,;code = 44
char = p;code = 112
char = ';code = 39
char = -;code = 45
char = D;code = 68
char = D;code = 68
char = T;code = 84
char = );code = 41
char = ,;code = 44
char = ;code = 32
char = 2;code = 50
char = -;code = 45
char = (;code = 40
char = 2;code = 50
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char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
char = r;code = 114
char = o;code = 111
char = p;code = 112
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char = e;code = 101
char = n;code = 110
char = y;code = 121
char = l;code = 108
char = );code = 41
char = -;code = 45
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char = (;code = 40
char = 4;code = 52
char = -;code = 45
char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
char = r;code = 114
char = o;code = 111
char = p;code = 112
char = h;code = 104
char = e;code = 101
char = n;code = 110
char = y;code = 121
char = l;code = 108
char = );code = 41
char = -;code = 45
char = 1;code = 49
char = ,;code = 44
char = 1;code = 49
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char = d;code = 100
char = i;code = 105
char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
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char = e;code = 101
char = t;code = 116
char = h;code = 104
char = a;code = 97
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char = e;code = 101
char = ;code = 32
char = (;code = 40
char = o;code = 111
char = ,;code = 44
char = p;code = 112
char = ';code = 39
char = -;code = 45
char = D;code = 68
char = D;code = 68
char = D;code = 68
char = );code = 41
char = ,;code = 44
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char = 2;code = 50
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char = c;code = 99
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char = o;code = 111
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char = e;code = 101
char = n;code = 110
char = y;code = 121
char = l;code = 108
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char = (;code = 40
char = 4;code = 52
char = -;code = 45
char = c;code = 99
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char = l;code = 108
char = o;code = 111
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char = o;code = 111
char = p;code = 112
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char = e;code = 101
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char = y;code = 121
char = l;code = 108
char = );code = 41
char = -;code = 45
char = 1;code = 49
char = ,;code = 44
char = 1;code = 49
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char = d;code = 100
char = i;code = 105
char = c;code = 99
char = h;code = 104
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char = o;code = 111
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char = t;code = 116
char = h;code = 104
char = e;code = 101
char = n;code = 110
char = e;code = 101
char = ;code = 32
char = (;code = 40
char = o;code = 111
char = ,;code = 44
char = p;code = 112
char = ';code = 39
char = -;code = 45
char = D;code = 68
char = D;code = 68
char = E;code = 69
char = );code = 41
char = ,;code = 44
char = ;code = 32
char = a;code = 97
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char = d;code = 100
char = ;code = 32
char = 2;code = 50
char = ,;code = 44
char = 2;code = 50
char = ,;code = 44
char = 2;code = 50
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char = t;code = 116
char = r;code = 114
char = i;code = 105
char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
char = r;code = 114
char = o;code = 111
char = -;code = 45
char = 1;code = 49
char = ,;code = 44
char = 1;code = 49
char = -;code = 45
char = b;code = 98
char = i;code = 105
char = s;code = 115
char = (;code = 40
char = 4;code = 52
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char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
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char = o;code = 111
char = p;code = 112
char = h;code = 104
char = e;code = 101
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char = y;code = 121
char = l;code = 108
char = );code = 41
char = e;code = 101
char = t;code = 116
char = h;code = 104
char = a;code = 97
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char = l;code = 108
char = ;code = 32
char = (;code = 40
char = d;code = 100
char = i;code = 105
char = c;code = 99
char = o;code = 111
char = f;code = 102
char = o;code = 111
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char = );code = 41
char = ;code = 32
char = a;code = 97
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char = d;code = 100
char = ;code = 32
char = i;code = 105
char = t;code = 116
char = s;code = 115
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char = m;code = 109
char = a;code = 97
char = i;code = 105
char = n;code = 110
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char = d;code = 100
char = e;code = 101
char = g;code = 103
char = r;code = 114
char = a;code = 97
char = d;code = 100
char = a;code = 97
char = t;code = 116
char = i;code = 105
char = o;code = 111
char = n;code = 110
char = ;code = 32
char = p;code = 112
char = r;code = 114
char = o;code = 111
char = d;code = 100
char = u;code = 117
char = c;code = 99
char = t;code = 116
char = ;code = 32
char = 4;code = 52
char = ,;code = 44
char = 4;code = 52
char = ';code = 39
char = -;code = 45
char = d;code = 100
char = i;code = 105
char = c;code = 99
char = h;code = 104
char = l;code = 108
char = o;code = 111
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char = o;code = 111
char = b;code = 98
char = e;code = 101
char = n;code = 110
char = z;code = 122
char = o;code = 111
char = p;code = 112
char = h;code = 104
char = e;code = 101
char = n;code = 110
char = o;code = 111
char = n;code = 110
char = e;code = 101
char = ;code = 32
char = (;code = 40
char = p;code = 112
char = ,;code = 44
char = p;code = 112
char = ';code = 39
char = -;code = 45
char = D;code = 68
char = B;code = 66
char = P;code = 80
char = );code = 41
char = ;code = 32
char = w;code = 119
char = e;code = 101
char = r;code = 114
char = e;code = 101
char = ;code = 32
char = e;code = 101
char = v;code = 118
char = a;code = 97
char = l;code = 108
char = u;code = 117
char = a;code = 97
char = t;code = 116
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = b;code = 98
char = y;code = 121
char = ;code = 32
char = t;code = 116
char = h;code = 104
char = e;code = 101
char = ;code = 32
char = i;code = 105
char = m;code = 109
char = p;code = 112
char = r;code = 114
char = o;code = 111
char = v;code = 118
char = e;code = 101
char = d;code = 100
char = ;code = 32
char = R;code = 82
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result sql = n-Octanol/water partition coefficients (P) for DDTs and dicofol were determined by reversed-phase high performance liquid chromatography (RP-HPLC) on a C(18) column using methanol-water mixture as mobile phase. A dual-point retention time correction (DP-RTC) was proposed to rectify chromatographic retention time (t(R)) shift resulted from stationary phase aging. Based on this correction, the relationship between logP and logk(w), the logarithm of the retention factor extrapolated to pure water, was investigated for a set of 12 benzene homologues and DDT-related compounds with reliable experimental P as model compounds. A linear regression logP=(1.10±0.04) logk(w) - (0.60±0.17) was established with correlation coefficient R(2) of 0.988, cross-validated correlation coefficient R(cv)(2) of 0.983 and standard deviation (SD) of 0.156. This model was further validated using four verification compounds, naphthalene, biphenyl, 2,2-bis(4-chlorophenyl)-1,1-dichloroethane (p,p'-DDD) and 2,2-bis(4-chlorophenyl)-1,1-dichloroethene (p,p'-DDE) with similar structure to DDT. The RP-HPLC-determined P values showed good consistency with shake-flask (SFM) or slow-stirring (SSM) results, especially for highly hydrophobic compounds with logP in the range of 4-7. Then, the P values for five DDT-related compounds, 2-(2-chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane (o,p'-DDT), 2-(2-chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane (o,p'-DDD), 2-(2-chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethene (o,p'-DDE), and 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol (dicofol) and its main degradation product 4,4'-dichlorobenzophenone (p,p'-DBP) were evaluated by the improved RP-HPLC method for the first time. The excellent precision with SD less than 0.03 proved that the novel DP-RTC protocol can significantly increases the determination accuracy and reliability of P by RP-HPLC.

Publication: Chemosphere 2011 Mar ;83(2)::131-6. :doi: 10.1016/j.chemosphere.2011.01.013.
Publication Date: 2011 Mar
Study Author(s): Han, Shu-ying;Qiao, Jun-qin;Zhang, Yun-yang;Yang, Li-li;Lian, Hong-zhen;Ge, Xin;Chen, Hong-yuan;
Institution: Key Laboratory of Analytical Chemistry for Life Science (Ministry of Education of China), School of Chemistry & Chemical Engineering and Center of Materials Analysis, Nanjing University, 22 Hankou Road, Nanjing, China.
Shortcut link to this study:
n-Octanol/water partition coefficients (P) for DDTs and dicofol were determined by reversed-phase high performance liquid chromatography (RP-HPLC) on a C(18) column using methanol-water mixture as mobile phase. A dual-point retention time correction (DP-RTC) was proposed to rectify chromatographic retention time (t(R)) shift resulted from stationary phase aging. Based on this correction, the relationship between logP and logk(w), the logarithm of the retention factor extrapolated to pure water, was investigated for a set of 12 benzene homologues and DDT-related compounds with reliable experimental P as model compounds. A linear regression logP=(1.10±0.04) logk(w) - (0.60±0.17) was established with correlation coefficient R(2) of 0.988, cross-validated correlation coefficient R(cv)(2) of 0.983 and standard deviation (SD) of 0.156. This model was further validated using four verification compounds, naphthalene, biphenyl, 2,2-bis(4-chlorophenyl)-1,1-dichloroethane (p,p'-DDD) and 2,2-bis(4-chlorophenyl)-1,1-dichloroethene (p,p'-DDE) with similar structure to DDT. The RP-HPLC-determined P values showed good consistency with shake-flask (SFM) or slow-stirring (SSM) results, especially for highly hydrophobic compounds with logP in the range of 4-7. Then, the P values for five DDT-related compounds, 2-(2-chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane (o,p'-DDT), 2-(2-chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane (o,p'-DDD), 2-(2-chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethene (o,p'-DDE), and 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol (dicofol) and its main degradation product 4,4'-dichlorobenzophenone (p,p'-DBP) were evaluated by the improved RP-HPLC method for the first time. The excellent precision with SD less than 0.03 proved that the novel DP-RTC protocol can significantly increases the determination accuracy and reliability of P by RP-HPLC.
PMID: 21300395

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