← +52 JQ T © ΑΙ SECTION C (SEEN Part of Exam Paper) Answer ONE question only in this section (Each question is worth 20 marks) 5. Answer ALL parts of this question. (a) The following QSAR equation was derived for the pesticide activity of structure Q5(a). Explain what the various terms mean and whether the equation is a valid one. Identify what kind of substituents would be best for activity. (b) (c) Q5(a) log 1/C = 1.08LogP + 2.41 σx-0.072 MRX +5.25 (n=16, r² = 0.840, s = 0.59) (10 marks) A QSAR equation for the anticonvulsant (Q5(b)) was derived as follows: Q5(b) log 1/C = 0.92 TTX - 0.34 TTX² + 3.18 (n=15, r² = 0.902, s = 0.09, πTo = 1.35) What conclusions can you draw from this equation in terms of the influence of the substituent hydrophobicity constant TT ? Which of the following X substituents would you expect to have the greatest activity CF3 (π 1.16), H (T = 0.00), or CH3 (πT = 0.52),? (5 marks) The following QSAR equation is related to the mutagenic activity of a series of nitrosoamines; log 1/ C = 0.92 πT +2.080 - 3.26 (n = 12, r² = 0.794, s = 0.314). What sort of substituent is likely to result in high mutagenic activity? Suggest 2 substituents that meet this criterion. (5 marks) Continued... 5
← +52 JQ T © ΑΙ SECTION C (SEEN Part of Exam Paper) Answer ONE question only in this section (Each question is worth 20 marks) 5. Answer ALL parts of this question. (a) The following QSAR equation was derived for the pesticide activity of structure Q5(a). Explain what the various terms mean and whether the equation is a valid one. Identify what kind of substituents would be best for activity. (b) (c) Q5(a) log 1/C = 1.08LogP + 2.41 σx-0.072 MRX +5.25 (n=16, r² = 0.840, s = 0.59) (10 marks) A QSAR equation for the anticonvulsant (Q5(b)) was derived as follows: Q5(b) log 1/C = 0.92 TTX - 0.34 TTX² + 3.18 (n=15, r² = 0.902, s = 0.09, πTo = 1.35) What conclusions can you draw from this equation in terms of the influence of the substituent hydrophobicity constant TT ? Which of the following X substituents would you expect to have the greatest activity CF3 (π 1.16), H (T = 0.00), or CH3 (πT = 0.52),? (5 marks) The following QSAR equation is related to the mutagenic activity of a series of nitrosoamines; log 1/ C = 0.92 πT +2.080 - 3.26 (n = 12, r² = 0.794, s = 0.314). What sort of substituent is likely to result in high mutagenic activity? Suggest 2 substituents that meet this criterion. (5 marks) Continued... 5
Chemistry
10th Edition
ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Chapter1: Chemical Foundations
Section: Chapter Questions
Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...
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Transcribed Image Text:← +52
JQ T ©
ΑΙ
SECTION C (SEEN Part of Exam Paper)
Answer ONE question only in this section (Each question is worth 20 marks)
5. Answer ALL parts of this question.
(a)
The following QSAR equation was derived for the pesticide activity of
structure Q5(a). Explain what the various terms mean and whether the
equation is a valid one. Identify what kind of substituents would be best
for activity.
(b)
(c)
Q5(a)
log 1/C = 1.08LogP + 2.41 σx-0.072 MRX +5.25
(n=16, r² = 0.840, s = 0.59)
(10 marks)
A QSAR equation for the anticonvulsant (Q5(b)) was derived as
follows:
Q5(b)
log 1/C = 0.92 TTX - 0.34 TTX² + 3.18
(n=15, r² = 0.902, s = 0.09, πTo = 1.35)
What conclusions can you draw from this equation in terms of the
influence of the substituent hydrophobicity constant TT ? Which of the
following X substituents would you expect to have the greatest activity
CF3 (π 1.16), H (T = 0.00), or CH3 (πT = 0.52),?
(5 marks)
The following QSAR equation is related to the mutagenic activity of a
series of nitrosoamines;
log 1/ C = 0.92 πT +2.080 - 3.26 (n = 12, r² = 0.794, s = 0.314).
What sort of substituent is likely to result in high mutagenic activity?
Suggest 2 substituents that meet this criterion.
(5 marks)
Continued...
5
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