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Department of Science, systems and Models

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Presentation on theme: "Department of Science, systems and Models"— Presentation transcript:

1 Department of Science, systems and Models
Relaxation Spin lattice Spin-spin 2D NMR Department of Science, systems and Models

2 Department of Science, systems and Models
Relaxation times 2D NMR Department of Science, systems and Models

3 Relaxation mechanisms
Dipole-dipole Spin-rotation Anisotropy Scalar coupling constants Paramagnetic molecules Quadrupolar nuclei 2D NMR Department of Science, systems and Models

4 Inversion recovery experiment
2D NMR Department of Science, systems and Models

5 Inversion recovery experiment
2D NMR Department of Science, systems and Models

6 Department of Science, systems and Models
Relaxaton times of H1 2D NMR Department of Science, systems and Models

7 T1 relaxation times of toluene
2D NMR Department of Science, systems and Models

8 Department of Science, systems and Models
Decoupling Decoupling=multiple resonance 2D NMR Department of Science, systems and Models

9 Department of Science, systems and Models
Decoupling of 14N 2D NMR Department of Science, systems and Models

10 Department of Science, systems and Models
Decoupling 2D NMR Department of Science, systems and Models

11 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

12 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

13 Department of Science, systems and Models
Ammonium ion 2D NMR Department of Science, systems and Models

14 14N NMR spectrum of partially deuteriated ammonium ions
2D NMR Department of Science, systems and Models

15 Off-resonance decoupling
2D NMR Department of Science, systems and Models

16 Department of Science, systems and Models
Diff NOE 2D NMR Department of Science, systems and Models

17 Spin-echo experiment with heteronuclear coupling
2D NMR Department of Science, systems and Models

18 Department of Science, systems and Models
NOE effect 2D NMR Department of Science, systems and Models

19 Department of Science, systems and Models
Overhauser effect h = girr/gobs(W2-W0/W0+2W1+W2) 2D NMR Department of Science, systems and Models

20 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

21 Department of Science, systems and Models
No NOE !!!! Negative gamma Intermediate molecular size 2D NMR Department of Science, systems and Models

22 Department of Science, systems and Models
Decoupling schemes 2D NMR Department of Science, systems and Models

23 Department of Science, systems and Models
NOE effects 2D NMR Department of Science, systems and Models

24 Department of Science, systems and Models
Three-spin effect 2D NMR Department of Science, systems and Models

25 Spin echo experiment (remove inhomogeneity)
2D NMR Department of Science, systems and Models

26 Department of Science, systems and Models
Red blood cells (erythrocytes) 2D NMR Department of Science, systems and Models

27 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

28 Department of Science, systems and Models
Hydrolysis of aspirin 2D NMR Department of Science, systems and Models

29 NMR spectrum of asprin in blood
2D NMR Department of Science, systems and Models

30 Department of Science, systems and Models
Cultured astrocytes 2D NMR Department of Science, systems and Models

31 Conversion of acetaldehyde in astrocytes
Acetic acid 2D NMR Department of Science, systems and Models

32 Department of Science, systems and Models
Spectral editing 2D NMR Department of Science, systems and Models

33 Department of Science, systems and Models
CH and CH2 2D NMR Department of Science, systems and Models

34 Attached proton test (APT) for cholesteryl acetate
2D NMR Department of Science, systems and Models

35 Department of Science, systems and Models
Inadequate 2D NMR Department of Science, systems and Models

36 Phase cycling inversion recovery
2D NMR Department of Science, systems and Models

37 Spin-echo experiment with heteronuclear coupling
2D NMR Department of Science, systems and Models

38 Department of Science, systems and Models
Composite pulse 2D NMR Department of Science, systems and Models

39 Department of Science, systems and Models
Shaped pulses 2D NMR Department of Science, systems and Models

40 Text for tomorrow Chapter 6
Problems for tomorrow Handouts problems 8.3 and 8.4 2D NMR Department of Science, systems and Models

41 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

42 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

43 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

44 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

45 Department of Science, systems and Models
2D NMR The gateway to assignment and structure determination of biological molecules 2D NMR Department of Science, systems and Models

46 Department of Science, systems and Models
Nomenclature 2D NMR Department of Science, systems and Models

47 Department of Science, systems and Models
COSY pulse sequence 2D NMR Department of Science, systems and Models

48 Department of Science, systems and Models
COSY experiment 2D NMR Department of Science, systems and Models

49 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

50 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

51 Department of Science, systems and Models
Progressive Regressive parallel 2D NMR Department of Science, systems and Models

52 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

53 Department of Science, systems and Models
COSY of 2D NMR Department of Science, systems and Models

54 COSY of m-dinitobezene
2D NMR Department of Science, systems and Models

55 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

56 Department of Science, systems and Models
COSY 2D NMR Department of Science, systems and Models

57 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

58 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

59 Department of Science, systems and Models
Tripeptide 2D NMR Department of Science, systems and Models

60 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

61 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

62 Department of Science, systems and Models
Assignment 2D NMR Department of Science, systems and Models

63 Department of Science, systems and Models
Artefacts Differences in digital resolution Transverse relaxation Longitudinal relaxation = T1 noise Incorrect pulse lengths 2D NMR Department of Science, systems and Models

64 Department of Science, systems and Models
Remedies Checking pulse lengths Phase cycling Symmetrization Cyclops 2D NMR Department of Science, systems and Models

65 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

66 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

67 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

68 Department of Science, systems and Models
Tilt AMX system 2D NMR Department of Science, systems and Models

69 Department of Science, systems and Models
Phase sensitive Parallel transitions no phase shift Progressive -90 Regressive 90 Magnitude spectra 2D NMR Department of Science, systems and Models

70 Department of Science, systems and Models
DQF COSY 2D NMR Department of Science, systems and Models

71 Department of Science, systems and Models
DFQ COSY 2D NMR Department of Science, systems and Models

72 Department of Science, systems and Models
Phase sensitive COSY 2D NMR Department of Science, systems and Models

73 Department of Science, systems and Models
COSY and Relayed COSY 2D NMR Department of Science, systems and Models

74 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

75 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

76 Department of Science, systems and Models
COSY and TOCSY 2D NMR Department of Science, systems and Models

77 Department of Science, systems and Models
TOCSY 2D NMR Department of Science, systems and Models

78 Department of Science, systems and Models
TOCSY 2D NMR Department of Science, systems and Models

79 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

80 Gradient version of COSY exp.
2D NMR Department of Science, systems and Models

81 Department of Science, systems and Models
COSY and COSY-45 2D NMR Department of Science, systems and Models

82 Department of Science, systems and Models
High resolution 2D NMR Department of Science, systems and Models

83 Department of Science, systems and Models
Expansion 2D NMR Department of Science, systems and Models

84 J-resolved spectroscopy
2D NMR Department of Science, systems and Models

85 Department of Science, systems and Models
Opgaver 2D NMR Department of Science, systems and Models

86 Department of Science, systems and Models
HETCOR pulse sequence 2D NMR Department of Science, systems and Models

87 Department of Science, systems and Models
HETCOR pulse sequence 2D NMR Department of Science, systems and Models

88 Department of Science, systems and Models
HETCOR 2D NMR Department of Science, systems and Models

89 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

90 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

91 Department of Science, systems and Models
HETCOR spectrum 2D NMR Department of Science, systems and Models

92 Department of Science, systems and Models
HMQC pulse sequence 2D NMR Department of Science, systems and Models

93 Department of Science, systems and Models
HMQC spectrum 2D NMR Department of Science, systems and Models

94 Department of Science, systems and Models
BIRD sequence 2D NMR Department of Science, systems and Models

95 Department of Science, systems and Models
COLOC spectrum 2D NMR Department of Science, systems and Models

96 Department of Science, systems and Models
HSQC 2D NMR Department of Science, systems and Models

97 Department of Science, systems and Models
HMBC sequence 2D NMR Department of Science, systems and Models

98 Department of Science, systems and Models
HMBC spectrum 2D NMR Department of Science, systems and Models

99 Department of Science, systems and Models
HMBC 2D NMR Department of Science, systems and Models

100 Department of Science, systems and Models
HSC and H-H-C relayed 2D NMR Department of Science, systems and Models

101 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

102 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

103 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

104 Department of Science, systems and Models
NOESY spectrum 2D NMR Department of Science, systems and Models

105 Department of Science, systems and Models
Peak intensities 2D NMR Department of Science, systems and Models

106 Department of Science, systems and Models
NOE factors 2D NMR Department of Science, systems and Models

107 Department of Science, systems and Models
EXSY 2D NMR Department of Science, systems and Models

108 Department of Science, systems and Models
2D INADEQUATE 2D NMR Department of Science, systems and Models

109 Department of Science, systems and Models
NOESY spectrum 2D NMR Department of Science, systems and Models

110 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

111 Department of Science, systems and Models
Gradients 2D NMR Department of Science, systems and Models

112 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

113 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

114 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

115 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

116 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

117 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

118 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

119 Department of Science, systems and Models
1 1 3 2D NMR Department of Science, systems and Models

120 Department of Science, systems and Models
5 4 3 6 6 2D NMR Department of Science, systems and Models

121 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

122 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

123 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

124 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

125 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

126 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

127 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

128 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

129 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

130 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

131 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

132 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

133 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

134 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

135 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

136 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

137 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

138 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

139 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

140 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

141 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

142 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

143 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

144 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

145 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

146 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

147 Department of Science, systems and Models
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148 Department of Science, systems and Models
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149 Department of Science, systems and Models
2D NMR Department of Science, systems and Models

150 Department of Science, systems and Models
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151 Department of Science, systems and Models
2D NMR Department of Science, systems and Models


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