HSQC = Heteronuclear Single-Quantum Coherence. ) in order to maximize the coherence transfer from I to S
|
|
- Anis Woods
- 5 years ago
- Views:
Transcription
1 HSQC = Heteronuclear Single-Quantum Coherence The pulse sequence: Consider: Ω I, Ω S and J IS τ = 1/(4J IS in order to maximize the coherence transfer from I to S The overal pulse sequence can be subdivided as follows: INEPT + echo + INEPT. The first INEPT is to improve the sensitivity of the low magnetogyric ratio nuclei ( 15 N, 13 C. During the defocused delay (echo,, only Ω S evolves (coupling is refocused. The final INEPT-type unit is to perform inverse detection (observing the frequency of the low magnetogyric ratio nuclei as 1 H magnetization.
2 σ[eq.] I z Ĥ = π/2 (Î x x σ[0] -I y this is a homo type echo: τ and τ πτ Ĥ = πs x τ and τ πτ the chemical shift is refocused but coupling evolves, thus the effective Hem(s are: π2τ, and Ĥ = πs x σ[0] π2τ Ĥ = πs x -I y -I y cos(πj IS 2τ +2I x sin(πj IS 2τ +I y cos(πj IS 2τ +2I x sin(πj IS 2τ +I y cos(πj IS 2τ -2I x sin(πj IS 2τ
3 +I y cos(πj IS 2τ -2I x sin(πj IS 2τ τ = 1/(4J IS in order to maximise the coherence transfer from spin I to S if τ = 1/(4J IS, then after 2τ sin(πj IS 2τ = 1 and cos(πj IS 2τ = 0 Ĥ = π/2î y Ĥ = π/2s x [1/2 ] π[1/2 ] [1/2 ] π[1/2 ] Hem = -2I x (anti-phased magnet. on I +2I z -2I z (anti-phased magnet. on S
4 Coupling is refocused during the hetero type echo and the chemical shift of I doesn t evolve. Hem = Ĥ = π/2î x Ĥ = π/2s x -2I z +2I z +2I z cos -2I z S x sin -2I y cos +2I y S x sin -2I y cos +2I y S x sin this is a homo type echo: τ and τ πτ Ĥ = πs x τ and τ πτ the chemical shift is refocused so the effective Hem(s areĥ= 2Î z π2τ, πi x and πs x
5 so: -2I y cos +2I y S x sin (multiple quantum term π2τ -2I y cos cos(πj IS 2τ +I x cos sin(πj IS 2τ Ĥ = πs x -2I z cos cos(πj IS 2τ +I x cos sin(πj IS 2τ +2I z cos cos(πj IS 2τ +I x cos sin(πj IS 2τ τ = 1/(4J IS to maximise the coherence transfer from I to S (if τ = 1/(4J IS then after 2τ sin(πj IS 2τ = 1 and cos(πj IS 2τ = 0 So before ACQ the following term remains: +I x cos ACQ [ ] and [ ] π[ ] +I x cos cos cos(πj IS +2I y cos cos sin(πj IS +I y cos sin cos(πj IS -2I x cos sin sin(πj IS
6 memo 1: put the receiver on x therefore only the single x term remains : +I x cos sin cos(πj IS memo 2: sin(acos(b = 1/2[sin(A+B+sin(A-B] therefore: -1/2I x cos [+sin{ +πj IS }+ sin{ πj IS }] the following term can be found - I x [ ] at Ω I, Ω S if one sets the phase that cos is absorptive (a in sin is absorptive (d in I x [ +a.. +a..] at Ω I, Ω S Singulet in F1 and the in phased doublet in F2. ( 1,1 J[H,N] Hz, 1,1 J[H,C] 150 Hz if we decouple during ( π[ ] is not active then the spectrum is I x [ +a ] at Ω I, Ω S
7 Heteronukleáris egyszeres-kvantum koherencia spektrum HSQC = Heteronuclear Single-Quantum Coherence 1,1 J~Hz H z Ω N -2H z N y +2H z N y cos(ω N H x cos(ω N H x cos(ω N cos(ω H Ω H
8 HSQC-SE = Heteronuclear Single-Quantum Coherence with sensitivity enhancement τ τ τ τ -/+H y cos(ω N +H x sin(ω N 1 H dec 13 C H z INEPT: Frequency labeling: H z N y cos(ω N H z N x cos(ω N Both anti-phase N from -H y coherence is transferred to the less sensitive nuclei resulting in anti-phase coherence on N: H z N y coherences are to be selected REVERSE INEPT: from H z N y to ±H x and form H z N x to H y N x Both coherence pathways are considered SE module: -/+H y cos(ω N cos(ω H -H x sin(ω N sin(ω H from +/-H x to -/+H y form H y N x to H x (phase modulated signal with the contribution of both coh. trans. pathways: gain a factor of 2. F.J.M van de Ven Palmer et al. J.Magn.Reson. 1991, 93, Cavanagh & Rance J.Magn.Reson. 19, 88, 72-85
9 HSQC = Heteronuclear Single-Quantum Coherence Monitoring H 2 O along the sequence: +z y y y x y y x z +z 1 H 15 N φ 2 dec G z What is happanining with the balk water during the HSQC pulses? +I z ( x I y ( x +I y ( y +I y ( x I y ( x I z ( x +I z Water before acquisition is aligned along +z. Thus, most of the water is not detected during. Unfortunately, that part of the water which is not parallel to z will be detected as residual water. The latter amount of water should be minimized, (dynamic range problem of the detectors.
10 1 H- 13 C HSQC-SE: Destroy all residual 13 C z : Put it into the transverse plane and defocused by grad. INEPT: from H z generates +2H z C y Labeling by 13 C cĥ shift: from 2H z C y generates 2H z C y cos(ω N REVERSE INEPT: from H z C y to ±H x and form H z C x to H y C x (in a no-se version the latter path is ignored SE module: from +/-H x to -/+H y form H y C x to H x (phase modulated signal with the contribution of both coh. trans. pathways: gain a factor of 2. τ τ τ τ 1 H dec 13 C G z Grad.7: before converting -2H z C z into -2H z C y defocuses any other transverse coherences present (kills everything not coupled to 13 C Coh. selection by grad.: 2H z C x and 2H z C y are selected (SE experiment only. ( refocuses evolution occurring during the long gradient 3: a hetero nuclear echo. Coh. selection by grad.: refocuses on proton (H y what was defocused on carbon (2H z C x.
12 Understanding Solution State NMR Experiments: Product Operator Formalism
12 Understanding Solution State NMR Experiments: Product Operator Formalism As we saw in the brief introduction in the previous chapter, solution state NMR pulse sequences consist of building blocks. Product
More informationNOESY = Nuclear Overhauser Effect SpectroscopY
NOESY = Nuclear Overhauser Effect SpectroscopY The pulse sequence: 90 x - t 1-90 x - t mix. - 90 x - t 2 Memo 1: in a NOE type experiment both magnetization (I z and S z ) and the zero quantum coherence
More informationSolutions manual for Understanding NMR spectroscopy second edition
Solutions manual for Understanding NMR spectroscopy second edition James Keeler and Andrew J. Pell University of Cambridge, Department of Chemistry (a) (b) Ω Ω 2 Ω 2 Ω ω ω 2 Version 2.0 James Keeler and
More informationTriple Resonance Experiments For Proteins
Triple Resonance Experiments For Proteins Limitations of homonuclear ( 1 H) experiments for proteins -the utility of homonuclear methods drops quickly with mass (~10 kda) -severe spectral degeneracy -decreased
More informationSpin echo. ½πI x -t -πi y -t
y Spin echo ½πI - -πi y - : as needed, no correlaed wih 1/J. Funcions: 1. refocusing; 2. decoupling. Chemical shif evoluion is refocused by he spin-echo. Heeronuclear J-couplings evoluion are refocused
More informationNMR Spectroscopy: A Quantum Phenomena
NMR Spectroscopy: A Quantum Phenomena Pascale Legault Département de Biochimie Université de Montréal Outline 1) Energy Diagrams and Vector Diagrams 2) Simple 1D Spectra 3) Beyond Simple 1D Spectra 4)
More information4 DQF-COSY, Relayed-COSY, TOCSY Gerd Gemmecker, 1999
44 4 DQF-COSY, Relayed-COSY, TOCSY Gerd Gemmecker, 1999 Double-quantum filtered COSY The phase problem of normal COSY can be circumvented by the DQF-COSY, using the MQC term generated by the second 90
More informationProtein NMR. Part III. (let s start by reviewing some of the things we have learned already)
Protein NMR Part III (let s start by reviewing some of the things we have learned already) 1. Magnetization Transfer Magnetization transfer through space > NOE Magnetization transfer through bonds > J-coupling
More informationNMR course at the FMP: NMR of organic compounds and small biomolecules - III-
NMR course at the FMP: NMR of organic compounds and small biomolecules - III- 23.03.2009 The program 2/82 The product operator formalism (the PROF ) Basic principles Building blocks Two-dimensional NMR:
More informationDQF-COSY = Double-Quantum Filtered-COrrelated SpectroscopY
DQF-COSY = Double-Quantum Filtered-COrrelated SpectroscopY The pulse sequence: 90 - - 90 - - 90 x - t 2 Consider:, and J I,S [eq.] Ĥ = /2 (Î x + Š x ) 90 x I z and S z [0] -I y and -S y Ĥ = Î z ( ) + Š
More informationCHEM / BCMB 4190/6190/8189. Introductory NMR. Lecture 10
CHEM / BCMB 490/690/889 Introductory NMR Lecture 0 - - CHEM 490/690 Spin-Echo The spin-echo pulse sequence: 90 - τ - 80 - τ(echo) Spins echoes are widely used as part of larger pulse sequence to refocus
More informationHigh-Resolutio n NMR Techniques i n Organic Chemistry TIMOTHY D W CLARIDGE
High-Resolutio n NMR Techniques i n Organic Chemistry TIMOTHY D W CLARIDGE Foreword Preface Acknowledgements V VI I X Chapter 1. Introduction 1.1. The development of high-resolution NMR 1 1.2. Modern
More information5 Heteronuclear Correlation Spectroscopy
61 5 Heteronuclear Correlation Spectroscopy H,C-COSY We will generally discuss heteronuclear correlation spectroscopy for X = 13 C (in natural abundance!), since this is by far the most widely used application.
More informationInverse Detection in Multinuclear NMR
Inverse Detection in Multinuclear NMR The HETCOR experiment is an example of a directly-detected heteronuclear experiment. The timing diagram for the most basic form of the HETCOR pulse sequence is shown
More informationMidterm Exam: CHEM/BCMB 8190 (148 points) Friday, 3 March, 2017
Midterm Exam: CHEM/BCMB 8190 (148 points) Friday, 3 March, 2017 INSTRUCTIONS: You will have 50 minute to work on this exam. You can use any notes or books that you bring with you to assist you in answering
More informationPROTEIN NMR SPECTROSCOPY
List of Figures List of Tables xvii xxvi 1. NMR SPECTROSCOPY 1 1.1 Introduction to NMR Spectroscopy 2 1.2 One Dimensional NMR Spectroscopy 3 1.2.1 Classical Description of NMR Spectroscopy 3 1.2.2 Nuclear
More informationResidual Dipolar Couplings: Measurements and Applications to Biomolecular Studies
Residual Dipolar Couplings: Measurements and Applications to Biomolecular Studies Weidong Hu Lincong Wang Abstract Since the first successful demonstration of the tunable alignment of ubiquitin in an anisotropic
More informationHeteronuclear correlation - HETCOR
Heteronuclear correlation - HETCOR Last time we saw how the second dimension comes to be, and we analed how the COSY eperiment (homonuclear correlation) works. In a similar fashion we can perform a 2D
More informationPhysikalische Chemie IV (Magnetische Resonanz) HS Solution Set 2. Hand out: Hand in:
Solution Set Hand out:.. Hand in:.. Repetition. The magnetization moves adiabatically during the application of an r.f. pulse if it is always aligned along the effective field axis. This behaviour is observed
More informationDevelopment of a method for the measurement of long-range 13 C 1 H coupling constants from HMBC spectra
Development of a method for the measurement of long-range 13 C 1 H coupling constants from HMBC spectra Richard A E Edden and James Keeler University of Cambridge, Department of Chemistry, Lensfield Rd,
More informationBCMB/CHEM Spin Operators and QM Applications
BCMB/CHEM 8190 Spin Operators and QM Applications Quantum Description of NMR Experiments Not all experiments can be described by the Bloch equations A quantum description is necessary for understanding
More informationGeneral NMR basics. Solid State NMR workshop 2011: An introduction to Solid State NMR spectroscopy. # nuclei
: An introduction to Solid State NMR spectroscopy Dr. Susanne Causemann (Solid State NMR specialist/ researcher) Interaction between nuclear spins and applied magnetic fields B 0 application of a static
More informationPolarization transfer
Polarization transfer So far we have dealt vectors (magnetizations) that are proportional to the sensitivit of the nuclei we are studing. In multiple pulse eperiments, were we are doing man things to a
More informationIntroduction to NMR Product Operators. C. Griesinger. Max Planck Institute for Biophysical Chemistry. Am Faßberg 11. D Göttingen.
ntroduction to NMR Product Operato C. Griesinger Max Planck nstitute for Biophysical Chemistry Am Faßberg 11 D-3777 Göttingen Germany cigr@nmr.mpibpc.mpg.de http://goenmr.de EMBO Coue Heidelberg Sept.
More informationLecture 6. A More Quantitative Description of Pulsed NMR: Product Operator Formalism.
Lecture 6. A More Quantitative Description of Pulsed NMR: Product Operator Formalism. So far we ve been describing NMR phenomena using vectors, with a minimal of mathematics. Sure, we discussed the Bloch
More informationPhysics of MR Image Acquisition
Physics of MR Image Acquisition HST-583, Fall 2002 Review: -MRI: Overview - MRI: Spatial Encoding MRI Contrast: Basic sequences - Gradient Echo - Spin Echo - Inversion Recovery : Functional Magnetic Resonance
More informationBiochemistry 530 NMR Theory and Practice. Gabriele Varani Department of Biochemistry and Department of Chemistry University of Washington
Biochemistry 530 NMR Theory and Practice Gabriele Varani Department of Biochemistry and Department of Chemistry University of Washington 1D spectra contain structural information.. but is hard to extract:
More informationNMRis the most valuable spectroscopic technique for organic chemists because it maps the carbon-hydrogen framework of a molecule.
Chapter 13: Nuclear magnetic resonance spectroscopy NMRis the most valuable spectroscopic technique for organic chemists because it maps the carbon-hydrogen framework of a molecule. 13.2 The nature of
More informationChemistry 431. Lecture 23
Chemistry 431 Lecture 23 Introduction The Larmor Frequency The Bloch Equations Measuring T 1 : Inversion Recovery Measuring T 2 : the Spin Echo NC State University NMR spectroscopy The Nuclear Magnetic
More informationFundamental MRI Principles Module 2 N. Nuclear Magnetic Resonance. X-ray. MRI Hydrogen Protons. Page 1. Electrons
Fundamental MRI Principles Module 2 N S 1 Nuclear Magnetic Resonance There are three main subatomic particles: protons positively charged neutrons no significant charge electrons negatively charged Protons
More informationSpin Dynamics Basics of Nuclear Magnetic Resonance. Malcolm H. Levitt
Spin Dynamics Basics of Nuclear Magnetic Resonance Second edition Malcolm H. Levitt The University of Southampton, UK John Wiley &. Sons, Ltd Preface xxi Preface to the First Edition xxiii Introduction
More informationBasic One- and Two-Dimensional NMR Spectroscopy
Horst Friebolin Basic One- and Two-Dimensional NMR Spectroscopy Third Revised Edition Translated by Jack K. Becconsall WILEY-VCH Weinheim New York Chichester Brisbane Singapore Toronto Contents XV 1 The
More informationNMR course at the FMP: NMR of organic compounds and small biomolecules - II -
NMR course at the FMP: NMR of organic compounds and small biomolecules - II - 16.03.2009 The program 2/76 CW vs. FT NMR What is a pulse? Vectormodel Water-flip-back 3/76 CW vs. FT CW vs. FT 4/76 Two methods
More informationT 1, T 2, NOE (reminder)
T 1, T 2, NOE (reminder) T 1 is the time constant for longitudinal relaxation - the process of re-establishing the Boltzmann distribution of the energy level populations of the system following perturbation
More informationBiochemistry 530 NMR Theory and Practice
Biochemistry 530 NMR Theory and Practice David Baker Autumn Quarter 2014 Slides Courtesy of Gabriele Varani Recommended NMR Textbooks Derome, A. E. (1987) Modern NMR Techniques for Chemistry Research,
More informationBiochemistry 530 NMR Theory and Practice
Biochemistry 530 NMR Theory and Practice Gabriele Varani Department of Biochemistry and Department of Chemistry University of Washington Lecturer: Gabriele Varani Biochemistry and Chemistry Room J479 and
More informationDaniel O. Cicero, Gaetano Barbato, and Renzo Bazzo 1
Journal of Magnetic Resonance 48, 209 23 (200) doi:0.006/jmre.2000.2234, available online at http://www.idealibrary.com on COMMUNICATIONS Sensitivity Enhancement of a Two-Dimensional Experiment for the
More informationChem 325 NMR Intro. The Electromagnetic Spectrum. Physical properties, chemical properties, formulas Shedding real light on molecular structure:
Physical properties, chemical properties, formulas Shedding real light on molecular structure: Wavelength Frequency ν Wavelength λ Frequency ν Velocity c = 2.998 10 8 m s -1 The Electromagnetic Spectrum
More information14. Coherence Flow Networks
14. Coherence Flow Networks A popular approach to the description of NMR pulse sequences comes from a simple vector model 1,2 in which the motion of the spins subjected to RF pulses and chemical shifts
More information4 Spin-echo, Spin-echo Double Resonance (SEDOR) and Rotational-echo Double Resonance (REDOR) applied on polymer blends
4 Spin-echo, Spin-echo ouble Resonance (SEOR and Rotational-echo ouble Resonance (REOR applied on polymer blends The next logical step after analyzing and concluding upon the results of proton transversal
More informationPrinciples of Nuclear Magnetic Resonance in One and Two Dimensions
Principles of Nuclear Magnetic Resonance in One and Two Dimensions Richard R. Ernst, Geoffrey Bodenhausen, and Alexander Wokaun Laboratorium für Physikalische Chemie Eidgenössische Technische Hochschule
More informationONE AND TWO DIMENSIONAL NMR SPECTROSCOPY
ONE AND TWO DIMENSIONAL NMR SPECTROSCOPY Atta-ur-Rahman H.E.J. Research Institute of Chemistry, University ofkarachi, Karachi 32, Pakistan ELSEVIER Amsterdam Oxford New York Tokyo 1989 IX CONTENTS Chapter-l
More informationBiophysical Chemistry: NMR Spectroscopy
Relaxation & Multidimensional Spectrocopy Vrije Universiteit Brussel 9th December 2011 Outline 1 Relaxation 2 Principles 3 Outline 1 Relaxation 2 Principles 3 Establishment of Thermal Equilibrium As previously
More informationMagnetisation Transfer Schemes
Magnetisation Transfer Schemes P. K. Madhu Department of Chemical Sciences Tata Institute of Fundamental Research Homi Bhabha Road Colaba Mumbai 400 005, India Sensitivity of NMR Spectroscopy S/N Nγ exc
More informationNumerical Methods for Pulse Sequence Optimisation
Numerical Methods for Pulse Sequence Optimisation Lyndon Emsley, Laboratoire de Chimie, Ecole Normale Supérieure de Lyon, & Institut Universitaire de France ECOLE NORMALE SUPERIEURE DE LYON IUF Dances
More informationThe Deutsch-Josza Algorithm in NMR
December 20, 2010 Matteo Biondi, Thomas Hasler Introduction Algorithm presented in 1992 by Deutsch and Josza First implementation in 1998 on NMR system: - Jones, JA; Mosca M; et al. of a quantum algorithm
More informationCorrection Gradients. Nov7, Reference: Handbook of pulse sequence
Correction Gradients Nov7, 2005 Reference: Handbook of pulse sequence Correction Gradients 1. Concomitant-Field Correction Gradients 2. Crusher Gradients 3. Eddy-Current Compensation 4. Spoiler Gradients
More informationCOSY type experiments exploring through-bond homonuclear correlations
COSY type experiments exploring through-bond homonuclear correlations Assistant Professor Kenneth Kongstad Bioanalytical Chemistry and Metabolomics Research Group Section for Natural Products and Peptides
More information3 Chemical exchange and the McConnell Equations
3 Chemical exchange and the McConnell Equations NMR is a technique which is well suited to study dynamic processes, such as the rates of chemical reactions. The time window which can be investigated in
More informationConcepts on protein triple resonance experiments
2005 NMR User Training Course National Program for Genomic Medicine igh-field NMR Core Facility, The Genomic Research Center, Academia Sinica 03/30/2005 Course andout Concepts on protein triple resonance
More informationThree-Dimensional Triple-Resonance NMR of 13C / 15N-Enriched Proteins Using Constant-Time Evolution
JOURNAL OF MAGNETIC RESONANCE 94,209-2 13 ( 199 1) Three-Dimensional Triple-Resonance NMR of 13C / 15N-Enriched Proteins Using Constant-Time Evolution ROBERTPOWERS, ANGELA M. GRONENBORN,G.MARIUSCLORE,ANDADBAX
More informationFundamental MRI Principles Module Two
Fundamental MRI Principles Module Two 1 Nuclear Magnetic Resonance There are three main subatomic particles: protons neutrons electrons positively charged no significant charge negatively charged Protons
More informationFiltered/edited NOESY spectra
Filtered/edited NOESY spectra NMR Seminar HS 207 Nina Ripin 22..7 Overview NMR of biomolecular complexes Problems and Solutions Filtered/edited nomenclature Experimental elements NOESY vs filtered pulse
More informationExam 8N080 - Introduction to MRI
Exam 8N080 - Introduction to MRI Friday April 10 2015, 18.00-21.00 h For this exam you may use an ordinary calculator (not a graphical one). In total there are 5 assignments and a total of 50 points can
More informationThe Virtual NMR Spectrometer: A Computer Program for Efficient Simulation of NMR Experiments Involving Pulsed Field Gradients
Journal of Magnetic Resonance 145, 262 275 (2000) doi:10.1006/jmre.2000.2108, available online at http://www.idealibrary.com on The Virtual NMR Spectrometer: A Computer Program for Efficient Simulation
More information4. Basic Segments of Pulse Sequences
4. Basic egments of Pulse equences The first applications of 2D NMR for studies of proteins in aqueous solution used only very few pulse sequences [5 7]. Today, a vast number of experimental schemes exist
More informationThe NMR Inverse Imaging Problem
The NMR Inverse Imaging Problem Nuclear Magnetic Resonance Protons and Neutrons have intrinsic angular momentum Atoms with an odd number of proton and/or odd number of neutrons have a net magnetic moment=>
More informationFinal Exam: CHEM/BCMB 4190/6190/8189 (276 pts) Thursday, 15 December, 2005
Final Eam: CHEM/BCMB 4190/6190/8189 (276 pts) Thursda, 15 December, 2005 1). The two-proton spin sstem at right gives rise to the 1 H NMR spectra shown (spectra 1 and 2, below) as the ratio of /J changes
More informationBASIC NMR HANDBOOK Written by M. A. Eastman Copyright 1997, 2001, 2013, 2015, 2018
BASIC NMR HANDBOOK Written by M. A. Eastman Copyright 1997, 2001, 2013, 2015, 2018 Basic NMR Handbook Table of Contents: Preface ii viii PART 1 Chapter 1: Introduction to NMR 1 Why Study NMR? 1 The Magnetic
More informationWe have seen that the total magnetic moment or magnetization, M, of a sample of nuclear spins is the sum of the nuclear moments and is given by:
Bloch Equations We have seen that the total magnetic moment or magnetization, M, of a sample of nuclear spins is the sum of the nuclear moments and is given by: M = [] µ i i In terms of the total spin
More informationBiochemistry 530 NMR Theory and Practice
Biochemistry 530 NMR Theory and Practice Gabriele Varani Department of Biochemistry and Department of Chemistry University of Washington 1D spectra contain structural information.. but is hard to extract:
More informationSpin-spin coupling I Ravinder Reddy
Spin-spin coupling I Ravinder Reddy Spin-interactions External interactions Magnetic field Bo, RF field B1 Internal Interactions Molecular motions Exchange Chemical shifts J-coupling Spin Diffusion Dipolar
More informationCross Polarization 53 53
Cross Polarization 53 Why don t we normally detect protons in the solid-state BPTI Strong couplings between protons ( >20kHz) Homogeneous interaction Not readily averaged at moderate spinning speeds Rhodopsin
More informationTable of Contents. Chapter 1 lntroduction and Practical Considerations of Two-Dimensional. Chapter 2 Establishing Proton-Proton Connectivities
Table of Contents Chapter 1 lntroduction and Practical Considerations of Two-Dimensional NMR Spectroscopy lntroduction Fundamental Segments of Two-Dimensional NMR Experiments Preparation Evolution Mixing
More informationFile: {ELS_REV}Cavanagh X/Revises/Prelims.3d Creator: / Date/Time: /9:29pm Page: 1/26 PREFACE
PREFACE The second edition of Protein NMR Spectroscopy: Principles and Practice reflects the continued rapid pace of development of biomolecular NMR spectroscopy since the original publication in 1996.
More informationBiophysical Chemistry: NMR Spectroscopy
Spin Dynamics & Vrije Universiteit Brussel 25th November 2011 Outline 1 Pulse/Fourier Transform NMR Thermal Equilibrium Effect of RF Pulses The Fourier Transform 2 Symmetric Exchange Between Two Sites
More informationNMR spectroscopy. Matti Hotokka Physical Chemistry Åbo Akademi University
NMR spectroscopy Matti Hotokka Physical Chemistry Åbo Akademi University Angular momentum Quantum numbers L and m (general case) The vector precesses Nuclear spin The quantum numbers are I and m Quantum
More informationLecture #6 NMR in Hilbert Space
Lecture #6 NMR in Hilbert Space Topics Review of spin operators Single spin in a magnetic field: longitudinal and transverse magnetiation Ensemble of spins in a magnetic field RF excitation Handouts and
More informationLecture 9. Heteronuclear 3D NMR Spectroscopy.
Lecture 9. eteronuclear 3D NMR Spectroscopy. The isotope-editing experiments discussed in the last lecture provide the conceptual framework for heteronuclear 3D NMR experiments. These experiments are the
More informationQuantum technologies based on nitrogen-vacancy centers in diamond: towards applications in (quantum) biology
Quantum technologies based on nitrogen-vacancy centers in diamond: towards applications in (quantum) biology 3 E 532 nm 1 2δω 1 Δ ESR 0 1 A 1 3 A 2 Microwaves 532 nm polarization Pulse sequence detection
More informationRelaxation, Multi pulse Experiments and 2D NMR
Relaxation, Multi pulse Experiments and 2D NMR To Do s Read Chapter 6 Complete the end of chapter problems; 6 1, 6 2, 6 3, 6 5, 6 9 and 6 10. Read Chapter 15 and do as many problems as you can. Relaxation
More informatione 2m p c I, (22.1) = g N β p I(I +1), (22.2) = erg/gauss. (22.3)
Chemistry 26 Molecular Spectra & Molecular Structure Week # 7 Nuclear Magnetic Resonance Spectroscopy Along with infrared spectroscopy, nuclear magnetic resonance (NMR) is the most important method available
More informationIntroduction solution NMR
2 NMR journey Introduction solution NMR Alexandre Bonvin Bijvoet Center for Biomolecular Research with thanks to Dr. Klaartje Houben EMBO Global Exchange course, IHEP, Beijing April 28 - May 5, 20 3 Topics
More informationK-space. Spin-Warp Pulse Sequence. At each point in time, the received signal is the Fourier transform of the object s(t) = M( k x
Bioengineering 280A Principles of Biomedical Imaging Fall Quarter 2015 MRI Lecture 4 k (t) = γ 2π k y (t) = γ 2π K-space At each point in time, the received signal is the Fourier transform of the object
More information8 NMR Interactions: Dipolar Coupling
8 NMR Interactions: Dipolar Coupling 8.1 Hamiltonian As discussed in the first lecture, a nucleus with spin I 1/2 has a magnetic moment, µ, associated with it given by µ = γ L. (8.1) If two different nuclear
More informationChapter 7. Nuclear Magnetic Resonance Spectroscopy
Chapter 7 Nuclear Magnetic Resonance Spectroscopy I. Introduction 1924, W. Pauli proposed that certain atomic nuclei have spin and magnetic moment and exposure to magnetic field would lead to energy level
More informationOptimization of 13 C direct detection NMR methods
Journal of Biomolecular NMR 30: 175 179, 2004. 2004 Kluwer Academic Publishers. Printed in the Netherlands. 175 Optimization of 13 C direct detection NMR methods Nobuhisa Shimba a, Helena Kovacs c,alans.stern
More informationMULTIDIMENSIONAL NMR CHARACTERIZATION OF PERFLUORINATED MONOMER AND ITS PRECURSORS. A Thesis. Presented to
MULTIDIMENSIONAL NMR CHARACTERIZATION OF PERFLUORINATED MONOMER AND ITS PRECURSORS A Thesis Presented to The Graduate Faculty of The University of Akron In Partial Fulfillment of the Requirements for the
More informationThe NMR Spectrum - 13 C. NMR Spectroscopy. Spin-Spin Coupling 13 C NMR. A comparison of two 13 C NMR Spectra. H Coupled (undecoupled) H Decoupled
Spin-Spin oupling 13 NMR A comparison of two 13 NMR Spectra 1 oupled (undecoupled) 1 Decoupled 1 Proton Decoupled 13 NMR 6. To simplify the 13 spectrum, and to increase the intensity of the observed signals,
More informationMagnetic Resonance Imaging. Pål Erik Goa Associate Professor in Medical Imaging Dept. of Physics
Magnetic Resonance Imaging Pål Erik Goa Associate Professor in Medical Imaging Dept. of Physics pal.e.goa@ntnu.no 1 Why MRI? X-ray/CT: Great for bone structures and high spatial resolution Not so great
More informationAdiabatic Single Scan Two-Dimensional NMR Spectrocopy
Published on Web 09/13/2003 Adiabatic Single Scan Two-Dimensional NMR Spectrocopy Philippe Pelupessy*, Contribution from the Département de Chimie, associé au CNRS, Ecole Normale Supérieure, 24 rue Lhomond,
More informationCarbon 13 NMR NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY PRINCIPLE AND APPLICATION IN STRUCTURE ELUCIDATION Carbon 13 NMR Professor S. SANKARARAMAN Department of Chemistry Indian Institute of Technology Madras Chennai
More informationProblem Set #6 BioE 326B/Rad 226B
. Chemical shift anisotropy Problem Set #6 BioE 26B/Rad 226B 2. Scalar relaxation of the 2 nd kind. 0 imaging 4. NMRD curves Chemical Shift Anisotropy The Hamiltonian a single-spin system in a magnetic
More informationEE225E/BIOE265 Spring 2013 Principles of MRI. Assignment 9 Solutions. Due April 29th, 2013
EE5E/BIOE65 Spring 013 Principles of MRI Miki Lustig This is the last homework in class. Enjoy it. Assignment 9 Solutions Due April 9th, 013 1) In class when we presented the spin-echo saturation recovery
More information8.2 The Nuclear Overhauser Effect
8.2 The Nuclear Overhauser Effect Copyright Hans J. Reich 2016 All Rights Reserved University of Wisconsin An important consequence of DD relaxation is the Nuclear Overhauser Effect, which can be used
More informationDetection of quadrupolar nuclei by ultrafast 2D-NMR: exploring the case of deuterated analytes aligned in chiral oriented solvents
Electronic Supplementary Material (ESI) for Please ChemComm. do not adjust margins This journal is The Royal Society of Chemistry 2015 Electronic Supplementary Information Detection of quadrupolar nuclei
More information3D NMR 3D NMR 3D NMR. Visualising 3D NMR spectra. strip plots. preparation mixing mixing t1 t2 t3 I S T I
3D NMR 3D NMR Chris Waudby c.waudby@ucl.ac.uk 3D NMR Visualising 3D NMR spectra preparation mixing mixing t1 t2 t3 I S T I 2 indirect dimensions, independently incremented evolution times Much longer acquisition
More informationIntroduction to MRI Acquisition
Introduction to MRI Acquisition James Meakin FMRIB Physics Group FSL Course, Bristol, September 2012 1 What are we trying to achieve? 2 What are we trying to achieve? Informed decision making: Protocols
More informationNuclear Magnetic Resonance Imaging
Nuclear Magnetic Resonance Imaging Jeffrey A. Fessler EECS Department The University of Michigan NSS-MIC: Fundamentals of Medical Imaging Oct. 20, 2003 NMR-0 Background Basic physics 4 magnetic fields
More informationNMR in Medicine and Biology
NMR in Medicine and Biology http://en.wikipedia.org/wiki/nmr_spectroscopy MRI- Magnetic Resonance Imaging (water) In-vivo spectroscopy (metabolites) Solid-state t NMR (large structures) t Solution NMR
More informationA Thesis. Presented to. The Graduate Faculty of The University of Akron. In Partial Fulfillment. of the Requirements for the Degree.
19 F DOSY DIFFUSION NMR SPECTROSCOPY OF FLUOROPOLYMERS A Thesis Presented to The Graduate Faculty of The University of Akron In Partial Fulfillment of the Requirements for the Degree Master of Science
More informationMaster s Thesis. Exploitation of Structure for Enhanced Reconstruction of Multidimensional NMR Spectra
석사학위논문 Master s Thesis 스펙트럼분포의구조를이용한고해상도다차원 NMR 분광분석기법 Exploitation of Structure for Enhanced Reconstruction of Multidimensional NMR Spectra Finn Wolfreys 바이오및뇌공학과 Department of Bio and Brain Engineering
More informationDouble-Resonance Experiments
Double-Resonance Eperiments The aim - to simplify complicated spectra by eliminating J-couplings. omonuclear Decoupling A double resonance eperiment is carried out using a second rf source B 2 in addition
More informationPRACTICAL ASPECTS OF NMR RELAXATION STUDIES OF BIOMOLECULAR DYNAMICS
PRACTICAL ASPECTS OF MR RELAXATIO STUDIES OF BIOMOLECULAR DYAMICS Further reading: Can be downloaded from my web page Korzhnev D.E., Billeter M., Arseniev A.S., and Orekhov V. Y., MR Studies of Brownian
More informationSchematic of the COSY Experiment
Schematic of the COSY Experiment 9 o 9 o (d) t 2 (aq) homonuclear COSY But what happens for a heteronuclear experiment? The 9 o pulses will not cover both sets of nuclei, and there would be issues with
More information10.3 NMR Fundamentals
10.3 NMR Fundamentals nuclear spin calculations and examples NMR properties of selected nuclei the nuclear magnetic moment and precession around a magnetic field the spin quantum number and the NMR transition
More informationMeasuring Spin-Lattice Relaxation Time
WJP, PHY381 (2009) Wabash Journal of Physics v4.0, p.1 Measuring Spin-Lattice Relaxation Time L.W. Lupinski, R. Paudel, and M.J. Madsen Department of Physics, Wabash College, Crawfordsville, IN 47933 (Dated:
More informationClassical behavior of magnetic dipole vector. P. J. Grandinetti
Classical behavior of magnetic dipole vector Z μ Y X Z μ Y X Quantum behavior of magnetic dipole vector Random sample of spin 1/2 nuclei measure μ z μ z = + γ h/2 group μ z = γ h/2 group Quantum behavior
More informationAmino acid type-selective backbone 1 H- 15 N-correlations for Arg and Lys
Journal of Biomolecular NMR, 20: 379 384, 2001. KLUWER/ESCOM 2001 Kluwer Academic Publishers. Printed in the Netherlands. 379 Amino acid type-selective backbone 1 H- 15 N-correlations for Arg and Lys Mario
More informationApodization. Gibbs Artifact. Bioengineering 280A Principles of Biomedical Imaging. Fall Quarter 2013 MRI Lecture 5. rect(k x )
Bioengineering 280A Principles of Biomedical Imaging Fall Quarter 2013 MRI Lecture 5 GE Medical Systems 2003 Gibbs Artifact Apodization rect(k ) Hanning Window h(k )=1/2(1+cos(2πk ) 256256 image 256128
More information