Experimental Correlation of Substrate Position with Reaction Outcome in the Aliphatic
|
|
- Grace Pauline Bruce
- 5 years ago
- Views:
Transcription
1 Supporting Information for: Experimental Correlation of Substrate Position with Reaction Outcome in the Aliphatic Halogenase, SyrB2 Ryan J. Martinie, a Jovan Livada, a Wei-chen Chang, a Michael T. Green, a Carsten Krebs, a,b J. Martin Bollinger Jr., a,b and Alexey Silakov a* Departments of a Chemistry and b Biochemistry and Molecular Biology, The Pennsylvania State University, University Park, PA, USA. S1
2 SI Figures Figure S1. Representative HYSCORE spectra of NO-Aba (A) and NO-per-d 6 -Aba (B). Signals arising from 14 N, 1 H, and 2 H nuclei are indicated. Experimental conditions given in Figure 4 of the main text. S2
3 Figure S2. Experimental (A) and simulated (B) HYSCORE spectra for NO-4,5-d 5 -Nva. C) Antidiagonal skyline plots with experimental (blue) and simulated (red) spectra overlaid. Red lines in one-dimensional, absorptive EPR spectra (top) indicate magnetic field at which corresponding HYSCORE were collected/simulated. Experimental Conditions (listed from left to right): Magnetic Field: mt, mt, mt, mt; Microwave Frequency: GHz (602.2 mt), GHz (613.5 and mt), GHz (700.0 mt); mt spectrum collected with 200 points in x and y dimensions. Temperature: 4.2, 4.5, 4.2, and 4.0 K. S3
4 Figure S3. Comparison of HYSCORE spectra obtained for A) NO-4,5-d 5 -Nva and C) NO-5-d 3 - Nva. B) Simulated spectra. Red lines in one-dimensional, absorptive EPR spectra (top) indicate magnetic field at which corresponding HYSCORE were collected/simulated. Experimental parameters. NO-4,5-d 5 -Nva (see legend, Figure S4); NO-5-d 3 -Nva: Magnetic Field: mt, mt, mt; Microwave Frequency: GHz (602.2 mt), GHz (613.5 and mt); Temperature: 4.0 K. S4
5 Figure S4. Experimental (A) and simulated (B) HYSCORE spectra for NO-4-d 2 -Nva. C) Antidiagonal skyline plots with experimental (blue) and simulated (red) spectra overlaid. Red lines in one-dimensional, absorptive EPR spectra (top) indicate magnetic field at which corresponding HYSCORE were collected/simulated. Experimental Conditions (listed from left to right): Magnetic Field: mt, mt, mt, mt; Microwave Frequency: GHz (602.2 and mt), GHz (613.5 mt), GHz (950.0 mt); mt spectrum collected with 128 points in x and y dimensions. Temperature: 4.0 K. S5
6 Figure S5. Experimental (A) and simulated (B) HYSCORE spectra for NO-per-d 6 -Aba. C) Antidiagonal skyline plots with experimental (blue) and simulated (red) spectra overlaid. Red lines in one-dimensional, absorptive EPR spectra (top) indicate magnetic field at which corresponding HYSCORE were collected/simulated. Experimental Conditions (listed from left to right): Magnetic Field: mt, mt, mt, mt; Microwave Frequency: GHz (602.2, 611.9, and mt) GHz (950.0 mt); mt spectrum collected with 350 points in the x and y dimension with 24 ns step. Temperature: 4.65 K (602.2, 611.9, and mt), 4.2 K (950.0 mt). S6
7 Figure S6. Experimental (A) and simulated (B) HYSCORE spectra for NO-3-d 2 -Aba. C) Antidiagonal skyline plots with experimental (blue) and simulated (red) spectra overlaid. Red lines in one-dimensional, absorptive EPR spectra (top) indicate magnetic field at which corresponding HYSCORE were collected/simulated. Experimental Conditions (listed from left to right): Magnetic Field: mt, mt, mt, mt; Microwave Frequency: GHz (602.2 and mt), GHz (613.5 and mt); Temperature: 4.0 K. S7
8 Figure S7. Experimental (A) and simulated (B) HYSCORE spectra for NO-per-d 5 -Thr. C) Antidiagonal skyline plots with experimental (blue) and simulated (red) spectra overlaid. Red lines in one-dimensional, absorptive EPR spectra (top) indicate magnetic field at which corresponding HYSCORE were collected/simulated. Experimental Conditions (listed from left to right): Magnetic Field: mt, mt, mt, mt; Microwave Frequency: GHz (602.2, 613.6, and mt) GHz (950.0 mt); mt spectrum collected with 350 points in the x and y dimensions with 24 ns step; Temperature: 4.6 K (602.2, 613.6, and mt), 4.2 K (950.0 mt). S8
9 Figure S8. Experimental (A) and simulated (B) HYSCORE spectra for NO-2,3-d 2 -Thr. C) Antidiagonal skyline plots with experimental (blue) and simulated (red) spectra overlaid. Red lines in one-dimensional, absorptive EPR spectra (top) indicate magnetic field at which corresponding HYSCORE were collected/simulated. Experimental Conditions (listed from left to right): Magnetic Field: mt, mt, mt; Microwave Frequency: GHz; Temperature: 4.0 K. S9
10 Figure S9. Comparison of substrate docking models for Thr with NO displacing the following ligands (relative to the crystal structure): the water ligand (A), the chloride ligand (B), and C1 of 2OG (C). Adapted from ref. 37 in the main text by replacement of the ferryl O-atom with NO, and of acetate with 2-oxo-propionic acid S10
11 Figure S10. EPR pulse sequences employed: A) HYSCORE, B) Matched HYSCORE, C) Spinecho detected EPR (one-dimensional). S11
12 Figure S11. Cartoon representation of anti-diagonal skyline plot construction. A hypothetical HYSCORE spectrum, consisting of four peaks which are split by both hyperfine (A) and quadrupole (Q) interactions. The grey spectrum represents a skyline plot of the analyzed area (shaded grey), which is projected onto the frequency axis (red) to give the final result. For convenience, the projected result is shifted so as to be centered on the Larmor frequency. S12
13 Figure S12. Schematic representation of the model used to determine Fe- 2 H distances from a given hyperfine coupling tensor. S13
14 SI Tables Table S1. Spin Hamiltonian parameters used to simulate HYSCORE spectra. Parentheses indicate uncertainty in the last reported digit, determined by altering the parameter until the fit was deemed unacceptable by visual inspection. Variables are defined in the Materials and Methods. Hyperfine Coupling Quadrupole Coupling T (MHz) ϕ ( ) θ ( ) ψ ( ) K (MHz) ϕ ( ) θ ( ) ψ ( ) η d5-nva 0.40(5) - 58(5) 47(10) 0.035(5) - 51(10) 0(10) - d3-nva 0.40(5) - 58(5) 47(10) 0.035(5) - 51(10) 0(10) - d2-nva 0.28(5) - 75(15) 50(20) 0.025(5) - 65(20) 17(20) -0.5 d6-aba 0.29(4) - 80(10) 40(10) 0.050(5) - 55(10) 7(10) 0.2 d2-aba 0.14(2) - 80(10) 75(10) 0.043(5) - 45(10) 10(10) - d5-thr 0.20(3) - 80(10) 42(10) 0.040(5) - 53(10) 0(10) - d2-thr 0.14(3) - 75(10) 57(10) 0.043(5) - 30(20) 30(20) - Table S2. Geometric parameters obtained based on the hyperfine coupling tensors reported in Table S1. r eff represents the distance obtained from a simple point-dipole approximation, whereas r model represents that obtained from fitting of the hyperfine tensor using multiple dipolar coupling contriburions in an antiferromagnetic coupling model (see Materials and Methods). Parentheses indicate uncertainty in the last reported digit. Hyperfine Coupling r eff (Å) r model (Å) N-Fe-D ( ) d5-nva 3.1(2) 3.4(3) 64(7) d3-nva 3.1(2) 3.4(3) 64(7) d2-nva 3.5(3) 3.7(3) 81(15) d6-aba 3.5(2) 3.7(2) 85(10) d2-aba 4.4(3) 4.7(3) 85(10) d5-thr 3.9(3) 4.2(3) 85(10) d2-thr 4.4(4) 4.7(4) 81(10) S14
Supporting Information for: A Substrate Radical Intermediate in Catalysis by the. Antibiotic Resistance Protein Cfr
Supporting Information for: A Substrate Radical Intermediate in Catalysis by the Antibiotic Resistance Protein Cfr Tyler L. Grove 1, Jovan Livada 1, Erica L. Schwalm 1, Michael T. Green 1, Squire J. Booker
More informationChapter 8 Magnetic Resonance
Chapter 8 Magnetic Resonance 9.1 Electron paramagnetic resonance 9.2 Ferromagnetic resonance 9.3 Nuclear magnetic resonance 9.4 Other resonance methods TCD March 2007 1 A resonance experiment involves
More informationSupplementary Information for. Direct nitration and azidation of aliphatic carbons by an iron-dependent halogenase
Supplementary Information for Direct nitration and azidation of aliphatic carbons by an iron-dependent halogenase Megan L Matthews, Wei-chen Chang, Andrew P Layne, Linde A Miles, Carsten Krebs, J Martin
More informationELECTRON PARAMAGNETIC RESONANCE
ELECTRON PARAMAGNETIC RESONANCE = MAGNETIC RESONANCE TECHNIQUE FOR STUDYING PARAMAGNETIC SYSTEMS i.e. SYSTEMS WITH AT LEAST ONE UNPAIRED ELECTRON Examples of paramagnetic systems Transition-metal complexes
More informationAppendix II - 1. Figure 1: The splitting of the spin states of an unpaired electron
Appendix II - 1 May 2017 Appendix II: Introduction to EPR Spectroscopy There are several general texts on this topic, and this appendix is only intended to give you a brief outline of the Electron Spin
More informationHyperfine interaction
Hyperfine interaction The notion hyperfine interaction (hfi) comes from atomic physics, where it is used for the interaction of the electronic magnetic moment with the nuclear magnetic moment. In magnetic
More informationLast Updated:
Last Updated: 2014 07 30 Generation of the EPR ignal MR and EPR are similar in a way that the amount of absorption energy required to for a transition between atomic or molecular states. pectroscopy generally
More informationA Cu-Zn-Cu-Zn heterometallomacrocycle shows significant antiferromagnetic coupling between paramagnetic centres mediated by diamagnetic metal
Electronic Supplementary Information to A Cu-Zn-Cu-Zn heterometallomacrocycle shows significant antiferromagnetic coupling between paramagnetic centres mediated by diamagnetic metal Elena A. Buvaylo, a
More informationEPR and Mössbauer Spectroscopies
Presymposium Workshop EPR and Mössbauer Spectroscopies Carsten Krebs Department of Chemistry Department of Biochemistry and Molecular Biology The Pennsylvania State University Absorption Spectroscopy Does
More informationSupplementary Material (ESI) for PCCP This journal is the Owner Societies Supporting Information.
Supporting Information. Resolving ligand hyperfine couplings of type I and II Cu(II) in Ascorbate Oxidase by high field pulse EPR correlation spectroscopy Alexey Potapov +, Israel Pecht #, Daniella Goldfarb
More informationScaling up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework
SUPPORTING INFORMATION Scaling up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework Tsutomu Yamabayashi, Matteo Atzori, Lorenzo Tesi, Goulven Cosquer, Fabio Santanni, Marie-Emmanuelle
More informationSupporting Information
Supporting Information Non-Heme Diiron Model Complexes Can Mediate Direct NO Reduction: Mechanistic Insight Into Flavodiiron NO Reductases Hai T. Dong, a Corey J. White, a Bo Zhang, b Carsten Krebs, b
More informationAn introduction to Solid State NMR and its Interactions
An introduction to Solid State NMR and its Interactions From tensor to NMR spectra CECAM Tutorial September 9 Calculation of Solid-State NMR Parameters Using the GIPAW Method Thibault Charpentier - CEA
More informationMössbauer Spectroscopy. Carsten Krebs Department of Chemistry Department of Biochemistry and Molecular Biology The Pennsylvania State University
Mössbauer Spectroscopy Carsten Krebs Department of Chemistry Department of Biochemistry and Molecular Biology The Pennsylvania State University Recommended Literature P. Gütlich, E. Bill, A. X. Trautwein
More informationA Combined Optical and EPR Spectroscopy Study: Azobenzene-Based Biradicals as Reversible Molecular Photoswitches
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2017 A Combined Optical and EPR Spectroscopy Study: Azobenzene-Based Biradicals as Reversible
More informationPulse EPR spectroscopy: ENDOR, ESEEM, DEER
Pulse EPR spectroscopy: ENDOR, ESEEM, DEER Penn State Bioinorganic Workshop May/June 2012 Stefan Stoll, University of Washington, Seattle stst@uw.edu References A. Schweiger, G. Jeschke, Principles of
More informationCONTENTS. 2 CLASSICAL DESCRIPTION 2.1 The resonance phenomenon 2.2 The vector picture for pulse EPR experiments 2.3 Relaxation and the Bloch equations
CONTENTS Preface Acknowledgements Symbols Abbreviations 1 INTRODUCTION 1.1 Scope of pulse EPR 1.2 A short history of pulse EPR 1.3 Examples of Applications 2 CLASSICAL DESCRIPTION 2.1 The resonance phenomenon
More informationObservation of quadrupole helix chirality and its domain structure in DyFe 3 (BO 3 ) 4
Observation of quadrupole helix chirality and its domain structure in DyFe 3 (BO 3 ) 4 T. Usui, Y. Tanaka, H. Nakajima, M. Taguchi, A. Chainani, M. Oura, S. Shin, N. Katayama, H. Sawa, Y. Wakabayashi,
More informationIntroduction to Electron Paramagnetic Resonance Spectroscopy
Introduction to Electron Paramagnetic Resonance Spectroscopy Art van der Est, Department of Chemistry, Brock University St. Catharines, Ontario, Canada 1 EPR Spectroscopy EPR is magnetic resonance on unpaired
More informationESR spectroscopy of catalytic systems - a primer
ESR spectroscopy of catalytic systems - a primer Thomas Risse Fritz-Haber-Institute of Max-Planck Society Department of Chemical Physics Faradayweg 4-6 14195 Berlin T. Risse, 3/22/2005, 1 ESR spectroscopy
More informationElectron spins in nonmagnetic semiconductors
Electron spins in nonmagnetic semiconductors Yuichiro K. Kato Institute of Engineering Innovation, The University of Tokyo Physics of non-interacting spins Optical spin injection and detection Spin manipulation
More informationELECTRONIC SUPPLEMENTARY MATERIAL
ELECTRONIC SUPPLEMENTARY MATERIAL Electronic structure of positive and negative polarons in functionalized dithienylthiazolo[5,4-d]thiazoles: a combined EPR and DFT study Yun Ling, a Sarah Van Mierloo,
More informationLaserunterstützte magnetische Resonanz
Laserunterstützte magnetische Resonanz http://e3.physik.uni-dortmund.de Dieter Suter Magnetische Resonanz Prinzip Die MR mißt Übergänge zwischen unterschiedlichen Spin-Zuständen. Diese werden durch ein
More informationMagnetic Resonance Spectroscopy ( )
Magnetic Resonance Spectroscopy In our discussion of spectroscopy, we have shown that absorption of E.M. radiation occurs on resonance: When the frequency of applied E.M. field matches the energy splitting
More informationSupplementary Information
Supplementary Information I. Sample details In the set of experiments described in the main body, we study an InAs/GaAs QDM in which the QDs are separated by 3 nm of GaAs, 3 nm of Al 0.3 Ga 0.7 As, and
More informationThe Pennsylvania State University. The Graduate School. Eberly College of Science A PULSED EPR INVESTIGATION OF THE HYDROXYL. A Thesis in.
The Pennsylvania State University The Graduate School Eberly College of Science A PULSED EPR INVESTIGATION OF THE HYDROXYL 1 H NUCLEUS OF MYOGLOBIN HYDROXIDE A Thesis in Chemistry by Jovan Livada 2012
More informationESR spectroscopy of catalytic systems - a primer
ESR spectroscopy of catalytic systems - a primer Thomas Risse Fritz-Haber-Institute of Max-Planck Society Department of Chemical Physics Faradayweg 4-6 14195 Berlin T. Risse, 11/6/2007, 1 ESR spectroscopy
More informationLecture 6: Physical Methods II. UV Vis (electronic spectroscopy) Electron Spin Resonance Mossbauer Spectroscopy
Lecture 6: Physical Methods II UV Vis (electronic spectroscopy) Electron Spin Resonance Mossbauer Spectroscopy Physical Methods used in bioinorganic chemistry X ray crystallography X ray absorption (XAS)
More informationSolid-state NMR of spin > 1/2
Solid-state NMR of spin > 1/2 Nuclear spins with I > 1/2 possess an electrical quadrupole moment. Anisotropic Interactions Dipolar Interaction 1 H- 1 H, 1 H- 13 C: typically 50 khz Anisotropy of the chemical
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 informationMossbauer Effect and Spectroscopy. Kishan Sinha Xu Group Department of Physics and Astronomy University of Nebraska-Lincoln
Mossbauer Effect and Spectroscopy Kishan Sinha Xu Group Department of Physics and Astronomy University of Nebraska-Lincoln Emission E R γ-photon E transition hν = E transition - E R Photon does not carry
More informationCytochrome P450 Compound I: Capture, Characterization, and C-H Bond Activation Kinetics
www.sciencemag.org/cgi/content/full/330/6006/933/dc1 Supporting Online Material for Cytochrome P450 Compound I: Capture, Characterization, and C-H Bond Activation Kinetics Jonathan Rittle and Michael T.
More informationStructure Formation as Studied by EPR Spectroscopy: From Simple Solutions to Nanoparticles
Structure Formation as Studied by EPR Spectroscopy: From Simple Solutions to Nanoparticles Dissertation Zur Erlangung des Grades Doktor der Naturwissenschaften im Promotionsfach Chemie am Fachbereich Chemie,
More informationMagnetic Resonance Spectroscopy
INTRODUCTION TO Magnetic Resonance Spectroscopy ESR, NMR, NQR D. N. SATHYANARAYANA Formerly, Chairman Department of Inorganic and Physical Chemistry Indian Institute of Science, Bangalore % I.K. International
More informationStructural insights into the nature of Fe 0 and Fe I. salts by Aryl Grignard reagents.
Supporting Information Structural insights into the nature of Fe 0 and Fe I low-valent species obtained upon reduction of Iron salts by Aryl Grignard reagents. Martin Clémancey, Thibault Cantat, Geneviève
More informationInorganic Spectroscopic and Structural Methods
Inorganic Spectroscopic and Structural Methods Electromagnetic spectrum has enormous range of energies. Wide variety of techniques based on absorption of energy e.g. ESR and NMR: radiowaves (MHz) IR vibrations
More informatione 2m e c I, (7.1) = g e β B I(I +1), (7.2) = erg/gauss. (7.3)
Chemistry 126 Molecular Spectra & Molecular Structure Week # 7 Electron Spin Resonance Spectroscopy, Supplement Like the hydrogen nucleus, an unpaired electron in a sample has a spin of I=1/2. The magnetic
More informationSpin Relaxation and NOEs BCMB/CHEM 8190
Spin Relaxation and NOEs BCMB/CHEM 8190 T 1, T 2 (reminder), NOE T 1 is the time constant for longitudinal relaxation - the process of re-establishing the Boltzmann distribution of the energy level populations
More informationMore NMR Relaxation. Longitudinal Relaxation. Transverse Relaxation
More NMR Relaxation Longitudinal Relaxation Transverse Relaxation Copyright Peter F. Flynn 2017 Experimental Determination of T1 Gated Inversion Recovery Experiment The gated inversion recovery pulse sequence
More informationSupporting Information
Supporting Information Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl -, Br - ; M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions Daniel
More informationElectronic Structure and Transition Intensities in Rare-Earth Materials
Electronic Structure and Transition Intensities in Rare-Earth Materials Michael F Reid Department of Physics and Astronomy and MacDiarmid Institute for Advanced Materials and Nanotechnology University
More informationNMR in Structural Biology
NMR in Structural Biology Exercise session 2 1. a. List 3 NMR observables that report on structure. b. Also indicate whether the information they give is short/medium or long-range, or perhaps all three?
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 informationSUPPLEMENTARY MATERIAL
SUPPLEMENTARY MATERIAL rientation selection in distance measurements between nitroxide spin labels at 94 GHz EPR with variable frequency separation Igor Tkach 1, Soraya Pornsuwan 1, Claudia Höbartner 2,
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 informationMASSACHUSETTS INSTITUTE OF TECHNOLOGY 5.76 Modern Topics in Physical Chemistry Spring, Problem Set #2
Reading Assignment: Bernath Chapter 5 MASSACHUSETTS INSTITUTE O TECHNOLOGY 5.76 Modern Topics in Physical Chemistry Spring 994 Problem Set # The following handouts also contain useful information: C &
More informationNMR Shifts. I Introduction and tensor/crystal symmetry.
NMR Shifts. I Introduction and tensor/crystal symmetry. These notes were developed for my group as introduction to NMR shifts and notation. 1) Basic shift definitions and notation: For nonmagnetic materials,
More informationDiphthamide biosynthesis requires a radical iron-sulfur enzyme. Pennsylvania State University, University Park, Pennsylvania 16802, USA
Diphthamide biosynthesis requires a radical iron-sulfur enzyme Yang Zhang, 1,4 Xuling Zhu, 1,4 Andrew T. Torelli, 1 Michael Lee, 2 Boris Dzikovski, 1 Rachel Koralewski, 1 Eileen Wang, 1 Jack Freed, 1 Carsten
More informationSolvent-mediated aggregate formation of PNDIT2: Decreasing the available conformational subspace by introducing locally highly ordered domains
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2017 Solvent-mediated aggregate formation of PNDIT2: Decreasing the available conformational
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 informationNBTI and Spin Dependent Charge Pumping in 4H-SiC MOSFETs
NBTI and Spin Dependent Charge Pumping in 4H-SiC MOSFETs Mark A. Anders, Patrick M. Lenahan, Pennsylvania State University Aivars Lelis, US Army Research Laboratory Energy Deviations from the resonance
More informationMagnetism and Magnetic Switching
Magnetism and Magnetic Switching Robert Stamps SUPA-School of Physics and Astronomy University of Glasgow A story from modern magnetism: The Incredible Shrinking Disk Instead of this: (1980) A story from
More informationLecture #6 (The NOE)
Lecture #6 (The OE) 2/18/15 Clubb Determining Protein tructures by MR: Measure thousands of shorter inter-hydrogen atom distances. Use these to restrain the structure of protein computationally. Distance
More informationDeveloping Quantum Logic Gates: Spin-Resonance-Transistors
Developing Quantum Logic Gates: Spin-Resonance-Transistors H. W. Jiang (UCLA) SRT: a Field Effect Transistor in which the channel resistance monitors electron spin resonance, and the resonance frequency
More informationNomenclature: Electron Paramagnetic Resonance (EPR) Electron Magnetic Resonance (EMR) Electron Spin Resonance (ESR)
Introduction to EPR Spectroscopy EPR allows paramagnetic species to be identified and their electronic and geometrical structures to be characterised Interactions with other molecules, concentrations,
More informationHigh Field EPR at the National High. Johan van Tol. Magnetic Field Lab
High Field EPR at the National High Johan van Tol Magnetic Field Lab Overview EPR Introduction High Field CW EPR typical examples ENDOR Pulsed EPR Relaxation rates Qubits Relaxation at high fields Outlook
More informationNMR Spectroscopy. Guangjin Hou
NMR Spectroscopy Guangjin Hou 22-04-2009 NMR History 1 H NMR spectra of water H NMR spectra of water (First NMR Spectra on Water, 1946) 1 H NMR spectra ethanol (First bservation of the Chemical Shift,
More informationSpectroscopy. Practical Handbook of. J. W. Robinson, Ph.D., D.Sc, F.R.C.S. Department of Chemistry Louisiana State University Baton Rouge, Louisiana
Practical Handbook of Spectroscopy Edited by J. W. Robinson, Ph.D., D.Sc, F.R.C.S. Department of Chemistry Louisiana State University Baton Rouge, Louisiana CRC Press Boca Raton Ann Arbor Boston TABLE
More informationInstrumentelle Analytik in den Geowissenschaften (PI)
280061 VU MA-ERD-2 Instrumentelle Analytik in den Geowissenschaften (PI) Handoutmaterial zum Vorlesungsteil Spektroskopie Bei Fragen bitte zu kontaktieren: Prof. Lutz Nasdala, Institut für Mineralogie
More informationIntroduction to Biomolecular Electron Paramagnetic Resonance Theory. E.C. Duin. Wilfred R. Hagen. Spectral Simulations. EPR, the Technique.
Introduction to Biomolecular Electron Paramagnetic Resonance Theory E.C. Duin Wilfred R. Hagen Paper: EPR spectroscopy as a probe of metal centres in biological systems (2006) Dalton Trans. 4415-4434 Book:
More informationIn this lecture, we will go through the hyperfine structure of atoms. The coupling of nuclear and electronic total angular momentum is explained.
Lecture : Hyperfine Structure of Spectral Lines: Page- In this lecture, we will go through the hyperfine structure of atoms. Various origins of the hyperfine structure are discussed The coupling of nuclear
More informationElectron spin coherence exceeding seconds in high-purity silicon
Electron spin coherence exceeding seconds in high-purity silicon Alexei M. Tyryshkin, Shinichi Tojo 2, John J. L. Morton 3, H. Riemann 4, N.V. Abrosimov 4, P. Becker 5, H.-J. Pohl 6, Thomas Schenkel 7,
More informationHigh Frequency Electron Paramagnetic Resonance Studies of Mn 12 Wheels
High Frequency Electron Paramagnetic Resonance Studies of Mn 12 Wheels Gage Redler and Stephen Hill Department of Physics, University of Florida Abstract High Frequency Electron Paramagnetic Resonance
More informationQuantum characterization of Ni4 magnetic clusters using electron paramagnetic resonance
Quantum characterization of Ni4 magnetic clusters using electron paramagnetic resonance S. Maccagnano a, R. S. Edwards b, E. Bolin b, S. Hill b, D. Hendrickson c, E. Yang c a Department of Physics, Montana
More informationQuantitative analysis of dinuclear manganese(ii) EPR spectra
Journal of Magnetic Resonance 165 (2003) 33 48 www.elsevier.com/locate/jmr Quantitative analysis of dinuclear manganese(ii) EPR spectra Adina P. Golombek and Michael P. Hendrich * Department of Chemistry,
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 informationInvestigations of the electron paramagnetic resonance spectra of VO 2+ in CaO Al 2 O 3 SiO 2 system
PRAMANA c Indian Academy of Sciences Vol. 73, No. 6 journal of December 2009 physics pp. 1087 1094 Investigations of the electron paramagnetic resonance spectra of VO 2+ in CaO Al 2 O 3 SiO 2 system Q
More informationSupport Effects on Hydrogen Desorption, Isotope Exchange, Chemical. Reactivity and Magnetism of Platinum Nanoclusters in KL Zeolite
Support Effects on Hydrogen Desorption, Isotope Exchange, Chemical Reactivity and Magnetism of Platinum Nanoclusters in KL Zeolite Christopher Jensen, 1 Joris van Slageren, 1 Peter Jakes, 2 Rüdiger-A.
More informationNeutron spin filter based on dynamically polarized protons using photo-excited triplet states
The 2013 International Workshop on Polarized Sources, Targets & Polarimetry Neutron spin filter based on dynamically polarized protons using photo-excited triplet states Tim Eichhorn a,b, Ben van den Brandt
More informationIII.4 Nuclear Magnetic Resonance
III.4 Nuclear Magnetic Resonance Radiofrequency (rf) spectroscopy on nuclear spin states in a uniaxial constant magnetic field B = B 0 z (III.4.1) B 0 is on the order of 1-25 T The rf frequencies vary
More informationGamma-ray decay. Introduction to Nuclear Science. Simon Fraser University Spring NUCS 342 March 7, 2011
Gamma-ray decay Introduction to Nuclear Science Simon Fraser University Spring 2011 NUCS 342 March 7, 2011 NUCS 342 (Lecture 18) March 7, 2011 1 / 31 Outline 1 Mössbauer spectroscopy NUCS 342 (Lecture
More informationSupplementary information for Quantum delayed-choice experiment with a beam splitter in a quantum superposition
Supplementary information for Quantum delayed-choice experiment with a beam splitter in a quantum superposition Shi-Biao Zheng 1, You-Peng Zhong 2, Kai Xu 2, Qi-Jue Wang 2, H. Wang 2, Li-Tuo Shen 1, Chui-Ping
More informationDirect dipolar interaction - utilization
Direct dipolar interaction - utilization Two main uses: I: magnetization transfer II: probing internuclear distances Direct dipolar interaction - utilization Probing internuclear distances ˆ hetero D d
More informationDecoherence in molecular magnets: Fe 8 and Mn 12
Decoherence in molecular magnets: Fe 8 and Mn 12 I.S. Tupitsyn (with P.C.E. Stamp) Pacific Institute of Theoretical Physics (UBC, Vancouver) Early 7-s: Fast magnetic relaxation in rare-earth systems (Dy
More informationHYPERFINE STRUCTURE CONSTANTS IN THE 102D3/2 AND 112D 3/2 STATES OF 85Rb M. GLOW
Vol. 83 (1993) ACTA PHYSICA POLONICA A No. 2 HYPERFINE STRUCTURE CONSTANTS IN THE 102D3/2 AND 112D 3/2 STATES OF 85Rb M. GLOW Institute of Physics, Polish Academy of Sciences Al. Lotników 32/46, 02-668
More informationEPR of photochromic Mo 3+ in SrTiO 3
EPR of photochromic Mo 3+ in SrTiO 3 Th. W. Kool Van t Hoff Institute for Molecular Sciences, University of Amsterdam NL 1018 WV Amsterdam, the Netherlands March 2010 Abstract In single crystals of SrTiO
More informationRedox Noninnocence of the Bridge in Copper(II) Salophen and bis-oxamato Complexes
Electronic supplementary Information for Redox Noninnocence of the Bridge in Copper(II) Salophen and bis-oxamato Complexes David de Bellefeuille, a Maylis Orio, b Anne-Laure Barra, c Ally Aukauloo, d,e
More informationNMR at Very Low Temperatures: Population Difference Thermometry 1
258 Bulletin of Magnetic Resonance Contents NMR at Very Low Temperatures: Population Difference Thermometry 1 Neil S. Sullivan Department of Physics University of Florida 215 Williamson Hall Gainesville,
More informationSupporting Information. Ising-Type Magnetic Ordering in Atomically Thin
Supporting Information Ising-Type Magnetic Ordering in Atomically Thin FePS3 Jae-Ung Lee, Sungmin Lee,, Ji Hoon Ryoo,,Soonmin Kang,, Tae Yun Kim, Pilkwang Kim, Cheol-Hwan Park, *,, Je-Geun Park, *,, and
More informationReading. What is EPR (ESR)? Spectroscopy: The Big Picture. Electron Paramagnetic Resonance: Hyperfine Interactions. Chem 634 T.
Electron Paramagnetic Resonance: yperfine Interactions hem 63 T. ughbanks Reading Drago s Physical Methods for hemists is still a good text for this section; it s available by download (zipped, password
More informationTHEORY OF MAGNETIC RESONANCE
THEORY OF MAGNETIC RESONANCE Second Edition Charles P. Poole, Jr., and Horacio A. Farach Department of Physics University of South Carolina, Columbia A Wiley-lnterscience Publication JOHN WILEY & SONS
More informationarxiv: v1 [cond-mat.str-el] 3 Dec 2015
arxiv:1512.00974v1 [cond-mat.str-el] 3 Dec 2015 Single crystal 27 Al-NMR study of the cubic Γ 3 ground doublet system PrTi 2 Al 20 T Taniguchi, M Yoshida, H Takeda, M Takigawa, M Tsujimoto, A Sakai, Y
More informationPhysics 221A Fall 1996 Notes 21 Hyperfine Structure in Hydrogen and Alkali Atoms
Physics 221A Fall 1996 Notes 21 Hyperfine Structure in Hydrogen and Alkali Atoms Hyperfine effects in atomic physics are due to the interaction of the atomic electrons with the electric and magnetic multipole
More informationHigh deuteron polarization in polymer target materials
High deuteron polarization in polymer target materials 1,2 L.Wang, 1 W.Meyer, 1 Ch.Hess, 1 E.Radtke, 1 A.Berlin, 1 J.Herick, 1 G.Reicherz, 1 Institut of Experimental Physics AG I, Ruhr-University Bochum,
More informationAppendix A Anti-parallel aggregation of WALP peptides in DOPC
Appendix A Appendix A Anti-parallel aggregation of WALP peptides in DOPC The study of WALP spin labeled at the central position had suggested linear aggregates in DOPC and cluster aggregates in DPPC, both
More informationHydrogen Bond Network between Amino Acid Radical Intermediates on the PCET Pathway of E. Coli α2 Ribonucleotide Reductase. Supplementary Results
Hydrogen Bond Network between Amino Acid Radical Intermediates on the PCET Pathway of E. Coli α2 Ribonucleotide Reductase Supplementary Results Thomas U. Nick, Wankyu Lee, Simone Koßmann, Frank Neese,*,
More informationAssignment 3 Due Tuesday, March 31, 2009
Assignment 3 Due Tuesday, March 31, 2009 Download and read the Math_techniques.pdf file from the Handouts section of the class web page. Do problems 1, 2, and 4 following section C (for problem 1, you
More informationReconciliation of experimental and theoretical electric tensor polarizabilities of the cesium ground state
Europhysics Letters PREPRINT Reconciliation of experimental and theoretical electric tensor polarizabilities of the cesium ground state S. Ulzega ( ), A. Hofer, P. Moroshkin and A. Weis Physics Department,
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 informationNMR: Formalism & Techniques
NMR: Formalism & Techniques Vesna Mitrović, Brown University Boulder Summer School, 2008 Why NMR? - Local microscopic & bulk probe - Can be performed on relatively small samples (~1 mg +) & no contacts
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 informationMicrowave and optical spectroscopy in r.f. traps Application to atomic clocks
Microwave and optical spectroscopy in r.f. traps Application to atomic clocks Microwave spectroscopy for hyperfine structure t measurements Energy of a hyperfine state Hyperfine coupling constants: A:
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 informationSupplementary Materials for
advances.sciencemag.org/cgi/content/full/3/7/e1700704/dc1 Supplementary Materials for Giant Rashba splitting in 2D organic-inorganic halide perovskites measured by transient spectroscopies Yaxin Zhai,
More informationPrinciples of Magnetic Resonance
С. Р. Slichter Principles of Magnetic Resonance Third Enlarged and Updated Edition With 185 Figures Springer-Verlag Berlin Heidelberg New York London Paris Tokyo Hong Kong Contents 1. Elements of Resonance
More informationSpin densities and related quantities in paramagnetic defects
Spin densities and related quantities in paramagnetic defects Roberto Orlando Dipartimento di Scienze e Tecnologie Avanzate Università del Piemonte Orientale Via G. Bellini 25/G, Alessandria roberto.orlando@unipmn.it
More informationThe Physical Basis of the NMR Experiment
The Physical Basis of the NMR Experiment 1 Interaction of Materials with Magnetic Fields F F S N S N Paramagnetism Diamagnetism 2 Microscopic View: Single Spins an electron has mass and charge in addition
More informationSUPPLEMENTARY INFORMATION
SUPPLEMENTRY INFORMTION DOI:.38/NPHYS2444 Demonstration of entanglement-by-measurement of solid-state qubits Wolfgang Pfaff, Tim H. Taminiau, Lucio Robledo, Hannes Bernien, Matthew Markham, 2 Daniel J.
More informationSupplementary Material: Spectroscopy of spin-orbit quantum bits in indium antimonide nanowires
Supplementary Material: Spectroscopy of spin-orbit quantum bits in indium antimonide nanowires S. Nadj-Perge, V. S. Pribiag, J. W. G. van den Berg, K. Zuo, S. R. Plissard, E. P. A. M. Bakkers, S. M. Frolov,
More informationElectron Paramagnetic Resonance Theory. E.C. Duin. Wilfred R. Hagen. Spectral Simulations. EPR, the Technique.
Electron Paramagnetic Resonance Theory Wilfred R. Hagen Paper: EPR spectroscopy as a probe of metal centres in biological systems (2006) Dalton Trans. 4415-4434 Book: Biomolecular EPR Spectroscopy (2009)
More information