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  1. Article ; Online: Post-acquisition correction of NMR spectra distorted by dynamic and static field inhomogeneity of cryogen-free magnets.

    Karabanov, Alexander / Kryukov, Eugeny / Langlais, Denis / Iuga, Dinu / Good, Jeremy

    Journal of magnetic resonance (San Diego, Calif. : 1997)

    2023  Volume 353, Page(s) 107494

    Abstract: Post-acquisition correction of NMR spectra is an important part of NMR spectroscopy that enables refined NMR spectra to be obtained, clean from undesirable out-phasing, broadening and noising. We describe analytical and numerical mathematical methods for ...

    Abstract Post-acquisition correction of NMR spectra is an important part of NMR spectroscopy that enables refined NMR spectra to be obtained, clean from undesirable out-phasing, broadening and noising. We describe analytical and numerical mathematical methods for post-acquisition correction of NMR spectra distorted by static and dynamic magnetic field inhomogeneity caused by imperfections of main superconducting coils and the cold head operation, typical for cryogen-free magnets. For the dynamic inhomogeneity, we apply a variant of the general reference deconvolution method, complemented with our mathematical analysis of spectral parameters. For the static inhomogeneity, we apply the method of a delayed Fourier transform, also supported with our analytical calculations. We verify our approach by correction processing of high-field experimental liquid-state
    Language English
    Publishing date 2023-06-01
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1469665-4
    ISSN 1096-0856 ; 1557-8968 ; 1090-7807 ; 0022-2364
    ISSN (online) 1096-0856 ; 1557-8968
    ISSN 1090-7807 ; 0022-2364
    DOI 10.1016/j.jmr.2023.107494
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: 35

    Iuga, Dinu / Corlett, Emily K / Brown, Steven P

    Magnetic resonance in chemistry : MRC

    2021  Volume 59, Issue 9-10, Page(s) 1089–1100

    Abstract: Heteronuclear multiple-quantum coherence (HMQC) pulse sequences for establishing heteronuclear correlation in solid-state nuclear magnetic resonance (NMR) ... ...

    Abstract Heteronuclear multiple-quantum coherence (HMQC) pulse sequences for establishing heteronuclear correlation in solid-state nuclear magnetic resonance (NMR) between
    MeSH term(s) Chlorine ; Nuclear Magnetic Resonance, Biomolecular ; Pharmaceutical Preparations/chemistry ; Protons ; Salts/chemistry
    Chemical Substances Pharmaceutical Preparations ; Protons ; Salts ; Chlorine (4R7X1O2820)
    Language English
    Publishing date 2021-07-14
    Publishing country England
    Document type Journal Article
    ZDB-ID 1475029-6
    ISSN 1097-458X ; 0749-1581
    ISSN (online) 1097-458X
    ISSN 0749-1581
    DOI 10.1002/mrc.5188
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Cryogen-free 400 MHz (9.4 T) solid state MAS NMR system with liquid state NMR potential.

    Kryukov, Eugeny / Karabanov, Alexander / Langlais, Denis / Iuga, Dinu / Reckless, Rupert / Good, Jeremy

    Solid state nuclear magnetic resonance

    2023  Volume 125, Page(s) 101873

    Abstract: We show that the temporal magnetic field distortion generated by the Cold Head operation can be removed and high quality Solid-State Magic Angle Spinning NMR results can be obtained with a cryogen-free magnet. The compact design of the cryogen-free ... ...

    Abstract We show that the temporal magnetic field distortion generated by the Cold Head operation can be removed and high quality Solid-State Magic Angle Spinning NMR results can be obtained with a cryogen-free magnet. The compact design of the cryogen-free magnets allows for the probe to be inserted either from the bottom (as in most NMR systems) or, more conveniently, from the top. The magnetic field settling time can be made as short as an hour after a field ramp. Therefore, a single cryogen-free magnet can be used at different fixed fields. The magnetic field can be changed every day without compromising the measurement resolution.
    MeSH term(s) Magnetic Resonance Spectroscopy/methods ; Magnetic Resonance Imaging ; Magnetic Fields ; Magnets
    Language English
    Publishing date 2023-05-04
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 1122088-0
    ISSN 1527-3326 ; 0926-2040
    ISSN (online) 1527-3326
    ISSN 0926-2040
    DOI 10.1016/j.ssnmr.2023.101873
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 4368: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (2.OG)
    ab Jg. 2022: Lesesaal (EG)

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  4. Article ; Online: Disorder and Oxide Ion Diffusion Mechanism in La

    Corti, Lucia / Iuga, Dinu / Claridge, John B / Rosseinsky, Matthew J / Blanc, Frédéric

    Journal of the American Chemical Society

    2023  Volume 145, Issue 40, Page(s) 21817–21831

    Abstract: Layered tetrahedral network melilite is a promising structural family of fast ion conductors that exhibits the flexibility required to accommodate interstitial oxide anions, leading to excellent ionic transport properties at moderate temperatures. Here, ... ...

    Abstract Layered tetrahedral network melilite is a promising structural family of fast ion conductors that exhibits the flexibility required to accommodate interstitial oxide anions, leading to excellent ionic transport properties at moderate temperatures. Here, we present a combined experimental and computational magic angle spinning (MAS) nuclear magnetic resonance (NMR) approach which aims at elucidating the local configurational disorder and oxide ion diffusion mechanism in a key member of this structural family possessing the La
    Language English
    Publishing date 2023-10-02
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3155-0
    ISSN 1520-5126 ; 0002-7863
    ISSN (online) 1520-5126
    ISSN 0002-7863
    DOI 10.1021/jacs.3c04821
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Bonn / Germany

    Z 4' 55/32: Show issues
    Z 7.3: Show issues

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  5. Article ; Online: Double-quantum homonuclear correlations of spin I=5/2 nuclei.

    Iuga, Dinu

    Journal of magnetic resonance (San Diego, Calif. : 1997)

    2011  Volume 208, Issue 2, Page(s) 225–234

    Abstract: The challenges associated with acquiring double-quantum homonuclear Nuclear Magnetic Resonance correlation spectra of half-integer quadrupolar nuclei are described. In these experiments the radio-frequency irradiation amplitude is necessarily weak in ... ...

    Abstract The challenges associated with acquiring double-quantum homonuclear Nuclear Magnetic Resonance correlation spectra of half-integer quadrupolar nuclei are described. In these experiments the radio-frequency irradiation amplitude is necessarily weak in order to selectively excite the central transition. In this limit only one out of the 25 double-quantum coherences possible for two coupled spin I=5/2 nuclei is excited. An investigation of all the 25 two spins double quantum transitions reveals interesting effects such as a compensation of the first-order quadrupolar interaction between the two single quantum transitions involved in the double quantum coherence. In this paper a full numerical study of a hypothetical two spin I=5/2 system is used to show what happens when the RF amplitude during recoupling is increased. In principle this is advantageous, since the required double quantum coherence should build up faster, but in practice it also induces adiabatic passage transfer of population and coherence which impedes any build up. Finally an optimized rotary resonance recoupling (oR(3)) sequence is introduced in order to decrease these transfers. This sequence consists of a spin locking irradiation whose amplitude is reduced four times during one rotor period, and allows higher RF powers to be used during recoupling. The sequence is used to measure (27)Al DQ dipolar correlation spectra of Y(3)Al(5)O(12) (YAG) and gamma alumina (γAl(2)O(3)). The results prove that aluminium vacancies in gamma alumina mainly occur in the tetrahedral sites.
    MeSH term(s) Aluminum Oxide/chemistry ; Electromagnetic Fields ; Magnetic Resonance Spectroscopy/methods ; Magnetic Resonance Spectroscopy/statistics & numerical data ; Quantum Theory ; Radio Waves
    Chemical Substances Aluminum Oxide (LMI26O6933)
    Language English
    Publishing date 2011-02
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1469665-4
    ISSN 1096-0856 ; 1557-8968 ; 1090-7807 ; 0022-2364
    ISSN (online) 1096-0856 ; 1557-8968
    ISSN 1090-7807 ; 0022-2364
    DOI 10.1016/j.jmr.2010.11.007
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  6. Article: Unraveling the Complex Solid-State Phase Transition Behavior of 1-Iodoadamantane, a Material for Which Ostensibly Identical Crystals Undergo Different Transformation Pathways.

    Al Rahal, Okba / Kariuki, Benson M / Hughes, Colan E / Williams, P Andrew / Xu, Xiaoyan / Gaisford, Simon / Iuga, Dinu / Harris, Kenneth D M

    Crystal growth & design

    2023  Volume 23, Issue 5, Page(s) 3820–3833

    Abstract: Phase transitions in crystalline molecular solids have important implications in the fundamental understanding of materials properties and in the development of materials applications. Herein, we report the solid-state phase transition behavior of 1- ... ...

    Abstract Phase transitions in crystalline molecular solids have important implications in the fundamental understanding of materials properties and in the development of materials applications. Herein, we report the solid-state phase transition behavior of 1-iodoadamantane (1-IA) investigated using a multi-technique strategy [synchrotron powder X-ray diffraction (XRD), single-crystal XRD, solid-state NMR, and differential scanning calorimetry (DSC)], which reveals complex phase transition behavior on cooling from ambient temperature to ca. 123 K and on subsequent heating to the melting temperature (348 K). Starting from the known phase of 1-IA at ambient temperature (phase
    Language English
    Publishing date 2023-04-12
    Publishing country United States
    Document type Journal Article
    ISSN 1528-7483
    ISSN 1528-7483
    DOI 10.1021/acs.cgd.3c00223
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  7. Article ; Online: A fast ceramic mixed OH

    Zou, Peimiao / Iuga, Dinu / Ling, Sanliang / Brown, Alex J / Chen, Shigang / Zhang, Mengfei / Han, Yisong / Fortes, A Dominic / Howard, Christopher M / Tao, Shanwen

    Nature communications

    2024  Volume 15, Issue 1, Page(s) 909

    Abstract: Low temperature ionic conducting materials such as ... ...

    Abstract Low temperature ionic conducting materials such as OH
    Language English
    Publishing date 2024-01-30
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-024-45060-1
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  8. Article: Synergy of Solid-State NMR, Single-Crystal X-ray Diffraction, and Crystal Structure Prediction Methods: A Case Study of Teriflunomide (TFM).

    Pawlak, Tomasz / Sudgen, Isaac / Bujacz, Grzegorz / Iuga, Dinu / Brown, Steven P / Potrzebowski, Marek J

    Crystal growth & design

    2021  Volume 21, Issue 6, Page(s) 3328–3343

    Abstract: In this work, for the first time, we present the X-ray diffraction crystal structure and spectral properties of a new, room-temperature polymorph of teriflunomide (TFM), CSD code 1969989. As revealed by DSC, the low-temperature TFM polymorph recently ... ...

    Abstract In this work, for the first time, we present the X-ray diffraction crystal structure and spectral properties of a new, room-temperature polymorph of teriflunomide (TFM), CSD code 1969989. As revealed by DSC, the low-temperature TFM polymorph recently reported by Gunnam et al. undergoes a reversible thermal transition at -40 °C. This reversible process is related to a change in
    Language English
    Publishing date 2021-05-10
    Publishing country United States
    Document type Journal Article
    ISSN 1528-7483
    ISSN 1528-7483
    DOI 10.1021/acs.cgd.1c00123
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  9. Article ; Online: A

    Laurencin, Danielle / Li, Yang / Duer, Melinda J / Iuga, Dinu / Gervais, Christel / Bonhomme, Christian

    Magnetic resonance in chemistry : MRC

    2021  Volume 59, Issue 9-10, Page(s) 1048–1061

    Abstract: ... ...

    Abstract 43
    Language English
    Publishing date 2021-04-04
    Publishing country England
    Document type Journal Article
    ZDB-ID 1475029-6
    ISSN 1097-458X ; 0749-1581
    ISSN (online) 1097-458X
    ISSN 0749-1581
    DOI 10.1002/mrc.5149
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  10. Article ; Online: Synthesis and structural characterisation of solid titanium(IV) phosphate materials by means of X-ray absorption and NMR spectroscopy.

    Rusanova-Naydenova, Daniela / Trublet, Mylène / Klysubun, Wantana / Cholsuk, Chanakan / Iuga, Dinu / Dupree, Ray / Antzutkin, Oleg N / Persson, Ingmar

    Dalton transactions (Cambridge, England : 2003)

    2022  Volume 51, Issue 21, Page(s) 8192–8207

    Abstract: Solid titanium phosphate, TiP, materials hold great promise for wastewater treatment for removal of metal ions and complexes. A series of TiP materials, synthesised at mild conditions and short reaction times, have been structurally characterised using ... ...

    Abstract Solid titanium phosphate, TiP, materials hold great promise for wastewater treatment for removal of metal ions and complexes. A series of TiP materials, synthesised at mild conditions and short reaction times, have been structurally characterised using solid-state X-ray absorption spectroscopy, phosphorus and titanium K edge XANES and EXAFS, and
    Language English
    Publishing date 2022-05-31
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472887-4
    ISSN 1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
    ISSN (online) 1477-9234 ; 1364-5447
    ISSN 0300-9246 ; 1477-9226
    DOI 10.1039/d2dt00902a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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