Direct detection of the mercury–nitrogen bond in the thymine–Hg<sup>II</sup>–thymine base-pair with <sup>199</sup>Hg NMR spectroscopy

Dairaku, Takenori; Furuita, Kyoko; Sato, Hajime; Šebera, Jakub; Yamanaka, Daichi; Otaki, Hiroyuki; Kikkawa, Shoko; Kondo, Yoshinori; Katahira, Ritsuko; Bickelhaupt, F. Matthias; Guerra, Célia Fonseca; Ono, Akira; Sychrovský, Vladimı́r; Kojima, Chojiro; Tanaka, Yoshiyuki

doi:10.1039/c5cc02423d

Cited by 38 publications

(32 citation statements)

References 62 publications

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“…This is in accord with the trigonal planar coordination of the nitrogen atoms [Σ(∡N1): 358° and Σ(∡N2): 360°]. Trigonal planar coordination of the nitrogen atoms was also suggested by Wannagat et al (based on IR and Raman spectroscopy), by Szymanski and co‐workers and by Sychrovsky, Tanaka et al (based on NMR spectroscopic investigations),, as well as by Fjeldberg et al (on the basis of gas‐phase electron diffraction) . In this regard, the structural parameters in the solid state agree well with the previously reported experimental as well as calculated gas‐phase and solution structures.…”

Section: Resultssupporting

confidence: 72%

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Dispersion Makes a Difference – The Solid‐State Structure of Hg[N(SiMe₃)₂]₂

et al. 2018

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The solid‐state structure and Raman spectrum of Wannagat's mercurane, Hg[N(SiMe3)2]2 (1), are reported. Crystals were grown from the pure substance by slow cooling to –24 °C. Compound 1 crystallizes in the monoclinic space group P21/c as discrete monomers, which do not display intermolecular mercurophilic interactions. The molecular structure features a nearly linear N–Hg–N scaffold, while the (Me3Si)2N groups are in a staggered conformation with a dihedral angle of 58.3° (average) to each other. This can be attributed to intramolecular dispersion interactions according to DFT calculations.

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Section: Resultssupporting

confidence: 72%

“…1 was intensively investigated by spectroscopic methods including vibrational and NMR spectroscopy , , . The compound is volatile and, therefore, it had been possible to determine the gas‐phase structure by electron diffraction .…”

Section: Introductionmentioning

confidence: 99%

Dispersion Makes a Difference – The Solid‐State Structure of Hg[N(SiMe₃)₂]₂

et al. 2018

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“…To determine the chemical structure of C–Ag I –C in solution, 15 N NMR spectroscopy was employed. The 1‐bond N‐metal J ‐coupling and 2‐bond N–N J ‐coupling across a metal mediated linkage provided solid evidence of the metal binding mode in similar metallo‐base pairs. In addition, the N−H J ‐coupling of the amino group was used for exact determination of the state of the amino group(s) in C–Ag I –C.…”

Section: Figurementioning

confidence: 92%

Structure Determination of an Ag^I‐Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with ¹H/¹⁵N/¹⁰⁹Ag NMR Spectroscopy

Dairaku

Furuita

Sato³

et al. 2016

Chemistry A European J

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The structure of an Ag(I) -mediated cytosine-cytosine base pair, C-Ag(I) -C, was determined with NMR spectroscopy in solution. The observation of 1-bond (15) N-(109) Ag J-coupling ((1) J((15) N,(109) Ag): 83 and 84 Hz) recorded within the C-Ag(I) -C base pair evidenced the N3-Ag(I) -N3 linkage in C-Ag(I) -C. The triplet resonances of the N4 atoms in C-Ag(I) -C demonstrated that each exocyclic N4 atom exists as an amino group (-NH2 ), and any isomerization and/or N4-Ag(I) bonding can be excluded. The 3D structure of Ag(I) -DNA complex determined with NOEs was classified as a B-form conformation with a notable propeller twist of C-Ag(I) -C (-18.3±3.0°). The (109) Ag NMR chemical shift of C-Ag(I) -C was recorded for cytidine/Ag(I) complex (δ((109) Ag): 442 ppm) to completed full NMR characterization of the metal linkage. The structural interpretation of NMR data with quantum mechanical calculations corroborated the structure of the C-Ag(I) -C base pair.

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“…For MSO, the presence of the target HMI causes the formation of strong metal-base complexes. The design of these specific nucleic acid sequences had followed the discovery of the specific coordination ability of Hg 2+ and Ag + ions for ssDNA rich in thyme (T-rich) and cytosine (C-rich), respectively, as described in 2015 [45,46]. Their capability to intercalate the mismatches forming T-Hg 2+ -T (see Figure 1(A2)) and C-Ag + -C stable pairs was used in numerous biosensing strategies mainly based on the detection of hybridization events [47,48].…”

Section: Peptides Enzymes and Functional Nucleic Acidsmentioning

confidence: 99%

Bio- and Biomimetic Receptors for Electrochemical Sensing of Heavy Metal Ions

Stortini

Baldo

Moro

et al. 2020

Sensors

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Heavy metals ions (HMI), if not properly handled, used and disposed, are a hazard for the ecosystem and pose serious risks for human health. They are counted among the most common environmental pollutants, mainly originating from anthropogenic sources, such as agricultural, industrial and/or domestic effluents, atmospheric emissions, etc. To face this issue, it is necessary not only to determine the origin, distribution and the concentration of HMI but also to rapidly (possibly in real-time) monitor their concentration levels in situ. Therefore, portable, low-cost and high performing analytical tools are urgently needed. Even though in the last decades many analytical tools and methodologies have been designed to this aim, there are still several open challenges. Compared with the traditional analytical techniques, such as atomic absorption/emission spectroscopy, inductively coupled plasma mass spectrometry and/or high-performance liquid chromatography coupled with electrochemical or UV–VIS detectors, bio- and biomimetic electrochemical sensors provide high sensitivity, selectivity and rapid responses within portable and user-friendly devices. In this review, the advances in HMI sensing in the last five years (2016–2020) are addressed. Key examples of bio and biomimetic electrochemical, impedimetric and electrochemiluminescence-based sensors for Hg2+, Cu2+, Pb2+, Cd2+, Cr6+, Zn2+ and Tl+ are described and discussed.

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Direct detection of the mercury–nitrogen bond in the thymine–Hg^II–thymine base-pair with ¹⁹⁹Hg NMR spectroscopy

Cited by 38 publications

References 62 publications

Dispersion Makes a Difference – The Solid‐State Structure of Hg[N(SiMe₃)₂]₂

Dispersion Makes a Difference – The Solid‐State Structure of Hg[N(SiMe₃)₂]₂

Structure Determination of an Ag^I‐Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with ¹H/¹⁵N/¹⁰⁹Ag NMR Spectroscopy

Bio- and Biomimetic Receptors for Electrochemical Sensing of Heavy Metal Ions

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Direct detection of the mercury–nitrogen bond in the thymine–HgII–thymine base-pair with 199Hg NMR spectroscopy

Cited by 38 publications

References 62 publications

Dispersion Makes a Difference – The Solid‐State Structure of Hg[N(SiMe3)2]2

Dispersion Makes a Difference – The Solid‐State Structure of Hg[N(SiMe3)2]2

Structure Determination of an AgI‐Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with 1H/15N/109Ag NMR Spectroscopy

Bio- and Biomimetic Receptors for Electrochemical Sensing of Heavy Metal Ions

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Direct detection of the mercury–nitrogen bond in the thymine–Hg^II–thymine base-pair with ¹⁹⁹Hg NMR spectroscopy

Dispersion Makes a Difference – The Solid‐State Structure of Hg[N(SiMe₃)₂]₂

Dispersion Makes a Difference – The Solid‐State Structure of Hg[N(SiMe₃)₂]₂

Structure Determination of an Ag^I‐Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with ¹H/¹⁵N/¹⁰⁹Ag NMR Spectroscopy