Molecular biosensor based on a coordinated iron complex

Salazar-Salinas, Karim; Jauregui, Luis A.; Kubli‐Garfias, Carlos; Seminario, Jorge M.

doi:10.1063/1.3070235

Cited by 30 publications

(27 citation statements)

References 51 publications

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“…Meanwhile, O 2 binds in a bent-mode with an angle of about 120.4°–121.4° in both the singlet and triplet states. The CO and O 2 binding angles are in good agreement with the ones presented in the iron porphyrin histidine complex 25 . In the linear Co-L (L = N 2 , CO, OC) bond, the Co orbital is destabilized by the σ-donation from the axial ligand into the Co orbital.…”

Section: Resultssupporting

confidence: 84%

Selectivity of Cobalt Corrole for CO vs. O2 and N2 in Indoor Pollution

Sheng

Zhao

2017

Sci Rep

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Coal combustion causes indoor pollution of CO. In this work, DFT calculations on cobalt corrole (Co(Cor)) with three most common indoor gas molecules (N2, O2 and CO) were performed. The Mulliken spin densities show that the ground states of Co(N2)(Cor), Co(CO)(Cor) and Co(OC)(Cor) have an anti-ferromagnetic coupling fashion of the electrons on the Co 3d z 2 orbital and the π orbital of the corrole ring. However, Co(O2)(Cor) has a triplet ground state. With the spin contamination corrections, the Co(N2)(Cor) binding energy was obtained at −50.6 kcal mol−1 (B3LYP-D3). While CO can interact with Co(Cor) in two different ways, and their binding energies were −22.8 and −10.9 kcal mol−1 (B3LYP-D3) for Co(CO)(Cor) and Co(OC)(Cor), respectively. The natural bond orbital charges on the axial ligands (NO, CO, OC) are increased upon the chemical bond formation. These are the cause of the shorten metal-ligand bond and the increase of the wavenumber of the metal-ligand bond vibrational transitions. While the charges for O2 are decreased, leading to bond elongation as well as the decrease of the wavenumber upon complexation. Overall, O2 was found to be hardly coordinated with Co(Cor). This study provides a detailed molecular understanding of interactions between a gas sensor and gaseous indoor air-pollutants.

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Section: Resultssupporting

confidence: 84%

Selectivity of Cobalt Corrole for CO vs. O2 and N2 in Indoor Pollution

Sheng

Zhao

2017

Sci Rep

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“…Histidine plays an important role in many metalloproteins providing a binding site for coordinated metal complexes, for example Fe porphyrins. 26. 17,20 The latter feature is widely explored for the development of electrochemical sensors based on peptide modified electrodes for metal detection in environmental monitoring.…”

Section: Introductionmentioning

confidence: 99%

“…Due to the complexity of the chemical structure, the contribution of the imidazole ligand to the sensing abilities of the Fe porphyrins was mainly studied theoretically, for example in ref. 26.…”

Section: Introductionmentioning

confidence: 99%

Functionalization of nanostructured cerium oxide films with histidine

Tsud

Bercha

Acres

et al. 2015

Phys. Chem. Chem. Phys.

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The surfaces of polycrystalline cerium oxide films were modified by histidine adsorption under vacuum and characterized by the synchrotron based techniques of core and valence level photoemission, resonant photoemission and near edge X-ray absorption spectroscopy, as well as atomic force microscopy. Histidine is strongly bound to the oxide surface in the anionic form through the deprotonated carboxylate group, and forms a disordered molecular adlayer. The imidazole ring and the amino side group do not form bonds with the substrate but are involved in the intermolecular hydrogen bonding which stabilizes the molecular adlayer. The surface reaction with histidine results in water desorption accompanied by oxide reduction, which is propagated into the bulk of the film. Previously studied, well-characterized surfaces are a guide to the chemistry of the present polycrystalline surface and histidine bonds via the carboxylate group in both cases. In contrast, bonding via the imidazole group occurs on the well-ordered surface but not in the present case. The morphology and structure of the cerium oxide are decisive factors which define the adsorption geometry of the histidine adlayer.

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“…Molecular spintronics is a field which aims to merge the flexibility of synthetic design of molecular compounds with novel functionalities offered by magnetic properties in conjunction with electronics circuits [1]. Magnetically active molecules have been used to demonstrate spin valve effect using external magnetic fields [2], stochastic switching between high and low conductive states by transitions between spin singlet and triplet ground states [3][4][5][6], controlled transport properties via paramagnetic atoms [7], as well as their potential for quantum based computation [8][9][10][11][12][13]. Arrays of magnetic molecules inserted between conducting leads, moreover, provide an important forum to investigate fundamental magnetic properties of finite one-dimensional Ising or Heisenberg chains [14][15][16] as well as potential for electrical and thermal control of the magnetic state.…”

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confidence: 99%

Voltage-Induced Switching Dynamics of a Coupled Spin Pair in a Molecular Junction

et al. 2016

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Molecular spintronics is made possible by the coupling between electronic configuration and magnetic polarization of the molecules. For control and application of the individual molecular states it is necessary to both read and write their spin states. Conventionally, this is achieved by means of external magnetic fields or ferromagnetic contacts, which may change the intentional spin state and may present additional challenges when downsizing devices. Here, we predict that coupling magnetic molecules together opens up possibilities for all electrical control of both the molecular spin states as well as the current flow through the system. Tuning between the regimes of ferromagnetic and anti-ferromagnetic exchange interaction, the current can be, at least, an order of magnitude enhanced or reduced. The effect is susceptible to the tunnel coupling and molecular level alignment which can be used to achieve current rectification. Molecular spintronics is a field which aims to merge the flexibility of synthetic design of molecular compounds with novel functionalities offered by magnetic properties in conjunction with electronics circuits [1]. Magnetically active molecules have been used to demonstrate spin valve effect using external magnetic fields [2], stochastic switching between high and low conductive states by transitions between spin singlet and triplet ground states [3][4][5][6], controlled transport properties via paramagnetic atoms [7], as well as their potential for quantum based computation [8][9][10][11][12][13]. Arrays of magnetic molecules inserted between conducting leads, moreover, provide an important forum to investigate fundamental magnetic properties of finite one-dimensional Ising or Heisenberg chains [14][15][16] as well as potential for electrical and thermal control of the magnetic state. Certain classes of molecules, e.g., metal-phthalocyanines (MPc) and metal-porhyrins (MP) present chemical stability with specific optical and electrical properties make them highly appreciated for technological applications including organic field effect transistors [17,18], light emitting devices [19,20] and photovoltaic cells [21], and for fundamental studies [7,[22][23][24][25][26][27].While incorporation of magnetic elements in molecular compounds can have a significant effect on the overall molecular transport properties [7], the main established route to spintronics manipulations entails external magnetic fields [2] or ferromagnetic electrodes [28,29], often exploiting spin transfer torques from spin-polarized scattering [30] or Coulomb interaction [31]. Here, we propose a different route to molecular spintronics based on voltage induced control of magnetic interactions that allows for all electrical control of the transport properties. Deriving from local exchange interactions between the localized spin moments and the electrons in paramagnetic molecules, an indirect effective spinspin interaction is generated between the molecular spin moments through the electron tunneling between the molecules [32...

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Molecular biosensor based on a coordinated iron complex

Cited by 30 publications

References 51 publications

Selectivity of Cobalt Corrole for CO vs. O2 and N2 in Indoor Pollution

Selectivity of Cobalt Corrole for CO vs. O2 and N2 in Indoor Pollution

Functionalization of nanostructured cerium oxide films with histidine

Voltage-Induced Switching Dynamics of a Coupled Spin Pair in a Molecular Junction

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