Scenarios for Molecular-Level Signal Processing

Seminario, Jorge M.; Yan, Liuming; Ma, Yuying

doi:10.1109/jproc.2005.853541

Cited by 64 publications

(62 citation statements)

References 78 publications

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“…Thus, the photons from the UV source provide the energy to excite an electron from the HOMO to the LUMO (4.85 eV) of provitamin D 3 , which in turn yields to the intermediate conformation (previtamin D 3 ) at 3.92 eV above. The provided energy breaks the bond of one ring as is shown in Figure 2 and consequently stabilizes in vitamin D 3 . The HLG at the transition conformation decreases but it is actually a local minimum as the reactant and the product are.…”

Section: Methodsmentioning

confidence: 96%

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Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D₃

2009

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In this theoretical-experimental approach, we show using ab initio calculations behavior consistent with the activation of 7-dehydrocholesterol, provitamin D(3), as an initial reactant toward ultraviolet-activated reactions of vitamin D(3). We find using molecular orbital theory that a conformation between the provitamin and the vitamin shows higher conductance than those of the reactant and product. We also find experimental evidence of this electrical character by directly measuring current-voltage characteristics on irradiated and nonirradiated samples of the provitamin. The activation of the provitamin D(3) is characterized with an increase in current during the irradiation.

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Section: Methodsmentioning

confidence: 96%

“…Simplified photoreactions of vitamin D3 showing the molecules analyzed in this work. The red arrows show that the single bond in provitamin D3 is broken to form the red bonds in the previtamin D 3 .…”

mentioning

confidence: 99%

Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D₃

2009

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“…DNA-CNT interactions in water solution show self-assembly properties [37], which can be exploited for making hybrid nanodevices [38][39][40][41] and be combined with other molecular electronics approaches [42][43][44][45][46][47].…”

Section: Introductionmentioning

confidence: 99%

Self-assembly of DNA on a gapped carbon nanotube

Bobadilla

Seminario

2012

J Mol Model

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We perform molecular dynamics simulations to analyze the wrapping process of a single-stranded (ss) DNA around a gapped CNT immersed in a bath of water. We observe the formation of a stable molecular junction with the ssDNA adopting a helical or circular conformation around one CNT electrode and a linear conformation around the opposite electrode. We find that DNA undergoes several conformational changes during equilibration of the self-assembled molecular junction. This process would allow a higher yield of successful CNT-DNA interconnections, which constitutes a novel structure of interest in chemical and biological sensing at the single-molecule level.

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“…Within this scenario, it is very difficult to take into account quantum effects in the simulation of their dynamics, due to the large computational cost involved [3,4]. Hence, classical approaches are employed in which the dynamics of the nanosystem are determined by means of socalled molecular dynamics methods [1,[5][6][7]. However, this is a rather questionable way of attacking the problem, since it is well known that quantum effects are important at the nanoscale.…”

Section: Introductionmentioning

confidence: 99%

Design approach of a molecular nanotransmitter using quantum dynamics: A case study on ethane

et al. 2010

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We present a fully quantum-mechanical approach for the design of molecular energy nanotransmitters. To illustrate the implementation of this approach, a reduced-dimensionality model of the ethane molecule (C 2 H 6 ), in which the two methyl (CH 3 ) groups are considered as coupled rigid rotors, is chosen as a tractable prototype. For relevant initial conditions, the multiconfigurational time-dependent Hartree (MCTDH) method is employed to simulate the quantum dynamics of rotational energy transmission between the two methyl groups. Our approach can be extendable to more complex nanomachines.

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Scenarios for Molecular-Level Signal Processing

Cited by 64 publications

References 78 publications

Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D₃

Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D₃

Self-assembly of DNA on a gapped carbon nanotube

Design approach of a molecular nanotransmitter using quantum dynamics: A case study on ethane

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Scenarios for Molecular-Level Signal Processing

Cited by 64 publications

References 78 publications

Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D3

Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D3

Self-assembly of DNA on a gapped carbon nanotube

Design approach of a molecular nanotransmitter using quantum dynamics: A case study on ethane

Contact Info

Product

Resources

About

Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D₃

Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D₃