From Virtual to Physical: Integration of Chemical Logic Gates

Guliyev, Ruslan; Ozturk, Seyma; Köstereli, Ziya; Akkaya, Engin U.

doi:10.1002/anie.201104228

Cited by 121 publications

(57 citation statements)

References 68 publications

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“…According to electrochemical potential, complexation ability of the bridges can be controlled. Reduction potential of Fc is known to be 0.4(V) [19]. According to our results, reduction potential amount is increased by adding BODIPY linkers and Ca(II) ion to the structures.…”

Section: Electrochemical Propertiessupporting

confidence: 60%

Theoretical Investigation of Linker Effects on New Designed Bodipy-Ferrocene Based Three Channels Calcium (II) Ion Sensors; as Redox, Colorimetric and Fluorescent Properties

2015

J Chem Appl

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In this work, the structural, spectroscopic and electronic properties of proposed model complexes of 4,4-Difluoro-4-borata-3a-azonia4a-ana-s-indacene(BODIPY)-Ferrocene based Calcium ion sensors were investigated by means of DFT calculations. Geometric, and electronic effects of 4 different chemical linkers, azin(1), azadiene(2), urea(3) and thiazole(4), were predicted on the development of these fluorescent sensors computationally at B3LYP/LANL2DZ level. Designed sensors are expected to work in living systems, so all the calculations were carried out in water phase. In addition, frontier molecular orbital properties, electronic spectra and electrochemical properties were also computed. According to the computational thermodynamic results, sensors which contain urea and thiazole as the linker group, make the most stable complexes with Ca(II) ion. In general, it was found that calcium complexation of sensors leads to lower absorption energy bands, causes a decrease in HOMO-LUMO gap with respect to the linker type, a bathochromic shift in the lowest energy absorbance wavelengths, and an anodic shift of redox potential. Overall result of complexation is an increase in the absorption λ max value, while solvent effect causes a blue shift in absorption bands. Maximum emission redshift is observed in urea bridged sensors, followed by thiazole. This sequence was also spotted in the acidic environment. Molecular logic gates are also formed for normally protonated sensors and their metal complexes. Each type of designed sensors is corresponded to a certain type of logic gates.

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Section: Electrochemical Propertiessupporting

confidence: 60%

Theoretical Investigation of Linker Effects on New Designed Bodipy-Ferrocene Based Three Channels Calcium (II) Ion Sensors; as Redox, Colorimetric and Fluorescent Properties

2015

J Chem Appl

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“…The regenerative capability of CeONP made the logic gates feasible to reset to their initial conditions by heating. This CeONP-based logic gate solved the two major problems of chemical computing systems 72 : (1) difficult to scale up for assembling large networking systems because of the interference between reactions and the incompatibility of various chemical gates operating under different conditions; (2) unable to realize the logic system reset, which is a crucial property for practical applications. Finally, Lin et al 15 applied the proposed system in practical logic sensing.…”

Section: Biological Applications Bioanalysismentioning

confidence: 99%

Cerium oxide nanoparticle: a remarkably versatile rare earth nanomaterial for biological applications

2014

NPG Asia Mater

921

650

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“…The You group investigated 16 a similarly designed system for its drug release potential. However, to the best of our knowledge, explicit reactionbased modulation of EET 21 toward singlet oxygen-dependent ratiometric self-activity sensing of a photosensitizer has not been reported before. In any case, the rate of increase in the fluorescence of the reporter module is a direct measure of the rate of singlet oxygen generation under the conditions of the study.…”

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confidence: 96%

Toward Singlet Oxygen Delivery at a Measured Rate: A Self-Reporting Photosensitizer

Erbaş-Çakmak

Akkaya

2014

Org. Lett.

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A Bodipy-based energy transfer cassette with a singlet oxygen reactive linker between the donor and acceptor modules has an interesting emergent property, if the acceptor module is also a photosensitizer. Singlet oxygen produced by the photosensitizer reacts rapidly with the molecule itself to liberate the energy donor, resulting in an enhanced fluorescence emission. The result is a self-reporting photosensitizer providing an assessment of the singlet oxygen production rate under the operational conditions. S ensing analytes in solution is highly important both for the elucidation of the processes they are involved in and/or for determining therapeutic/diagnostic approaches in diseases where corresponding analytes are markers for various biological anomalies. 1,2 Apart from using analyte responsive molecules as reporters, activatable therapeutic systems have been developed as well, where the disease related parameter is used to initiate a chemical/physical transformation in the therapeutic agent to alter its activity. Activatable photosensitizers are one of such therapeutics with a modulated activatability property. 3−8 Exchange of ideas between the fields of therapeutic design and molecular sensors is expected to yield great improvements in personalized treatment and diagnostics. However, one of the main problems not addressed so far in this overlap area, is the inadequacy of measuring the effect of any therapeutics directly. Rather, the biological effect is analyzed on a cellular level. For the photosensitizers, the effect of light, oxygen concentration, cell penetration, and dark-toxicity determines the overall effect of the photosensitizer on the cell; 9,10 hence, one has to be cautious in speaking about the efficiency of singlet oxygen production of a photosensitizer in a cell-culture experiment since the observed outcome is a cumulative result, namely cell death.In this work, we address the issue of direct monitoring of photosensitizer activity with the use of a singlet oxygen ( 1 O 2 ) labile linker between the fluorophore and a photosensitizer, where the former is an electronic energy transfer (EET) donor and the latter being an EET acceptor (Figure 1, BOD 2). The rationale behind the design is such that EET from the fluorophore (FL, blue module in Figure 1) to the photosensitizer (PS, green module on BOD 2) quenches the emission of the FL to a great extent. PS and FL are attached to one another with (Z)-1,2-bis(alkylthio)ethene bridge due to the fact that 1 O 2 susceptibility of this electron-rich olefinic linker is extensively exploited by us and others. 11−16 According to the design, 1 O 2 generated by the PS upon irradiation with red light is to act on the molecule itself and cleave the linker, liberating the fluorophore as a consequence. Fluorescence of the free FL is reinstated which is the reporter

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From Virtual to Physical: Integration of Chemical Logic Gates

Cited by 121 publications

References 68 publications

Theoretical Investigation of Linker Effects on New Designed Bodipy-Ferrocene Based Three Channels Calcium (II) Ion Sensors; as Redox, Colorimetric and Fluorescent Properties

Theoretical Investigation of Linker Effects on New Designed Bodipy-Ferrocene Based Three Channels Calcium (II) Ion Sensors; as Redox, Colorimetric and Fluorescent Properties

Cerium oxide nanoparticle: a remarkably versatile rare earth nanomaterial for biological applications

Toward Singlet Oxygen Delivery at a Measured Rate: A Self-Reporting Photosensitizer

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