The benchmark study of DFT methods on the activation energies of phosphodiester C3'-O and C5'-O bond ruptures and glycosidic C1'-N bond ruptures induced by electron attachment was performed. While conventional pure and hybrid functionals provide a relatively reasonable description for the C1'-N bond rupture, they significantly underestimate the energy barriers of the C-O bond ruptures. This is because the transition states of the later reactions, which are characterized by an electron distribution delocalized from the nucleobase to sugar-phosphate backbone, suffer from a severe self-interaction error in common DFT methods. CAM-B3LYP, M06-2X, and ωB97XD are the top three methods that emerged from the benchmark study; the mean absolute errors relative to the CCSD(T) values are 1.7, 1.9, and 2.2 kcal/mol, respectively. The C-O bond cleavages of 3'- and 5'-dXMP(•-), where X represents four nucleobases, were then recalculated at the M06-2X/6-31++G**//M06-2X/6-31+G* level, and it turned out that the C-O bond cleavages do not proceed as easily as previously predicted by the B3LYP calculations. Our calculations revealed that the C-O bonds of purine nucleotides are more susceptible than pyrimidine nucleotides to the electron attachment. The energies of electron attachment to nucleotides were calculated and discussed as well.
Highly sensitive and stable pH-sensing properties of an extended-gate field-effect transistor (EGFET) based on the aluminum-doped ZnO (AZO) nanostructures have been demonstrated. The AZO nanostructures with different Al concentrations were synthesized on AZO/glass substrate via a simple hydrothermal growth method at 85°C. The AZO sensing nanostructures were connected with the metal-oxide-semiconductor field-effect transistor (MOSFET). Afterwards, the current-voltage (I-V) characteristics and the sensing properties of the pH-EGFET sensors were obtained in different buffer solutions, respectively. As a result, the pH-sensing characteristics of AZO nanostructured pH-EGFET sensors with Al dosage of 3 at.% can exhibit the higher sensitivity of 57.95 mV/pH, the larger linearity of 0.9998, the smaller deviation of 0.023 in linearity, the lower drift rate of 1.27 mV/hour, and the lower threshold voltage of 1.32 V with a wider sensing range (pH 1 ~ pH 13). Hence, the outstanding stability and durability of AZO nanostructured ionic EGFET sensors are attractive for the electrochemical application of flexible and disposable biosensor.
Thin film transistors (TFTs) with amorphous silicon films crystallized via continuous-wave green laser at a wavelength of 532 nm exhibit very different electrical characteristics in various crystallization regions, corresponding to the Gaussian energy density distribution of the laser beam. In the center region subjected to the highest energy density, the full melting scheme led to the best crystallinity of the polycrystalline silicon film, resulting in the highest field-effect mobility of 500 cm2 V−1 s−1. In contrast, the edge region that resulted in solid phase crystallization exhibited the worst mobility of 48 cm2 V−1 s−1 for the polycrystalline silicon TFTs.
Hydrothermally synthesized aluminum-doped ZnO (AZO) nanostructures have been adopted in extended-gate field-effect transistor (EGFET) sensors to demonstrate the sensitive and stable pH and glucose sensing characteristics of AZO-nanostructured EGFET sensors. The AZO-nanostructured EGFET sensors exhibited the following superior pH sensing characteristics: a high current sensitivity of 0.96 µA1/2/pH, a high linearity of 0.9999, less distortion of output waveforms, a small hysteresis width of 4.83 mV, good long-term repeatability, and a wide sensing range from pHs 1 to 13. The glucose sensing characteristics of AZO-nanostructured biosensors exhibited the desired sensitivity of 60.5 µA·cm−2·mM−1 and a linearity of 0.9996 up to 13.9 mM. The attractive characteristics of high sensitivity, high linearity, and repeatability of using ionic AZO-nanostructured EGFET sensors indicate their potential use as electrochemical and disposable biosensors.
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