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The extent of electronic wave function delocalization for the charge carrier (electron or hole) in double helical DNA plays an important role in determining the DNA charge transfer mechanism and kinetics. The size of the charge carrier's wave function delocalization is regulated by the solvation induced localization and the quantum delocalization among the π stacked base pairs at any instant of time. Using a newly developed localized orbital scaling correction (LOSC) density functional theory method, we accurately characterized the quantum delocalization of the hole wave function in double helical B-DNA. This approach can be used to diagnose the extent of delocalization in fluctuating DNA structures. Our studies indicate that the hole state tends to delocalize among 4 guanine-cytosine (GC) base pairs and among 3 adenine-thymine (AT) base pairs when these adjacent bases fluctuate into degeneracy. The relatively small delocalization in AT base pairs is caused by the weaker π-π interaction. This extent of delocalization has significant implications for assessing the role of coherent, incoherent, or flickering coherent carrier transport in DNA.Antimicrobial peptides (AMPs) have been an attractive alternative to traditional antibiotics. However, considerable efforts are needed to further enhance their antimicrobial effects and stability against bacterial degradation. Tetrahedral framework nucleic acids (tFNAs), a new class of three-dimensional nanostructures, have been utilized as a delivery vehicle. In this study, tFNAs were combined for the first time with an antimicrobial peptide GL13K, and the effects of the resultant complexes against Escherichia coli (sensitive to GL13K) and Porphyromonas gingivalis (capable of degrading GL13K) were investigated. tFNA-based delivery enhanced the effects of GL13K against E. coli. The tFNA vehicle both increased bacterial uptake and promoted membrane destabilization. Moreover, it enhanced the effects of GL13K against P. gingivalis by protecting the peptide against degradation in the protease-rich extracellular environment. Therefore, tFNA provides a delivery vehicle for AMPs targeting a broad range of disease.Photonics-based quantum information technologies require efficient, high emission rate sources of single photons. Position-controlled quantum dots embedded within a broadband nanowire waveguide provide a fully scalable route to fabricating highly efficient single-photon sources. However, emission rates for single-photon devices are limited by radiative recombination lifetimes. Here, we demonstrate a multiplexed single-photon source based on a multidot nanowire. Using epitaxially grown nanowires, we incorporate multiple energy-tuned dots, each optimally positioned within the nanowire waveguide, providing single photons with high efficiency. This linear scaling of the single-photon emission rate with number of emitters is demonstrated using a five-dot nanowire with an average multiphoton emission probability of less then 4% when excited at saturation. This represents the first ever demonstration of multiple single-photon emitters deterministically incorporated in a single photonic device and is a major step toward achieving GHz single-photon emission rates from a scalable multi-quantum-dot system.We show theoretically that carriers confined in semiconductor colloidal nanoplatelets (NPLs) sense the presence of neighbor, cofacially stacked NPLs in their energy spectrum. When approaching identical NPLs, the otherwise degenerate energy levels red-shift and split, forming (for large stacks) minibands that are several millielectronvolts in width. Unlike in epitaxial structures, the molecular behavior does not result from quantum tunneling but from changes in the dielectric confinement. The associated excitonic absorption spectrum shows a rich structure of bright and dark states, whose optical activity and multiplicity can be understood from reflection symmetry and Coulomb tunneling. We predict spectroscopic signatures that should confirm the formation of molecular states, whose practical realization would pave the way for the development of nanocrystal chemistry based on NPLs.We report the generation and spectroscopic study of hydrogen-rich DNA tetranucleotide cation radicals (GATC+2H)+• and (AGTC+2H)+•. The radicals were generated in the gas phase by one-electron reduction of the respective dications (GATC+2H)2+ and (AGTC+2H)2+ and characterized by collision-induced dissociation and photodissociation tandem mass spectrometry and UV-vis photodissociation action spectroscopy. Among several absorption bands observed for (GATC+2H)+•, the bands at 340 and 450 nm were assigned to radical chromophores. Time-dependent density functional theory calculations including vibronic transitions in the visible region of the spectrum were used to provide theoretical absorption spectra of several low-energy tetranucleotide tautomers having cytosine-, adenine-, and thymine-based radical chromophores that did not match the experimental spectrum. Instead, the calculations indicated the formation of a new isomer with the 7,8-H-dihydroguanine cation radical moiety. The isomerization involved hydrogen migration from the cytosine N-3-H radical to the C-8 position in N-7-protonated guanine that was calculated to be 87 kJ mol-1 exothermic and had a low-energy transition state. Although the hydrogen migration was facilitated by the spatial proximity of the guanine and cytosine bases in the low-energy (GATC+2H)+• intermediate formed by electron transfer, the reaction was calculated to have a large negative activation entropy. Rice-Ramsperger-Kassel-Marcus (RRKM) and transition state theory kinetic analysis indicated that the isomerization occurred rapidly in hot cation radicals produced by electron transfer with the population-weighed rate constant of k = 8.9 × 103 s-1. The isomerization was calculated to be too slow to proceed on the experimental time scale in thermal cation radicals at 310 K.Ga alloys have been attracting significant renewed attention for low-temperature bonding applications in electronic packaging. This study systematically investigates the interfacial reaction between liquid Ga and Cu-10Ni substrates at 30 °C. In addition to CuGa2 formed from binary Ga/Cu couples, a layer of nanocrystalline Ga5Ni and CuGa2 formed between the Cu-10Ni substrate and the blocklike micrometer scale CuGa2 layer. selleck The growth of interfacial intermetallics (IMCs) on the Cu-10Ni substrate was substantially accelerated compared to the IMC growth in binary Ga/Cu couples. Reaction kinetics study shows the IMC growth from the Cu-10Ni substrate was controlled by reaction and volume diffusion, while the IMC growth from the Cu substrate was controlled by volume diffusion. It is also found that the presence of Ni within the CuGa2 phase resulted in improved thermal stability and a smaller coefficient of thermal expansion during heating from 25 to 300 °C, using synchrotron XRD analysis. There was least thermal expansion anisotropy among most of the IMCs that form in conventional Sn-based solder alloys, including Cu6Sn5 and so forth.