Spectroscopic properties of the low-lying electronic states and laser cooling feasibility for the SrI molecule

Laser cooling of a molecule with heavy nuclei is often complicated because of the density distribution of the electronic states. Here, we evaluate the feasibility of the laser cooling of the SrI molecule by calculating the potential energy curves and transition dipole moments of the ground and low-lying excited states using the multi-reference configuration interaction plus Davidson corrections (MRCI + Q) and the all-electron basis sets of ANO-RCC. The relativistic effect and the spin-orbit coupling splits are included, because both Sr and I are heavy atoms. Based on the obtained potential energy curves, we solve the Schrödinger equation of nuclear motion to determine the rovibrational energy levels and the Franck-Condon factors. The spectroscopic parameters are obtained by fitting the rovibrational energy levels with the Dunham expression. The radiation lifetimes, the Doppler and recoil temperatures between the X²Σ⁺ and the ²Π_1/2/²Π_3/2/B²Σ⁺ states are calculated. 5-color laser cooling schemes for the molecule are proposed, which can lead to the total effective Franck-Condon factors being 0.99983, 0.99979, and 0.99941 for the three transitions, respectively. All the obtained results suggest that the SrI molecule is a feasible candidate for laser cooling.     

The kinetics of β and γ band quenching in the nitric oxide afterglow

The kinetic behaviours of nitric oxide β and γ band emission intensities associated with combination of N(⁴S) + O(³P) atoms in a discharge-flow system have been examined. Partial replacement of the N₂ carrier with CO₂, O₂, N₂O and H₂O produced quenching behaviour consistent with direct interaction with the emitting states NO(B²Π) (ν′ = 0, 1, 2, 3) and NO(A²∑⁺) (ν′ = 0) as the only effective processes induced. From linear Stern—Volmer-type plots ratios of the quenching rate constant to the radiative rate constant (k_Q/k_R)/10⁴ dm³ mol⁻¹ were found to be as follows at 298 K:

Where determinations by other methods were available, the values compared well. In addition unchanged values within the experimental error limits were found for all the above states for O₂ at 195 K. Nitrogen quenched NO(B²Π) (ν′ = 3) with (k_Q/k_R)/10⁴ dm³ mol⁻¹ equal to 0.28 ± 0.01 at 298 K and 0.40 ± 0.05 at 195 K.A range of identities of the quenching processes was considered.     

A novel chaotic image encryption scheme using DNA sequence operations

In this paper, we propose a novel image encryption scheme based on DNA (Deoxyribonucleic acid) sequence operations and chaotic system. Firstly, we perform bitwise exclusive OR operation on the pixels of the plain image using the pseudorandom sequences produced by the spatiotemporal chaos system, i.e., CML (coupled map lattice). Secondly, a DNA matrix is obtained by encoding the confused image using a kind of DNA encoding rule. Then we generate the new initial conditions of the CML according to this DNA matrix and the previous initial conditions, which can make the encryption result closely depend on every pixel of the plain image. Thirdly, the rows and columns of the DNA matrix are permuted. Then, the permuted DNA matrix is confused once again. At last, after decoding the confused DNA matrix using a kind of DNA decoding rule, we obtain the ciphered image. Experimental results and theoretical analysis show that the scheme is able to resist various attacks, so it has extraordinarily high security.     

Band gap engineering in silicene: A theoretical study of density functional tight-binding theory

In this work, we performed first principles calculations based on self-consistent charge density functional tight-binding to investigate different mechanisms of band gap tuning of silicene. We optimized structures of silicene sheet, functionalized silicene with H, CH₃ and F groups and nanoribbons with the edge of zigzag and armchair. Then we calculated electronic properties of silicene, functionalized silicene under uniaxial elastic strain, silicene nanoribbons and silicene under external electrical fields. It is found that the bond length and buckling value for relaxed silicene is agreeable with experimental and other theoretical values. Our results show that the band gap opens by functionalization of silicene. Also, we found that the direct band gap at K point for silicene changed to the direct band gap at the gamma point. Also, the functionalized silicene band gap decrease with increasing of the strain. For all sizes of the zigzag silicene nanoribbons, the band gap is near zero, while an oscillating decay occurs for the band gap of the armchair nanoribbons with increasing the nanoribbons width. At finally, it can be seen that the external electric field can open the band gap of silicene. We found that by increasing the electric field magnitude the band gap increases.     

Construction and application of photoresponsive smart nanochannels

In living organisms, many biological processes are inextricably linked with light, such as the photosynthesis systems and rhodopsin. Hence, construction of light-sensitive biomimetic-nanochannels, which can realize the functions of cells and other membrane structures with high degree of spatial and temporal control, is particularly attractive and challenging. As a cornerstone of light-sensitive nanochannels, the photoresponsive materials are a big family and at their mature stage after several decades of development, which can provide different strategies to construct biomimetic photoresponsive nanochannels. In this review, we mainly summarize the construction and applications of photoresponsive nanochannels on the basis of various photoresponsive materials. The construction of photoresponsive nanochannels can be classified into four categories: photoresponsive inorganic nanochannels based on inorganic-compound-based photonic sensitive materials; photoresponsive organic nanochannels based on organic-compound-based photonic sensitive materials; photoresponsive polymers nanochannel based on photoresponsive polymers materials and potential photoresponsive nanochannels based on other photoresponsive materials. After introducing the construction of photoresponsive nanochannels, the review highlights some of the most recent applications of photoresponsive nanochannels in separation, energy conversion and storage, drug delivery and so on.     

Microscopic multi-point temperature sensing based on microfiber double-knot resonators

A novel fiber-optic sensor structure fabricated by cascading two optical microfiber knot resonators (MKRs) is proposed and demonstrated in this paper. A theoretical model for describing the principle of the sensing structure is given and its temperature responses are characterized experimentally. Experimental results show that high-precision and simultaneous multi-point temperature sensing in micro-scale can be achieved. Such a sensing structure also has the potential for achieving dual-parameter measurement to eliminate the cross-talk between two parameters in micro-scale.     

Coherent electron transport in a helical nanotube

The quantum dynamics of carriers bound to helical tube surfaces is investigated in a thin-layer quantization scheme. By numerically solving the open-boundary Schrödinger equation in curvilinear coordinates, geometric effect on the coherent transmission spectra is analysed in the case of single propagating mode as well as multimode. It is shown that, the coiling endows the helical nanotube with different transport properties from a bent cylindrical surface. Fano resonance appears as a purely geometric effect in the conductance, the corresponding energy of quasibound state is obviously influenced by the torsion and length of the nanotube. We also find new plateaus in the conductance. The transport of double-degenerate mode in this geometry is reminiscent of the Zeeman coupling between the magnetic field and spin angular momentum in quasi-one-dimensional structure.     

Eigenspace-based minimum variance beamformer combined with Wiener postfilter for medical ultrasound imaging

In this paper, a new beamformer which combines the eigenspace-based minimum variance (ESBMV) beamformer with the Wiener postfilter is proposed for medical ultrasound imaging. The primary goal of this work is to further improve the medical ultrasound imaging quality on the basis of the ESBMV beamformer. In this method, we optimize the ESBMV weights with a Wiener postfilter. With the optimization of the Wiener postfilter, the output power of the new beamformer becomes closer to the actual signal power at the imaging point than the ESBMV beamformer. Different from the ordinary Wiener postfilter, the output signal and noise power needed in calculating the Wiener postfilter are estimated respectively by the orthogonal signal subspace and noise subspace constructed from the eigenstructure of the sample covariance matrix.We demonstrate the performance of the new beamformer when resolving point scatterers and cyst phantom using both simulated data and experimental data and compare it with the delay-and-sum (DAS), the minimum variance (MV) and the ESBMV beamformer. We use the full width at half maximum (FWHM) and the peak-side-lobe level (PSL) to quantify the performance of imaging resolution and the contrast ratio (CR) to quantify the performance of imaging contrast. The FWHM of the new beamformer is only 15%, 50% and 50% of those of the DAS, MV and ESBMV beamformer, while the PSL is 127.2 dB, 115 dB and 60 dB lower. What is more, an improvement of 239.8%, 232.5% and 32.9% in CR using simulated data and an improvement of 814%, 1410.7% and 86.7% in CR using experimental data are achieved compared to the DAS, MV and ESBMV beamformer respectively. In addition, the effect of the sound speed error is investigated by artificially overestimating the speed used in calculating the propagation delay and the results show that the new beamformer provides better robustness against the sound speed errors. Therefore, the proposed beamformer offers a better performance than the DAS, MV and ESBMV beamformer, showing its potential in medical ultrasound imaging.     

Thermodynamic evaluation and optimization of the (NaF + AlF3 + CaF2 + BeF2 + Al2O3 + BeO) system

A complete critical evaluation of all available phase diagram and thermodynamic data has been performed for all condensed phases and relevant gaseous species of the (NaF + AlF₃ + CaF₂ + BeF₂ + Al₂O₃ + BeO) system, and optimized model parameters have been found. The (NaF + AlF₃ + CaF₂ + Al₂O₃) subsystem, which is the base electrolyte used for the electro-reduction of alumina in Hall–Héroult cells, has been critically evaluated in a previous article. The Modified Quasichemical Model in the Quadruplet Approximation for short-range ordering was used for the molten salt phase. The thermodynamic database developed is a first step towards a quantitative study of the beryllium mass balance in an electrolysis cell. In particular, the predominant Be-containing species in the gas phase evolved at the anode were identified; and, for a given beryllium content of the alumina, the beryllium content of the electrolytic bath at steady state was assessed under several approximations.     

TargetATPsite: A template‐free method for ATP‐binding sites prediction with residue evolution image sparse representation and classifier ensemble

Understanding the interactions between proteins and ligands is critical for protein function annotations and drug discovery. We report a new sequence‐based template‐free predictor (TargetATPsite) to identify the Adenosine‐5′‐triphosphate (ATP) binding sites with machine‐learning approaches. Two steps are implemented in TargetATPsite: binding residues and pockets predictions, respectively. To predict the binding residues, a novel image sparse representation technique is proposed to encode residue evolution information treated as the input features. An ensemble classifier constructed based on support vector machines (SVM) from multiple random under‐samplings is used as the prediction model, which is effective for dealing with imbalance phenomenon between the positive and negative training samples. Compared with the existing ATP‐specific sequence‐based predictors, TargetATPsite is featured by the second step of possessing the capability of further identifying the binding pockets from the predicted binding residues through a spatial clustering algorithm. Experimental results on three benchmark datasets demonstrate the efficacy of TargetATPsite. © 2013 Wiley Periodicals, Inc.