Characterizing turbulence in globally coupled maps with stochastic finite automata

We describe a method to discriminate between ordered and turbulent behavior in a general class of collective systems known as Globally Coupled Maps (GCM). Our method is able to discover an unknown small ordered region inside the turbulent phase of GCM parameter space. The computational nature of the method is the main novelty of our approach; it is another example of how measures based on computational notions of structure may provide new information in the study of dynamical systems.     

Effects of ultrasound treatment on the morphological characteristics,structures and emulsifying properties of genipin cross-linked myofibrillar protein

Genipin is a natural crosslinker that improves the functional properties of proteins by modifying its structures. This study aimed to investigate the effects of sonication on the emulsifying properties of different genipin concentration-induced myofibrillar protein (MP) cross-linking. The structural characteristics, solubility, emulsifying properties, and rheological properties of genipin-induced MP crosslinking without sonication (Native), sonication before crosslinking (UMP), and sonication after crosslinking (MPU) treatments were determined, and the interaction between genipin and MP were estimated by molecular docking. The results demonstrated that hydrogen bond might be the main forces for genipin binding to the MP, and 0.5 μM/mg genipin was a desirable concentration for protein cross-linking to improve MP emulsion stability. Ultrasound treatment before and after crosslinking were better than Native treatment to improve the emulsifying stability index (ESI) of MP. Among the three treatment groups at the 0.5 μM/mg genipin treatment, the MPU treatment group showed the smallest size, most uniform protein particle distribution, and the highest ESI (59.89%). Additionally, the highest α-helix (41.96%) in the MPU + G5 group may be conducive to the formation of a stable and multilayer oil–water interface. Furthermore, the free groups, solubility, and protein exposure extent of the MPU groups were higher than those of UMP and Native groups. Therefore, this work suggests that the treatment of cross-linking followed by ultrasound (MPU) could be a desirable approach for improving the emulsifying stability of MP.     

Cu50Ni50合金快速凝固的分子动力学模拟

采用分子动力学模拟的方法研究了Cu₅₀Ni₅₀合金在不同冷却速度下的凝固过程,利用均方位移、径向分布函数和结构可视化等方法分析其微观结构.并对凝固模型进行拉伸模拟,通过应力应变曲线和直观结构变化分析其性能.研究表明：冷却速度对Cu₅₀Ni₅₀合金凝固形成的结构有较大影响,随着冷却速度的升高,凝固形成的结构中晶体含量减少,在较低的冷却速度下,如冷却1×10¹²K/s时,Cu₅₀Ni₅₀合金凝固形成晶体结构;在较高的冷却速度下,如1×10¹⁴K/s时,Cu₅₀Ni₅₀合金凝固形成非晶体结构,且非晶Cu₅₀Ni₅₀合金的抗拉性能要优于晶体Cu₅₀Ni₅₀合金.     

Photoluminescence of patterned arrays of vertically stacked InAs/GaAs quantum dots

We report on photoluminescence measurements of vertically stacked InAs/GaAs quantum dots grown by molecular beam epitaxy on focused ion beam patterned hole arrays with varying array spacing. Quantum dot emission at 1.24 eV was observed only on patterned regions, demonstrating preferential nucleation of optically active dots at desired locations and below the critical thickness for dot formation at these growth conditions. Photoluminescence measurements as a function of varying focused ion beam irradiated hole spacing showed that the quantum dot emission intensity increased with decreasing array periodicity, consistent with increasing dot density.     

Multimodal approach for diagnosis of bacterial etiology in brain abscess

Background and purpose

Proton magnetic resonance spectroscopy (PMRS) has high sensitivity and specificity for the detection of pyogenic brain abscess and the categorization of bacteria. But the metabolite patterns failed to evaluate the etiology of disease when the culture results are sterile. The aim of the present study is to compare the multimodality techniques viz., conventional culture, MR spectroscopy and 16S rRNA PCR and sequencing for rapid diagnosis of etiology in brain abscess and evaluate the PMRS in culture sterile samples and also demonstrate the sensitivity and specificity of these techniques.

Methods

Thirty five patients underwent MRI on a 3 T MRI and in-vivo PMRS for the diagnosis and evaluation of various resonances of metabolites such as lipid (LIP), lactate (LAC), acetate (AC), amino acid (AC), succinate (SUC). Pus was collected for identification of etiologic agents by culture and molecular method.

Results

In 35 samples, metabolite patterns were as follows: LIP/LAC/AA, n = 17, LIP/LAC/AA/SUC with or without AC, n = 17 and LIP/LAC/AA/AC, n = 1. Culture showed bacterial growth in 22 samples (18 aerobic/facultative anaerobic, 9 anaerobic) whereas molecular method was detected 26 aerobic/facultative anaerobic, 13 anaerobic, 4 microaerophilic bacteria. Among the 13 sterile samples, molecular method detected 16 microorganisms along with 3 mixed infections and PMRS recognized metabolite patterns as LIP/LAC/AA, n = 5 and LIP/LAC/AA/SUC with or without AC, n = 8. The sensitivity of in-vivo PMRS in sterile samples was 100% and 75%, and specificity was 75% and 100% for aerobic and anaerobic organisms respectively.

Conclusion

Based on metabolite resonances, PMRS can detect slow growing and fastidious organisms and classify them into aerobic and anaerobic bacteria which are difficult to culture by conventional method. It can categorize microorganisms even in culture sterile samples with rational sensitivity and specificity which may allow early choice of targeted therapy.     

Influence of pressure on the relative population of the two lowest vibrational levels of the C <Superscript>3</Superscript> Π<Subscript>u</Subscript> state of nitrogen for electron beam excitation

Continuous and pulsed 12 keV electron beams were used to excite nitrogen within a gas cell at pressures ranging from 10 to 1400 hPa. The pressure dependence of the ratio of photon fluxes for emission from vibrational levels v'=0 and 1 of the C ³Π _u state has been studied. The results confirm the presence of a collisional excitation mechanism populating v'=0, 1 in addition to electron impact excitation. Rate constants of (1.27 ±0.04)×10^-11 cm³s^-1 [ v'=0] and (2.68 ±0.08)×10^-11 cm³s^-1 [ v'=1] were measured for C ³Π _u quenching by ground state nitrogen. For electron beam conditions relative excitation efficiencies of 1:0.59:0.22 for vibrational levels 0, 1 and 2 were calculated. The recorded flux ratios are compared with the predictions given by a vibrational relaxation model.     

Surface effect on the coalescence of Pt clusters: A molecular dynamics study

We have performed molecular dynamics simulations for Pt_N + Pt_N → Pt_2N (N = 147, 324, 500,792), to investigate the effect of size and substrate on coalescence temperature. Our simulations show that platinum nanoclusters coalesce at the temperatures lower than the cluster melting point. The difference between coalescence and melting temperatures decreases with the increase in cluster size and presence of substrate. These thermal behaviors affect catalytical properties of nanoclusters and the substrate, as an environment, has major effect on activity of metal nanoclusters.     

Theoretical investigation of an acoustic wave in molecular magnets via electromagnetically induced transparency

Using the Schrödinger-Maxwell equations, we theoretically investigate the propagation properties of a transverse acoustic wave in a crystal of molecular magnets in the presence of two strong ac resonant magnetic fields and a weak acoustic wave. The acoustic wave can freely propagate in the magnetic molecule medium (under appropriate conditions) due to quantum interference. Furthermore, using the slowly varying envelope approximation, we discuss the propagation equation of the acoustic wave, which includes the high order nonlinear term. The results show that a crystal of molecular magnets can support the propagation of acoustic wave solitons via electromagnetically induced transparency. We also obtain the analytical expressions for the phase shift and absorption coefficient of the acoustic wave within certain parameters.     

Molecular dynamics and experimental studies on deposition mechanisms of ion beam sputtering

Molecular dynamics (MD) simulation and experimental methods are used to study the deposition mechanism of ionic beam sputtering (IBS), including the effects of incident energy, incident angle and deposition temperature on the growth process of nickel nanofilms. According to the simulation, the results showed that increasing the temperature of substrate decreases the surface roughness, average grain size and density. Increasing the incident angle increases the surface roughness and the average grain size of thin film, while decreasing its density. In addition, increasing the incident energy decreases the surface roughness and the average grain size of thin film, while increasing its density. For the cases of simulation, with the substrate temperature of 500 K, normal incident angle and 14.6 × 10⁻¹⁷ J are appropriate, in order to obtain a smoother surface, a small grain size and a higher density of thin film. From the experimental results, the surface roughness of thin film deposited on the substrates of Si(1 0 0) and indium tin oxide (ITO) decreases with the increasing sputtering power, while the thickness of thin film shows an approximately linear increase with the increase of sputtering power.     

Angle of incidence effects in a molecular solid

We investigate the influence of the angle of incidence on the sputter yield when bombarding molecular solid, benzene, with C₆₀. Our simulations show that at normal incidence, essentially all of the projectile energy is deposited into the substrate within ∼2.5 nm of the surface. However, at 75° incident angle, only 35% of the projectile energy is deposited within a depth of less than 1.5 nm of the surface while 65% of the projectile energy is reflected. Therefore, important aspects of the collision process which are dependent upon energy deposition, such as sputter yield, ejection depth, and molecule dissociation, may change as the incident angle changes.