Surface sum-frequency generation from chiral medium by elliptically polarized light beyond plane-wave approximation and coplanar geometry of incidence

Aiming to study the nonlinear response of the surface of isotropic chiral medium, we obtained analytical expression relating the transverse amplitudes of the spatial Fourier-spectra of two incident arbitrary polarized fundamental beams and one signal reflected beam at the sum-frequency within the first-order approximation by their divergence angles. The calculations, carried out in paraxial approximation, simultaneously take into account the spatial dispersion of the bulk of the medium, its near-surface heterogeneity and the transverse finiteness of the three interacting light beams with arbitrary amplitude profiles and orientation in space. A special compact form for the final formulas was found, which makes use of effective nonlinear transformation tensors, the components of which are solely determined by the geometry of incidence of the beams and the material constants of the medium. A possibility of ``switching off'' the certain mechanisms of nonlinear response by choosing the specific polarization states of the incident beams is discussed.

Improving Calibration Strategy for LIBS Heavy Metals Analysis in Agriculture Applications

A new calibration procedure, known as mapping conditional-calibration laser-induced breakdown spectroscopy (LIBS), has been suggested to improve analysis results for heterogeneous samples. The procedure is based on LIBS elemental mapping, followed by signal conditioning in every sampling spot to skip signal outliers, then by finalizing the calibration curve construction. The suggested mapping conditional calibration procedure was verified for zinc analysis in soybean grist samples. The laser parameters correspond to those of the hand-held LIBS instrument in order to estimate the influence of sample surface heterogeneity under on-site analysis conditions. The laser spot (60 μm) was equal to or smaller than the typical size of grist particles (40–500 μm) but laser crater dimensions were significantly greater and varied widely (150–450 μm). The LIBS mapping of different spectral signals (atomic and ionic lines for major and minor components) was achieved. Elemental maps were normalized to achieve signal maps that were conditionally spotted to skip signal outliers. It was demonstrated that the suggested mapping conditional-calibration LIBS provided 15 ppm RMSECV for zinc determination in heterogeneous samples, which is typical for agricultural products.

Synthesis, Characterization, and Application of Co-Al-Zn Layered Double Hydroxide/Hydrochar Composite for Simultaneous Removal of Cationic and Anionic Dyes

Decontamination of organic dyes from wastewater requires efficient and compatible materials that must be able to remove dyes with different charges at the same time. In this study, composites of layered double hydroxide (LDH) and hydrochar (HC) were prepared and tested for use as general-purpose sorbents for the simultaneous removal of cationic and anionic dyes (i.e., methylene blue (MB), methyl orange (MO), and reactive yellow (RY)). Characterization studies reveal that the surface functional groups on composites are –OH, NO3, M–O bonds. It was observed that crystallinity of LDH decreased with an increasing amount of HC. Preliminary experiments showed that the dyes (i.e., MB, MO, and RY) were well removed simultaneously onto the composite with HC (2.0 g HC/prepared composite). This composite was selected for more experiments, and the adsorption efficiency was optimized by the multivariate technique using the response surface methodology (RSM). Removal efficiency of 100% was obtained for all three dyes with an adsorption capacity of 243, 5.3, and 16.3 µmol g−1 for MB, MO, and RY, respectively. Elovich’s initial intake rates (α) were 4,272, 441, and 99.5 mg g−1 min−1 for RY, MB, and MO, respectively. Data fitted in various models suggested second-order multiplex kinetics, where the surface heterogeneity response was sorbate dependent.

Fibril Surface-Dependent Amyloid Precursors Revealed by Coarse-Grained Molecular Dynamics Simulation

Amyloid peptides are known to self-assemble into larger aggregates that are linked to the pathogenesis of many neurodegenerative disorders. In contrast to primary nucleation, recent experimental and theoretical studies have shown that many toxic oligomeric species are generated through secondary processes on a pre-existing fibrillar surface. Nucleation, for example, can also occur along the surface of a pre-existing fibril—secondary nucleation—as opposed to the primary one. However, explicit pathways are still not clear. In this study, we use molecular dynamics simulation to explore the free energy landscape of a free Abeta monomer binding to an existing fibrillar surface. We specifically look into several potential Abeta structural precursors that might precede some secondary events, including elongation and secondary nucleation. We find that the overall process of surface-dependent events can be described at least by the following three stages: 1. Free diffusion 2. Downhill guiding 3. Dock and lock. And we show that the outcome of adding a new monomer onto a pre-existing fibril is pathway-dependent, which leads to different secondary processes. To understand structural details, we have identified several monomeric amyloid precursors over the fibrillar surfaces and characterize their heterogeneity using a probability contact map analysis. Using the frustration analysis (a bioinformatics tool), we show that surface heterogeneity correlates with the energy frustration of specific local residues that form binding sites on the fibrillar structure. We further investigate the helical twisting of protofilaments of different sizes and observe a length dependence on the filament twisting. This work presents a comprehensive survey over the properties of fibril growth using a combination of several openMM-based platforms, including the GPU-enabled openAWSEM package for coarse-grained modeling, MDTraj for trajectory analysis, and pyEMMA for free energy calculation. This combined approach makes long-timescale simulation for aggregation systems as well as all-in-one analysis feasible. We show that this protocol allows us to explore fibril stability, surface binding affinity/heterogeneity, as well as fibrillar twisting. All these properties are important for understanding the molecular mechanism of surface-catalyzed secondary processes of fibril growth.

PIV measurements in a turbulent boundary layer overlying a spanwise heterogeneous roughness

In nature and engineering applications, wall-bounded flow often encounter a heterogeneous surface condition, such as the atmosphere boundary layer at the urban boundary and flow over riveted aircraft surfaces. In a particular scenario, when the surface heterogeneity is predominantly in the spanwise direction of the flow, this roughness heterogeneity can generate secondary flow in cross flow plane which is very different from smooth-wall or homogeneous rough-wall boundary layers.

Geodiversity impacts plant community structure in a semi-arid region

Geodiversity refers to the variety of geological and physical elements as well as to geomorphological processes of the earth surface. Heterogeneity of the physical environment has an impact on plant diversity. In recent years, the relations between geodiversity and biodiversity has gained attention in conservation biology, especially in the context of climate change. In this study, we assessed the spatial and temporal change in plant’s community structure in a semi-arid region, Sayeret Shaked Long Term Ecosystem Research (LTER) station, Israel. Vegetation surveys were conducted on different hillslopes, either with or without rock covers in order to study the spatial trends of hillslope geodiversity. The surveys were conducted for two consecutive years (2016 and 2017), of which the second year was drier and hotter and therefore permitted to investigate the temporal change of plant’s community structure. The results of the spatial trends show that (1) geodiversity increases vegetation biodiversity and promotes perennial plants and those of the temporal change show that (2) the positive effect of geodiversity on plants’ community structure and species richness is greater in the drier year than that in a wetter year. The main insight is that in these drylands, hillslopes with higher geodiversity appear to buffer the effect of drier years, and supported a more diverse plant community than lower geodiversity hillslopes.