Operation of electro-optically Q-switched Nd:LuAG laser at 1064 nm

We present the operation of a diode-pumped high-power electro-optically Q-switched 4 W Nd:LuAG laser operating at 1064 nm. At an absorbed optical power of 20 W, the laser described provides a maximum output of 3.5 W average power at a repetition rate of 50 Hz. The output varies up to a factor of 1.3% for about 1 h operation with a peak power of 280 kW, with the laser beam quality in the TEM00 mode.     

Catalytic Asymmetric Epoxidation of Aldehydes with Two VANOL‐Derived Chiral Borate Catalysts

A highly diastereo‐ and enantioselective method for the epoxidation of aldehydes with α‐diazoacetamides has been developed with two different borate ester catalysts of VANOL. Both catalytic systems are general for aromatic, aliphatic, and acetylenic aldehydes, giving high yields and inductions for nearly all cases. One borate ester catalyst has two molecules of VANOL and the other only one VANOL. Catalysts generated from BINOL and VAPOL are ineffective catalysts. An application is shown for access to the side‐chain of taxol.     

Martini coarse-grained model for polyethylenimine

As a polycation with diverse applications in biomedical and environmental engineering, polyethylenimine (PEI) can be synthesized with varying degrees of branching, polymerization, and can exist in different protonation states. There have been some interests in molecular modeling of PEI at all-atom or coarse-grained (CG) levels, but present CG models are limited to linear PEIs. Here we present the methodology to systematically categorize bond lengths, bond angles and dihedral angles, which allows us to model branched PEIs. The CG model was developed under the Martini scheme based on eight ~600 Da PEIs, with four different degree of branching at two different protonation states. Comparison of the CG model with all-atom simulations shows good agreement for both local (distributions for bonded interactions) and global (end-to-end distance, radius of gyration) properties, with and without salt. Compatibility of the PEI model with other CG bio-molecules developed under the Martini scheme will allow for large-scale simulations of many PEI-enabled processes. © 2018 Wiley Periodicals, Inc.     

Rapid reductive degradation of dye contaminated water by using a core-shell nano zerovalent iron (nZVI)

We report on the synthesis of zero valent iron nano particles (nZVI) via chemical reduction method. The large peak visible in the XRD pattern reveals the presence of an amorphous phase of iron. SEM and TEM images signify the dendritic morphology and core-shell-like structure of manufactured nZVI particles respectively. Methylene blue dye (MB) was used as model contaminant to assess the reductive degradation proficiency of nZVI. With complete elimination of MB, the fresh synthesized nZVI exhibited the best performance (97%), while the regenerated nZVI had an 85.1% MB removal efficiency after five regenerations. The equilibrium data of adsorption were fitted to eight different kinetic and isothermal models. The effects of critical operating factors such as pH, varied amounts of nZVI and dye concentration, adsorption temperature, and adsorption time were also studied. A presumptive reaction mechanism and function of core-shell construction in contaminant sequestration has also been investigated.     

Synthesis and Single Crystal X-ray Studies of 3-(3,5-Bis(trifluoromethyl)phenyl) Quinoline and 3-(4-Fluoro-3-methylphenyl) Quinoline

The title compounds 3-(3,5-bis(trifluoromethyl)phenyl)quinoline(1) and 3-(4-fluoro-3-methylphenyl)quinoline(2) were synthesized through Suzuki-Miyaura Cross coupling reaction of 3-bromoquinoloine with aryl boronic acids.The title compounds were characterized by single-crystal X-ray diffraction,1H NMR,13C NMR,EI-MS,elemental analysis and IR.The crystals of 3-(3,5-bis(trifluoromethyl)phenyl)quinoline(C17H9F6N,Mr = 341.25) belongs to the monoclinic system,space group P21n,a = 12.3072(13),b = 4.9378(6),c = 24.493(2) ,V = 1473.1(3) 3,Z = 4,Dc = 1.539 Mg m-3,λ = 0.71073 ,μ = 0.144 mm-1,F(000) = 688,the final R = 0.0715 and wR = 0.1873 for 1875 observed reflections with I 2σ(I) and the crystal of 3-(4-fluoro-3-methylphenyl)quinoline(C16H12FN,Mr = 237.27) belongs to the orthorhombic system,space group Pca21,a = 23.794(2),b = 3.9094(3),c = 25.669(2) ,V = 2387.7(4) 3,Z = 8,Dc = 1.320 Mg m-3,λ = 0.71073 ,μ = 0.088 mm-1,F(000) = 992,the final R = 0.0534 and wR = 0.1188 for 2270 observed reflections with I 2σ(I).     

Mechanism for CuPt-type ordering in mixed III–V epitaxial layers

A model is proposed to rationalize the occurence of CuPt-type ordering in mixed III–V epitaxial layers grown on (001) substrates. It is invoked that 2× surface reconstruction occuring on group V terminated (001) surfaces produces dilated and compressed regions in sub-surface layers. The presence of these regions biases the occupation of certain sites during the growth of a layer consisting of atoms differing in their tetrahedral radii. By assuming that the reconstruction always occurs at the growing surface, it is possible to explain the evolution of CuPt-type ordering in epitaxial layers. Also, based on the model, experimental observations pertaining to the influence of growth conditions, surface misorientation and steps on ordering can be rationalized.     

Maximizing the descent statistic

For a subsetS, let the descent statistic (S) be the number of permutations that have descent setS. We study inequalities between the descent statistics of subsets. Each subset (and its complement) is encoded by a list containing the lengths of the runs. We define two preorders that compare different lists based on the descent statistic. Using these preorders, we obtain a complete order on lists of the form (k ⁱ ,P,k ^n–i , whereP is a palindrome, whose first entry is larger thank. We prove a conjecture due to Gessel, which determines the list that maximizes the descent statistic, among lists of a given size and given length. We also have a generalization of the boustrophedon transform of Millar, Sloane and Young.     

Poisson's effects in electrical field flow fractionation

Recent and earlier models of electrical field flow fractionation (ELFFF) have assumed that the electric field within the fluid domain is governed by Laplace's equation. This assumption results in a linear potential and a spatially constant field across the channel and is generally true for very dilute systems and relatively high effective potentials. Experimental studies show, however, that the effective potential within the channel may be less than 1% of the applied potential; this is apparently due to double layer formation and charge buildup at the poles. In such cases, local analyte concentrations can, nonetheless, be orders of magnitude higher than the bulk mean and the local potential small, both of which can lead to a nonlinear spatial distribution of the field strength. In such cases Poisson's equation must be used rather than Laplace's equation. Steady-state ELFFF simulations were performed using a Poisson's equation-based model. The domain in which Laplace's equation is valid was identified and the effects of concentration and effective field strength on device performance were explored.     

Reproducible SERRS from structured gold surfaces

Metallic substrates with ordered spherical cavities have been shown to be very effective for surface-enhanced Raman scattering (SERS) and can be fabricated reproducibly using electrodeposition. The sensitivity of detection is increased by several orders of magnitude by using surface-enhanced resonance Raman scattering (SERRS). In this report we demonstrate SERRS for the first time on electrodeposited gold films templated with colloidal spheres and demonstrate the reproducibility of the response. We also obtain a direct comparison between SERRS and SERS by choosing two dyes, Cy5 and Cy3, which are similar in structure but differ in their excitation maxima, such that one is resonant and the other non-resonant with our laser excitation. As expected, the resonant enhancement is found to be of the order of 10(3) over and above that for SERS. The net SERRS enhancements are shown to be of the order of 10(9). We also find that the resonant enhancement profile of the different peaks for the chromophore follows the plasmonic resonance absorption spectrum obtained for the structured surface.