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81.
82.
Angle‐dependent light scattering by highly uniform colloidal rod‐shaped microparticles: Experiment and simulation 下载免费PDF全文
Roy Rotstein Aym Berges Samir Mitragotri Daniel E. Morse Martin Moskovits 《Journal of Polymer Science.Polymer Physics》2016,54(18):1889-1895
While extensive theoretical work has been devoted to analyzing scattering behavior for nonspherical particles, few experimental studies of the light‐scattering properties of such particles are available, largely because of the difficulty of synthesizing such particles with uniform geometries. Here we report the synthesis of highly uniform, volume‐equivalent rod‐shaped colloidal particles prepared from their commercial spherical counterparts, on which we performed light scattering experiments as a function of scattering angle for micro rods with varying aspect ratio and volume. These results were compared to values calculated using the T‐Matrix method. Good agreement with theoretical predictions was found for the experimentally measured scattering cross sections and the angular dependence of the scattering intensity. An increase in the forward scattering intensity is observed and predicted for particles with larger aspect ratios relative to their volume equivalent spheres, with only minor differences observed at both mid‐range and backscattering angles. Furthermore, the light scattering results for the rod‐shaped particles did not show the scattering fringes seen in scattering by the spheres, indicating that as three‐dimensional symmetry is broken, the associated Lorenz–Mie resonances are strongly attenuated. This observation also was predicted by theory. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016 , 54, 1889–1895 相似文献
83.
Investigation of N‐Heterocyclic Carbene‐Supported Group 12 Triflates as Pre‐catalysts for Hydrosilylation/Borylation 下载免费PDF全文
Matthew M. D. Roy Dr. Michael J. Ferguson Dr. Robert McDonald Prof. Dr. Eric Rivard 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(50):18236-18246
N‐Heterocyclic carbene (NHC) complexes of Cd and Hg triflates (OTf) were prepared and their attempted conversion into rare cadmium and mercury hydrides was explored. In contrast to zinc, which forms stable [ZnH]+ complexes with NHCs, the heavier Cd and Hg congeners could not be formed; the increased instability of Cd‐H and Hg‐H units was rationalized with the aid of computations. It was also discovered that the dimeric adduct [IPr?Cd(μ‐OTf)2]2 (IPr=[(HCNDipp)2C:]; Dipp=2,6‐iPr2C6H3) is an active precatalyst for the hydrosilylation and hydroborylation of hindered aldehydes and ketones. The related zinc congener was inactive as a catalyst highlighting a distinct advantage of using heavy Group 12 metals to promote catalytic hydrosilylation/borylation. 相似文献
84.
Metal recovery from low concentration solutions using a flow-by reactor under galvanostatic approach
A recently proposed method using constant current steps were applied for a period of time on a reticulated vitreous carbon cathode. The current steps were calculated from a theoretical analysis of the metal concentration profile assuming that the metal was deposited under mass transport control. A model was developed to predict the concentration decay of metal ions during the process. The current required to reduce the metal at the mass transfer limit at each time step was predicted from the concentration decay obtained from the model. This process should enable one to maintain high metal recovery rates whilst maximizing current efficiency. This concept was tested on Cu(II) deposition from an acidified sulfate electrolyte using a flowby reactor system with a reticulated vitreous carbon electrode. The model was good for predicting copper metal removal using a three dimensional cathode in dilute rinse waters. Also, the predicted current efficiency was in good agreement with that obtained using the experimental data. 相似文献
85.
Dipak Ghosh Madhumita Lahiri Argha Deb Susobhan Das Krishnadas Purkait Biswanath Biswas Jayanta Roy Choudhury Rini Chatterjee Abdul Kayum Jafry 《The European Physical Journal C - Particles and Fields》2011,71(1):243-249
The scaled factorial moments and the multifractal moments have been investigated in different??-intervals to study the dynamical fluctuation of pions produced in 200 AGeV32S-Ag/Br interaction. In order to investigate the detail characteristics of intermittency behaviour, theF-moments are extracted up to the eighth order of moments in differentM-intervals. The analysis indicates a non-thermal phase transition and different regime of particle production during the hadronisation process. 相似文献
86.
Epitaxial-Bain-Path and Uniaxial-Bain-Path studies reveal that a B2-CuZr nanowire with Zr atoms on the surface is energetically more stable compared to a B2-CuZr nanowire with Cu atoms on the surface. Nanowires of cross-sectional dimensions in the range of ~20–50 Å are considered. Such stability is also correlated with the initial state of stress in the nanowires. It is also demonstrated here that a more stable structure, i.e., B2-CuZr nanowire with Zr atoms at surface shows improved yield strength compared to B2-CuZr nanowire with Cu atoms at surface site, over range of temperature under both the tensile and the compressive loadings. Nearly 18% increase in the average yield strength under tensile loading and nearly 26% increase in the averaged yield strength under compressive loading are observed for nanowires with various cross-sectional dimensions and temperatures. It is also observed that the B2-CuZr nanowire with Cu atom at the surface site shows a decrease in failure/plastic strain with an increase in temperature. On the other hand, B2-CuZr nanowires with Zr at the surface site shows an improvement in failure/plastic strain, specially at higher temperature as compared to the B2-CuZr nanowires which are having Cu atoms at the surface site. Finally, a possible design methodology for an energetically stable nano-structure with improved thermo-mechanical properties via manipulating the surface atom configuration is proposed. 相似文献
87.
The infectious disease burden imposed by trypanosomatidae family continues to create burden in countries that are least equipped
to bring new medicines to the clinic. For sickness caused by this family of parasites (African trypanosomiasis, Chagas disease,
and leishmaniasis) no vaccines are available, and currently available drugs suffer from insufficient efficacy, excessive toxicity,
and steady loss of effectiveness due to resistance. Availability of the genome sequence of pathogens of this family offers
a unique avenue for the identification of novel common drug targets for all three pathogens. Sirtuin family of nicotinamide
adenine dinucleotide (NAD)-dependent deacetylases are remarkably conserved throughout evolution from archaebacteria to eukaryotes
and plays an important role in trypanosomatidae biology and virulence. In order to gain insight for selective drug design,
three-dimensional (3D) models of L. major, L. infantum, T. brucie, and T. cruzi sirtuin were constructed by homology modeling and compared with human sirtuin. The molecular electrostatic potentials and
cavity depth analysis of these models suggest that the inhibitor binding catalytic domain has various minor structural differences
in the active site of trypanosomal and human sirtuin, regardless of sequence similarity. These studies have implications for
designing effective strategies to identify inhibitors that can be developed as novel broad-spectrum antitrypanosomal drugs. 相似文献
88.
J. Premakumari G. Allan Gnana Roy A. Antony Muthu Prabhu G. Venkatesh V. K. Subramanian N. Rajendiran 《Journal of solution chemistry》2011,40(2):327-347
The spectral characteristics of 2,4-dihydroxyazobenzene (DHAB, sudan orange G) and 4-hydroxyazobenzene (HAB) have been studied
in various solvents, different hydrogen ion and β-cyclodextrin (β-CD) concentrations, and are compared with azobenzene (AB). The inclusion complexes of the above molecules with β-CD were analyzed by UV-vis spectrometry, flourometry, FT-IR, 1H NMR, SEM and DFT methods. The solvent study shows that only the azo form is present in DHAB and HAB molecules. The unusually
large red shift observed in acidic solutions indicates both molecules exhibit azo-hydrazo tautomerization. In the β-CD solutions, the increase in fluorescence intensity and large bathochromic shift in the S1 state indicates that DHAB and HAB form 2:2 inclusion complexes, whereas AB forms a 1:1 inclusion complex. 相似文献
89.
S. Biswas P. N. Pathak D. K. Singh S. B. Roy V. K. Manchanda 《Journal of Radioanalytical and Nuclear Chemistry》2011,289(2):557-564
The extraction of U(VI) from sulphate medium with 2-ethylhexyl phosphonic acid-mono-2-ethylhexyl ester (PC88A, H2A2 in dimeric form) in n-dodecane has been investigated under varying concentrations of sulphuric acid and uranium. Slope analysis of uranium (VI)
distribution data as a function of PC88A concentration suggests the formation of monomeric species, viz. UO2(HA2)2. This observation was further supported by the mathematical expression obtained during non-linear least square regression
analysis of U(VI) distribution data correlating the percentage extraction (%E) and the acidity (H
i). A mathematical model correlating the experimental distribution ratio values of U(VI) (D
U) with initial acidity (H
i) and initial uranium concentrations (C
i) was developed:
D\textU = 12.98( ±0.90)/{ C\texti - 0.75( ±0.05) ×[ H\texti ]2 } D_{\text{U}} = 12.98( \pm 0.90)/\left\{ {C_{\text{i}}^{ - 0.75( \pm 0.05)} \times \left[ {H_{\text{i}} } \right]^{2} } \right\} . This expression can be used to predict the concentration of uranium in organic as well as in aqueous phase at any C
i and H
i. The extraction data were used to calculate the conditional extraction constant (K
ex) values at different acidities (2–7 M H+), uranium (0.02–0.1 M) and PC88A (0.2–0.6 M) concentrations. These studies were also extended for the extraction of U(VI)
using synergistic mixtures of PC88A and TOPO from sulphate medium. 相似文献
90.
Mingjie Wen Xiru Cao Yongqi Zhang Meng Liang Tianlei Zhang Balaganesh Muthiah Ke Zhou Soumendra K. Roy Makroni Lily 《International journal of quantum chemistry》2020,120(23):e26389
A detailed theoretical study on the reaction mechanisms for the formations of H2O2 + 3O2 from the self-reaction of HO2 radicals under the effect of NH3, H3N···H2O, and H2SO4 catalysts was performed using the CCSD(T)/CBS//M06-2X/aug-cc-pVTZ method. The rate constant was computed using canonical variational transition state theory (CVT) with small curvature tunneling (SCT). Our results indicate that NH3-, H3N···H2O-, and H2SO4-catalyzed reactions could proceed through both one-step and stepwise routes. Calculated rate constants show that the catalyzed routes in the presence of the three catalysts all prefer stepwise pathways. Compared to the catalytic efficiency of H2O, the efficiencies of NH3, H3N···H2O, and H2SO4 are much lower due to their smaller relative concentrations. The present results have provided a definitive example of how basic and acidic catalysts influence the atmospheric reaction of HO2 + HO2 → H2O2 + 3O2. These results further encourage one to consider the effects of basic and acidic catalysts on the related atmospheric reactions. Thus, the present investigation should have broad implications in the gas-phase reactions of the atmosphere. 相似文献