Nanoparticle collisions in the gas phase in the presence of singular contact potentials

Collisional growth and ionization is commonplace for gas phase nanoparticles (i.e., in aerosols). Nanoparticle collisions in atmospheric pressure environments occur in the mass transfer transition regime, and further attractive singular contact potentials (which arise when modeling nanoparticles as condensed matter and for which the potential energy approaches -∞ when two entities contact) often have a non-negligible influence on collision processes. For these reasons collision rate calculations for nanoparticles in the gas phase are not straightforward. We use mean first passage time calculations to develop a simple relationship to determine the collision rate in the gas phase, accounting for the influences of both the transition regime and singular contact potentials (specifically the non-retarded van der Waals and image potentials). In the presented analysis, methods to determine the degree of enhancement in collision rate due to attractive singular potentials in the continuum (diffusive) regime, η(C), and the degree of enhancement in the free molecular (ballistic) regime, η(FM), are first reviewed. Accounting for these enhancement factors, with mean first passage time calculations it is found that the collision rate for gas phase nanoparticles with other gas phase entities can be determined from a relationship between the dimensionless collision rate coefficient, H, and the diffusive Knudsen number, Kn(D), i.e., the ratio of the mean collision persistence distance to the collision length scale. This coincides with the H(Kn(D)) relationship found to appropriately describe collisions between entities interacting via a hard-sphere potential, but with η(C) and η(FM) incorporated into the definitions of both H and Kn(D), respectively. The H(Kn(D)) relationship is compared to the predictions of flux matching theory, used prevalently in prior work for collision rate calculation, and through this comparison it is found that at high potential energy to thermal energy ratios, flux matching theory predictions underestimate the true collision rate. Finally, a series of experimental measurements of nanoparticle-nanoparticle collision rates are compared to the determined H(Kn(D)) expression, considering that nanoparticles interact via non-retarded van der Waals potentials. Very good agreement is found with collision rates inferred from experiments, with almost all measured values from four separate studies within 25% of model predictions.     

Experimental and GIAO 15N NMR study of substituent effects in 1H-tetrazoles

A series of 1-aryl/alkyl-1H-1,2,3,4-tetrazoles, 5-substituted 1H-tetrazoles, and 1,5- and 2,5-disubstituted 1H-tetrazoles were studied by a combination of experimental NMR (natural abundance (15)N, (15)N/(1)H HMBC, and (13)C) and computational GIAO-NMR techniques to explore substituent effects on (15)N (and (13)C) NMR chemical shifts in the tetrazole (TA) moiety. Computed (15)N chemical shifts via GIAO-B3LYP/6-311+G(2d,p) calculations gave satisfactory results in comparison with experimental data. Whereas N-alkylation leads to large (15)N chemical shift changes, changes in the N(1)-aryl derivatives bearing diverse substituent(s) are generally small except for polar ortho-substituents (COOH, NO(2)). Large Δδ(15)N values were computed in N(1)-aryl derivatives for p-COH(2)(+) and p-OMeH(+) as extreme examples of electron-withdrawing substituents on a TA moiety.     

Analysis of trace elements in blood sera of breast cancer patients by particle induced X-ray emission

Trace elemental imbalance in human beings is postulated to exert action, directly or indirectly, on the carcinogenic process. The objective of this study was to evaluate the levels of trace elements in blood sera of breast cancer patients and analyze their alteration with respect to healthy controls. This work was also intended to establish the role played by the trace elements in carcinogenic process. Particle induced X-ray emission (PIXE) technique was used for trace elemental analysis of blood sera of breast cancer patients and healthy controls. The PIXE measurements were carried out using a 2.5?MeV collimated proton beam from the 3 MV Tandem Pelletron accelerator at Institute of Physics, Bhubaneswar, India. On comparing the trace elemental content in the sera of breast cancer patients with those of control subjects, significant variations were observed in the levels of most of the trace elements. The serum levels of almost all the elements except Fe and Cu were observed to be depressed in cancer patients with respect to normal subjects. However, this variation was significant only for Ti (P?<?0.00005), Cr (P?<?0.005), Mn (P?<?0.0005), Ni (P?<?0.01), Zn (P?<?0.000001), and Se (P?<?0.05). On the other hand, significant elevations were observed in serum Fe (P?<?0.05) and Cu (P?<?0.005) levels in cancer patients. The findings presented in this paper give guidelines for future study into the possible roles and interactions of essential trace elements in the breast carcinogenic process.     

Purification of 233U from Thorium and Iron in the Reprocessing of Irradiated Thorium Oxide Rods

A two step precipitation using ammonium carbonate and oxalic acid as the precipitants for thorium and iron is developed for the purification of ²³³U. Ammonium carbonate is added to the feed to increase the pH of the solution. The effect of pH on the solubility of U, Th and Fe in an excess of ammonium carbonate is studied. This indicates that the solubility of Th and Fe is minimum at pH 7 and the recovery of uranium is maximum. The effect of the concentration of thorium and iron on the recovery of uranium at pH 7 is studied. This indicates that the ammonium carbonate precipitation tolerates 2 g/l of thorium and 10 g/l of iron keeping losses of uranium to a minimum. If the feed solution contains more than a tolerable concentration of thorium the precipitation is followed in two steps: (1) Bulk of the thorium is removed by oxalate precipitation, (2) the remaining thorium and iron in the supernatant are removed by ammonium carbonate precipitation. A flow sheet is proposed for the purification of ²³³U from thorium and iron present in a strip product concentrate obtained during the reprocessing of irradiated thorium rods.     

Crystallization of benzimidazole by solution growth method and its characterization

The potential organic NLO crystal of benzimidazole (BMZ) has been successfully grown by slow evaporation solution growth technique at room temperature. The crystalline perfection has been verified by High resolution X‐ray diffraction (HRXRD) analysis. The very low angle boundary obtained for this solution‐grown specimen may be attributed to the segregation of solvent molecules (methanol), which were entrapped within the crystal during growth. The laser damage threshold has been measured by using high intensity Q‐switched Nd:YAG laser. The observed value is greater than that of KDP and lesser than that of melt grown benzimidazole. The NLO efficiency has been determined and it is compared with the KDP crystal. The thermal behaviour has been assessed by TG/DTA analysis. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Etching and dielectric studies on L‐lysine monohydrochloride dihydrate single crystal

The nonlinear optical single crystals of L‐Lysine monohydrochloride dihydrate (L‐LMHCl) have been grown and examined by High‐resolution X‐ray diffraction and etching studies for their perfection. The vibrational frequencies have been identified by the micro‐Raman studies and the dielectric behaviour has been studied and the results are presented in detail. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Synthesis and characterization of 4,4′‐dihydroxy‐α‐methylstilbene crystal

4,4′‐dihydroxy‐α‐methylstilbene (DHAMS) was synthesized by condensation reaction with chloroacetone and phenol in the presence of concentrated sulfuric acid, and has been successfully grown by solution growth technique. This is the first report in the literature on the crystallization of DHAMS and exhibited the birefringent melt (liquid crystal property) of the optical properties. FTIR and FTNMR studies are in accordance with the structure. Good quality crystals were grown by slow evaporation technique by acetone as solvent. A transmission spectrum of the crystal was obtained in the region of 285 nm. The structural and optical properties were studied. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Investigations on the growth,optical behaviour and factor group of an NLO crystal: L‐alanine alaninium nitrate

Amino acid family crystals exhibit excellent nonlinear and electro‐optical properties. L‐alanine alaninium nitrate (LAAN) single crystal belonging to the amino acid group was grown by slow cooling solution growth technique. The High resolution X‐ray diffraction (HRXRD), Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, UV‐Vis., Photoluminescence (PL) and Factor group analyses were carried out. The factor group analysis reveals 183 internal vibrations for the title compound. The second harmonic generation property was tested by Kurtz‐Perry powder technique. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Synthesis and Characterization of a Novel Heterocyclic Schiff Base and Development of a Fluorescent Sensor for Vitamin B12

Journal of Fluorescence - A heterocyclic Schiff base (MPDPI)was synthesized by the condensation reaction of 1-phenylisatin with 4,5-dimethylphenylene diamine. It was characterized by using...     

Graphs with unavoidable subgraphs with large degrees

Let ??(n, m) denote the class of simple graphs on n vertices and m edges and let G ∈ ?? (n, m). There are many results in graph theory giving conditions under which G contains certain types of subgraphs, such as cycles of given lengths, complete graphs, etc. For example, Turan's theorem gives a sufficient condition for G to contain a K_{k + 1} in terms of the number of edges in G. In this paper we prove that, for m = αn², α > (k - 1)/2k, G contains a K_{k + 1}, each vertex of which has degree at least f(α)n and determine the best possible f(α). For m = ?n²/4? + 1 we establish that G contains cycles whose vertices have certain minimum degrees. Further, for m = αn², α > 0 we establish that G contains a subgraph H with δ(H) ≥ f(α, n) and determine the best possible value of f(α, n).