Theoretical investigation of adsorption characteristics of typical additives for zinc electroplating.

CONTEXT: Electroplated zinc layers have shown excellent corrosion resistance, especially those are stable in the atmosphere after the passivation, and therefore zinc electroplating is widely used in various fields such has mechanical, vehicle, construction, and ironware industries. Benzalacetone (BA) was reported as brighteners for zinc deposition, while polyoxyethylene nonylphenylether (NP) was used as levelers or carriers for zinc electroplating. Sodium benzoate (SB) and dispersant NNO cooperatively act as auxiliary additives. Quantum chemical parameters (QCPs) of four additives were calculated by using DFT, and MD simulations were performed. By comparing binding energies of four additives (benzalacetone (BA), sodium benzoate (SB), polyoxyethylene nonylphenylether (NP) and dispersant NNO), with Zn (001) surface, BA has the lowest binding energy, which is due to the lowest hardness parameter, and NNO has the highest binding energy, which is due to the highest dipole moment despite its small hardness parameter. METHODS: For DFT calculation, NWChem was employed, which uses the Gaussian basis set. The B3LYP functional was used for exchange-correlation interaction between electrons, and the 6-311G+ (d,p) basis sets were used for all the atoms. Solvation effect was considered by using COSMO (COnductor-like Screening MOdel), in which the dielectric constant of solvent was set to 78.54 of water. For dispersion correction, DFT-D method of Tkatchenko and Scheffler (TS) was used. MD simulations were performed by using GULP (General Utility Lattice Program) code with Dreiding forcefield and atomic Hirshfeld charges from DFT calculations. MD simulations were performed on the conditions of NVT ensemble with a step of 1 fs and simulation time of 500 ps at 298 K and 323 K. To consider solvation effect, 1,000 water molecules were inserted into the box.

Dual roles of CD40 on microbial containment and the development of immunopathology in response to persistent fungal infection in the lung.

Persistent pulmonary infection with Cryptococcus neoformans in C57BL/6 mice results in chronic inflammation that is characterized by an injurious Th2 immune response. In this study, we performed a comparative analysis of cryptococcal infection in wild-type versus CD40-deficient mice (in a C57BL/6 genetic background) to define two important roles of CD40 in the modulation of fungal clearance as well as Th2-mediated immunopathology. First, CD40 promoted microanatomic containment of the organism within the lung tissue. This protective effect was associated with: i) a late reduction in fungal burden within the lung; ii) a late accumulation of lung leukocytes, including macrophages, CD4+ T cells, and CD8+ T cells; iii) both early and late production of tumor necrosis factor-α and interferon-γ by lung leukocytes; and iv) early IFN-γ production at the site of T cell priming in the regional lymph nodes. In the absence of CD40, systemic cryptococcal dissemination was increased, and mice died of central nervous system infection. Second, CD40 promoted pathological changes in the airways, including intraluminal mucus production and subepithelial collagen deposition, but did not alter eosinophil recruitment or the alternative activation of lung macrophages. Collectively, these results demonstrate that CD40 helps limit progressive cryptococcal growth in the lung and protects against lethal central nervous system dissemination. CD40 also promotes some, but not all, elements of Th2-mediated immunopathology in response to persistent fungal infection in the lung.

Th2 but not Th1 immune bias results in altered lung functions in a murine model of pulmonary Cryptococcus neoformans infection.

Changes in airway dynamics have been reported in the rat model of pulmonary cryptococcosis. However, it is not known if Cryptococcus neoformans-induced changes in lung functions are related to the immunophenotype that develops in response to cryptococcal infection in the lungs. In this study we performed a parallel analysis of the immunophenotype and airway resistance (standard resistance of the airways [SRAW]) in BALB/c mice infected with highly virulent C. neoformans strain H99 and moderately virulent strain 52D. H99 infection evoked a Th2 response and was associated with increased SRAW, while the SRAW for 52D infection, which resulted in a predominantly Th1-skewed response, did not differ from the SRAW for uninfected mice. We found that an altered SRAW in mice did not positively or negatively correlate with the pulmonary fungal burden, the magnitude of inflammatory response, the numbers of T cells, eosinophils or eosinophil subsets, neutrophils, or monocytes/macrophages, or the levels of cytokines (interleukin-4 [IL-4], IL-10, gamma interferon, or IL-13) produced by lung leukocytes. However, the level of a systemic Th2 marker, serum immunoglobulin E (IgE), correlated significantly with SRAW, indicating that the changes in lung functions were proportional to the level of Th2 skewing in this model. These data also imply that IgE may contribute to the altered SRAW observed in H99-infected mice. Lung histological analysis revealed severe allergic bronchopulmonary mycosis pathology in H99-infected mice and evidence of protective responses in 52D-infected mice with well-marginalized lesions. Taken together, the data show that C. neoformans can significantly affect airflow physiology, particularly in the context of a Th2 immune response with possible involvement of IgE as an important factor.

Differential regulation by leukotrienes and calcium of Fc gamma receptor-induced phagocytosis and Syk activation in dendritic cells versus macrophages.

Macrophage (MØ) phagocytosis via the Fc receptor for immunoglobulin G (Fc gammaR) requires the spleen tyrosine kinase (Syk) and serves an important antimicrobial function. We have reported previously that Fc gammaR-mediated ingestion and Syk activation in MØ are amplified by and depend on the proinflammatory lipid mediator leukotriene B4 (LTB4). Although Fc gammaR-mediated ingestion is also important for antigen uptake, there is no information about LTB4 regulation of these processes in dendritic cells (DCs). In this study, we compared murine bone marrow (BM)-derived DCs to MØ from BM, peritoneum, and the pulmonary alveolar space. Neither phagocytosis nor Syk activation in DCs was influenced by exogenous LTB4. Unlike the various MØ populations, Syk activation in DCs was likewise unaffected by pharmacologic or genetic strategies to inhibit endogenous LTB4 synthesis or to block the high-affinity LTB4 receptor BLT1. DCs were refractory to regulation by LTB4 despite the fact that they expressed BLT1 and mobilized intracellular calcium in response to its ligation. This resistance to LTB4 in DCs instead reflected the fact that in contrast to MØ, Syk activation in DCs was itself entirely independent of calcium. These results identify a fundamental difference in Fc gammaR signaling between DCs and MØ, which may relate to the divergent, functional consequences of target ingestion in the two cell types.

Orbital Angular Momentum (OAM) of Rotating Modes Driven by Electrons in Electron Cyclotron Masers.

The well-defined orbital angular momentum (OAM) of rotating cavity modes operating near the cutoff frequency excited by gyrating electrons in a high-power electron cyclotron maser (ECM)-a gyrotron-has been derived by photonic and electromagnetic wave approaches. A mode generator was built with a high-precision 3D printing technique to mimic the rotating gyrotron modes for precise low-power measurements and shows clear natural production of higher-order OAM modes. Cold-test measurements of higher-order OAM mode generation promise the realization towards wireless long-range communications using high-power ECMs.

Remote detection of radioactive material using high-power pulsed electromagnetic radiation.

Remote detection of radioactive materials is impossible when the measurement location is far from the radioactive source such that the leakage of high-energy photons or electrons from the source cannot be measured. Current technologies are less effective in this respect because they only allow the detection at distances to which the high-energy photons or electrons can reach the detector. Here we demonstrate an experimental method for remote detection of radioactive materials by inducing plasma breakdown with the high-power pulsed electromagnetic waves. Measurements of the plasma formation time and its dispersion lead to enhanced detection sensitivity compared to the theoretically predicted one based only on the plasma on and off phenomena. We show that lower power of the incident electromagnetic wave is sufficient for plasma breakdown in atmospheric-pressure air and the elimination of the statistical distribution is possible in the presence of radioactive material.