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In addition, it is necessary to analyze the emission characteristics and chemical mechanism of various industries and to control O3 generation from the sources.Optical band gap of cross-linked, curved, and radical polyaromatic hydrocarbons.Cambridge, West Site, Philippa Fawcett Drive, Cambridge CB3 0AS, UK. Singapore (CARES), CREATE Tower, 1 Create Way, 138602, Singapore.Cambridge, West Site, Philippa Fawcett Drive, Cambridge CB3 0AS, UK. Cambridge, West Site, Philippa Fawcett Drive, Cambridge CB3 0AS, UK.

Singapore (CARES), CREATE Tower, 1 Create Way, 138602, Singapore and School of Chemical and Biomedical Engineering, Nanyang Technological University, West Site, Philippa Fawcett Drive, 62 Nanyang Drive, 637459, Singapore.In this work, the optical band gaps of polycyclic aromatic hydrocarbons (PAHs) crosslinked via an aliphatic bond, curved via pentagon integration and with radical character were computed using density functional theory. A variety of different functionals were benchmarked against optical band gaps (OBGs) measured by ultraviolet-visible spectroscopy with HSE06 being most accurate with a percentage error of 6% for a moderate basis set. Pericondensed aromatics with different symmetries were calculated with this improved functional providing new scaling relationships for the OBG versus size. Further calculations showed crosslinks cause a small decrease in the OBG of the monomers which saturates after 3-4 crosslinks. Curvature in PAHs was shown to increase the optical band gap due to the resulting change in hybridisation of the system, but this increase saturated at larger sizes. The increase in OBG between a flat PAH and a strained curved one was shown to be equivalent to a difference of several rings in size for pericondensed aromatic systems.

The effect of σ-radicals on the optical band gap was also shown to be negligible, however, π-radicals were found to decrease the band gap by ∼0 eV. These findings have applications in understanding the molecular species involved in soot formation.The roles of natural organic matter in chemical and microbial reduction of Although natural organic matter (NOM) is known to be redox reactive, the roles and effectiveness of specific functional groups of NOM in metal reduction are still a subject of intense investigation. This study entails the investigation of the Fe(III) reduction kinetics and capacity by three fractionated NOM subcomponents in the presence or absence of the dissimilatory metal reducing bacterium Shewanella putrefaciens CN32. Results indicate that NOM was able to reduce Fe(III) abiotically; the reduction was pH-dependent and varied greatly with different fractions of NOM. The polyphenolic-rich NOM-PP fraction exhibited the highest reactivity and oxidation capacity at a low pH (<4) as compared with the carbohydrate-rich NOM-CH fraction and a soil humic acid (soil HA) in reducing Fe(III). However, at a pH>4, soil HA showed a relatively high oxidation capacity, probably resulting from its conformational and solubility changes with an increased solution pH.

In Learn more of S. putrefaciens CN32, all NOM fractions were found to enhance the microbial reduction of Fe(III) under anaerobic, circumneutral pH conditions. Soil HA was found to be particularly effective in mediating the bioreduction of Fe(III) as compared with the NOM-PP or NOM-CH fractions. NOM-CH was the least effective because it was depleted in both aromatic and polyphenolic organic contents. However, because both soil HA and NOM-PP contain relatively high amounts of aromatic and phenolic compounds, results may indicate that low-molecular-weight polyphenolic organics in NOM-PP were less effective in mediating the bioreduction of Fe(III) at circumneutral pH than the high-molecular-weight polycondensed, conjugated aromatics present in soil HA. These research findings may shed additional light in understanding of the roles and underlying mechanisms of NOM reactions with contaminant metals, radionuclides, and other toxic chemicals in the natural environment.Comparison of diffraction patterns exposed by pulsed and CW lasers on Bakanas R, Jankauskaitė V, Bulanovs A, Zacharovas S, Vilkauskas A.

Two different grating formation geometries for recording onto the positive-tone photoresist with pulsed laser and continuous-wave sources are analyzed and compared. Diffraction efficiency measurements and atomic force microscopy (AFM) examination have been performed in order to investigate the optical and topographical properties of the recorded structures. View more patterned by a continuous-wave laser and by a pulsed laser working in the single pulse and multipulse regimes showed different surface roughness and optical properties. The possible reasons for surface roughness and effective exposure differences between gratings created with pulsed and continuous-wave laser radiations are discussed. The processing schemes for diffractive structures patterned by pulsed laser onto positive-tone photoresist for commercial hologram production are Morphological and biochemical effects of lonidamine on cultured Sertoli cells.