Synthesis, structure, computational, antimicrobial and <i>in vitro</i> anticancer studies of copper(II) complexes with N,N,N′,N′-tetrakis(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine

<div><p>The present work consists of synthesis, structural characterization, spectral, density functional theory (DFT), antimicrobial, and anticancer studies of two copper(II) complexes, [Cu(THEEN)(DNB)](DNB) (<b>1</b>) and [Cu(TEAH₃)₂](DNB)₂ (<b>2</b>). In these complexes, THEEN is N,N,N′,N′-tetrakis(2-hydroxyethyl)ethylenediamine, a tetrapodal ligand, and TEAH₃ is tris(2-hydroxyethyl)amine, a tripodal ligand, and the counter-anion is 3,5-dinitrobenzoate (DNB⁻). X-ray crystallography studies reveal that both complexes have distorted octahedron geometries. DFT studies have been performed to calculate structural parameters, vibrational bands, and energy gaps of frontier orbital (HOMO-LUMO) with B3LYP/6–31G*/LANL2DZ level of theory using DMSO as solvent. The theoretical and crystallographic analyses are consistent. Antimicrobial studies have been performed with new copper(II) complexes against Gram(+) bacteria (<i>Staphylococcus aureus</i>), Gram(−) bacteria (<i>Serratia marcescens</i>, <i>Sphingobium japonicum,</i> and <i>Stenotrophomonas maltophilia</i>) and fungal species (<i>Candida albicans</i>, <i>Aspergillus niger,</i> and <i>Saccharomyces cerevisiae</i>). The copper(II) complexes have also shown <i>in vitro</i> cytotoxicity on MCF-7, HCT-116, and HL-60 human cell lines. This study demonstrates that <b>2</b> was active against MCF-7 cell lines with IC₅₀ of 23 μg/mL.</p></div

Carboxyl Group Enhanced CO Tolerant GO Supported Pt Catalysts: DFT and Electrochemical Analysis

The effect of residual oxygen species in as-prepared Pt nanoparticle on partially reduced graphene oxide (Pt/PRGO) and partially reduced carboxylated-GO (Pt/PR­(GO–COOH)) supports was investigated using electrochemical CO stripping and density functional theory (DFT) analysis. Pt/PRGO and Pt/PR­(GO–COOH) revealed a clear negative shift in CO-stripping onset potential compared to commercial Pt/carbon black. DFT analysis confirmed that the presence of a −COOH group provides the most resistance for CO adsorption. This CO-Pt binding energy is significantly lower than that observed in the presence of an −OH group, which is the most abundant oxygen group in carbon supports. The Pt-CO dissociation energies (on a 42-atom graphene sheet) in the presence of various oxygen groups, in descending order, were OH > CO ≈ C–O–C > COOH. Although single-bonded carbon–oxygen groups (−OH and C–O–C) are more abundant on the GO basal plane and play an important role in Pt nanoparticle nucleation and distribution on graphene sheets, the double-bonded carbon–oxygen (CO and COOH) groups are more abundant residual species post Pt nanoparticle growth and play a vital role in enhancing CO tolerance

Data from Figures in "Selection rules for cavity-enhanced Brillouin light scattering from magnetostatic modes"

<p>Data from figures in our paper "Selection rules for cavity-enhanced Brillouin light scattering from magnetostatic modes" in Physical Review Letters. The figures are in an Origin file (OriginPro 2016). Matlab code (R2016b) that can be used to generate plots of the magneto-static modes is also included.</p

Weighted unadjusted and mutually adjusted odds ratios (OR) for having Hepatitis C antibodies (anti-HCV), by participant characteristics and risk factors overall for adults aged 40–59 years old.

<p>Weighted unadjusted and mutually adjusted odds ratios (OR) for having Hepatitis C antibodies (anti-HCV), by participant characteristics and risk factors overall for adults aged 40–59 years old.</p

Weighted unadjusted and mutually adjusted odds ratios (OR) for having Hepatitis C antibodies (anti-HCV), by participant characteristics and risk factors, overall and stratified by urban/rural status.

<p>Weighted unadjusted and mutually adjusted odds ratios (OR) for having Hepatitis C antibodies (anti-HCV), by participant characteristics and risk factors, overall and stratified by urban/rural status.</p

Good optical transparency is not an essential requirement for effective solar water disinfection (SODIS) containers

The efficacy of 10 L polypropylene (PP) transparent jerry cans (TJCs) to inactivate E. coli, MS2-phage and Cryptosporidium parvum via solar water disinfection (SODIS) was tested in well water or general test water under natural sunlight. Food-safe PP was used to manufacture the TJCs and a clarifying agent was added to improve optical transparency in the UV–visible range. 10 L PP TJCs and 2 L polyethylene terephthalate (PET) bottles were filled with well water, spiked separately with (∼106 CFU/mL of E. coli, ∼106 PFU/mL of MS2 phage and 5 ×105C. parvum oocysts per litre) and exposed to natural sunlight for 6 h. While the 10 L PP TJC prototype had poorer transparency (UV-B 0.001%, UV-A 4.29%, and visible 92% for TJCs without clarifier and UV-B 1.36%, UV-A 8.01%, and visible 90.01% for TJCs with clarifier) than standard 2 L PET (UV-B 0.72%, UV-A 10–85%, and visible 80–90%); log reduction values (LRVs) > 5, 2 and 0.8 for E. coli, MS2-phage, and C. parvum, respectively, were observed for the TJCs within six hours respectively, which is a minimum standard for drinking water established by the World Health Organisation (WHO). We observed similar inactivation kinetics for all three organisms in PP TJCs and PET bottles despite the poorer optical transparency properties of the SODIS jerry cans. Therefore, for effective SODIS, container optical transparency is not as important as previously believed. We conclude that good visible transparency is not a necessary requirement for containers intended for SODIS use.</p

Prevalence of Hepatitis C antibodies by number of medical injections received in the last 6 months.

<p>Prevalence of Hepatitis C antibodies by number of medical injections received in the last 6 months.</p

Prevalence of Hepatitis C antibodies (95% confidence interval) by age category and sex.

<p>Prevalence of Hepatitis C antibodies (95% confidence interval) by age category and sex.</p

Good optical transparency is not an essential requirement for effective solar water disinfection (SODIS) containers

The efficacy of 10 L polypropylene (PP) transparent jerry cans (TJCs) to inactivate E. coli, MS2-phage and Cryptosporidium parvum via solar water disinfection (SODIS) was tested in well water or general test water under natural sunlight. Food-safe PP was used to manufacture the TJCs and a clarifying agent was added to improve optical transparency in the UV–visible range. 10 L PP TJCs and 2 L polyethylene terephthalate (PET) bottles were filled with well water, spiked separately with (∼106 CFU/mL of E. coli, ∼106 PFU/mL of MS2 phage and 5 ×105C. parvum oocysts per litre) and exposed to natural sunlight for 6 h. While the 10 L PP TJC prototype had poorer transparency (UV-B 0.001%, UV-A 4.29%, and visible 92% for TJCs without clarifier and UV-B 1.36%, UV-A 8.01%, and visible 90.01% for TJCs with clarifier) than standard 2 L PET (UV-B 0.72%, UV-A 10–85%, and visible 80–90%); log reduction values (LRVs) > 5, 2 and 0.8 for E. coli, MS2-phage, and C. parvum, respectively, were observed for the TJCs within six hours respectively, which is a minimum standard for drinking water established by the World Health Organisation (WHO). We observed similar inactivation kinetics for all three organisms in PP TJCs and PET bottles despite the poorer optical transparency properties of the SODIS jerry cans. Therefore, for effective SODIS, container optical transparency is not as important as previously believed. We conclude that good visible transparency is not a necessary requirement for containers intended for SODIS use.</p

Multi-wavelength afterglow observations of the high redshift GRB 050730

Context.GRB 050730 is a long duration high-redshift burst (z=3.967) that was discovered by Swift. The afterglow shows variability and was well monitored over a wide wavelength range. We present comprehensive temporal and spectral analysis of the afterglow of GRB 050730 including observations covering the wavelength range from the millimeter to X-rays. Aims.We use multi-wavelength afterglow data to understand the complex temporal and spectral decay properties of this high redshift burst. Methods.Five telescopes were used to study the decaying afterglow of GRB 050730 in the B, V, r', R, i', I, J and K photometric pass bands. A spectral energy distribution was constructed at 2.9 h post-burst in the B, V, R, I, J and K bands. X-ray data from the satellites Swift and XMM-Newton were used to study the afterglow evolution at higher energies. Results.The early afterglow shows variability at early times and the slope steepens at 0.1 days (8.6 ks) in the B, V, r', R, i', I, J and K passbands. The early afterglow light curve decayed with a powerlaw slope index $\alpha_1 = -0.60\pm0.07$ and subsequently steepened to $\alpha_2 = -1.71\pm0.06$ based on the R and I band data. A millimeter detection of the afterglow around 3 days after the burst shows an excess in comparison to theoretical predictions. The early X-ray light curve observed by Swift is complex and contains flares. At late times the X-ray light curve can be fit by a powerlaw decay with $\alpha_x = -2.5\pm0.15$ which is steeper than the optical light curve. A spectral energy distribution (SED) was constructed at ~2.9 h after the burst. An electron energy index, p, of ~2.3 was calculated using the SED and the photon index from the X-ray afterglow spectra and implies that the synchrotron cooling frequency $\nu_{\rm c}$ is above the X-ray band