Influence of the sodium/proton replacement on the structural, morphological and photocatalytic properties of titanate nanotubes

Titanate nanotubes (TNT) with different sodium contents have been synthesised using a hydrothermal approach and a swift and highly controllable post-washing processes. The influence of the sodium/proton replacement on the structural and morphological characteristics of the prepared materials was analysed. Different optical behaviour was observed depending on the Na+/H+ samples' content. A band gap energy of 3.27\pm0.03 eV was estimated for the material with higher sodium content while a value of 2.81\pm0.02 eV was inferred for the most protonated material, which therefore exhibits an absorption edge in the near visible region. The point of zero charge of the materials was determined and the influence of the sodium content on the adsorption of both cationic and anionic organic dyes was studied. The photocatalytic performance of the TNT samples was evaluated in the rhodamine 6G degradation process. Best photodegradation results were obtained when using the most protonated material as catalyst, although this material has shown the lowest R6G adsorption capability.Comment: 22 pages, 8 figures, accepted for publication in Journal of Photochemistry and Photobiology A: Chemistr

Dimensional Crossover of Dilute Neon inside Infinitely Long Single-Walled Carbon Nanotubes Viewed from Specific Heats

A simple formula for coordinates of carbon atoms in a unit cell of a single-walled nanotube (SWNT) is presented and the potential of neon (Ne) inside an infinitely long SWNT is analytically derived under the assumption of pair-wise Lennard-Jones potential between Ne and carbon atoms. Specific heats of dilute Ne inside infinitely long (5, 5), (10, 10), (15, 15) and (20, 20) SWNT's are calculated at different temperatures. It is found that Ne inside four kinds of nanotubes exhibits 3-dimensional (3D) gas behavior at high temperature but different behaviors at low temperature: Ne inside (5, 5) nanotube behaves as 1D gas but inside (10, 10), (15, 15), and (20, 20) nanotubes behaves as 2D gas. Furthermore, at ultra low temperature, Ne inside (5, 5) nanotube still displays 1D behavior but inside (10, 10), (15, 15), and (20, 20) nanotubes behaves as lattice gas.Comment: 10 pages, 5 figure

Density-functional embedding using a plane-wave basis

The constrained electron density method of embedding a Kohn-Sham system in a substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454 (1991) and T.A. Wesolowski and A. Warshel, J. Phys. Chem {\bf 97}, 8050 (1993)) is applied with a plane-wave basis and both local and non-local pseudopotentials. This method divides the electron density of the system into substrate and embedded electron densities, the sum of which is the electron density of the system of interest. Coupling between the substrate and embedded systems is achieved via approximate kinetic energy functionals. Bulk aluminium is examined as a test case for which there is a strong interaction between the substrate and embedded systems. A number of approximations to the kinetic-energy functional, both semi-local and non-local, are investigated. It is found that Kohn-Sham results can be well reproduced using a non-local kinetic energy functional, with the total energy accurate to better than 0.1 eV per atom and good agreement between the electron densities.Comment: 11 pages, 4 figure

An Adaptive Optics Census of Companions to Northern Stars Within 25 pc with Robo-AO

In order to assess the multiplicity statistics of stars across spectral types and populations in a volume-limited sample, we censused nearby stars for companions with Robo-AO. We report on observations of 1157 stars of all spectral types within 25 pc with decl. >-13° searching for tight companions. We detected 154 companion candidates with separations ranging from ∼0.″15 to 4.″0 and magnitude differences up to "m i′≤7 using the robotic adaptive optics instrument Robo-AO. We confirmed physical association from Gaia EDR3 astrometry for 53 of the companion candidates, 99 remain to be confirmed, and two were ruled out as background objects. We complemented the high-resolution imaging companion search with a search for comoving objects with separations out to 10,000 au in Gaia EDR3, which resulted in an additional 147 companions registered. Of the 301 total companions reported in this study, 49 of them are new discoveries. Out of the 191 stars with significant acceleration measurements in the Hipparcos-Gaia catalog of accelerations, we detect companions around 115 of them, with the significance of the acceleration increasing as the companion separation decreases. From this survey, we report the following multiplicity fractions (compared to literature values): 40.9% ± 3.0% (44%) for FGK stars and 28.2% ± 2.3% (27%) for M stars, as well as higher-order fractions of 5.5% ± 1.1% (11%) and 3.9% ± 0.9% (5%) for FGK stars and M-type stars, respectively

Photoinduced transformation of waste-derived soluble bio-based substances

[EN] Waste-derived, soluble bin-based substances (SBO), are effective low-cost photosensitizers that could find application in pollutant photodegradation. For this reason, it is important to understand if and to what extent irradiation could modify their properties. The exposure of SBO to simulated sunlight induced important spectral and structural modifications. Both the whole material and its acid-soluble fraction were characterized, highlighting several properties in common with humic and fulvic substances, including absorption spectra, specific absorbance and fluorescence behavior. The latter was described with a three-component model using PARAFAC analysis. Irradiation induced SBO photobleaching, but the absorbance of the acid-soluble fraction increased with irradiation. This finding suggests a progressive photochemical solubilization of SBO, which is confirmed by the increase of the carboxylic groups. In addition to absorbance, the fluorescence of whole SBO was also decreased by irradiation, thereby suggesting that both chromophores and fluorophores were photodegraded. The increasingly hydrophilic character given to SBO by irradiation also accounted for the photoinduced decrease of the surfactant properties of the material. (C) 2015 Elsevier B.V. All rights reserved.This work was funded by the 7thFP IRSES-2010-269128-EnvironBos Marie Curie Action and by Ministero delle Politiche Agricole e Forestali (Agrienergia project). The authors are grateful to the following private and/or public Italian institutions: (a) Acea Pinerolese Spa in Pinerolo (TO) for supplying the SBO sourcing materials; (b) Studio Chiono ed Associati in Rivarolo Canavese (TO) for making available pilot equipment and services for the production of the SBO.Avetta, P.; Berto, S.; Bianco Prevot, A.; Minella, M.; Montoneri, E.; Persico, D.; Vione, D.... (2015). Photoinduced transformation of waste-derived soluble bio-based substances. Chemical Engineering Journal. 274:247-255. https://doi.org/10.1016/j.cej.2015.03.126S24725527

Large adaptive optics survey for substellar objects around Young, Nearby, Low-mass Stars with Robo-AO

We present results from the Large Adaptive optics Survey for Substellar Objects, where the goal is to directly image new substellar companions (<70 MJup) at wide orbital separations (≳50 au) around young (≲300 Myr), nearby (<100 pc), low-mass (≈0.1–0.8 M☉) stars. We report on 427 young stars imaged in the visible (i′) and near-infrared (J or H) simultaneously with Robo-AO on the Kitt Peak 2.1 m telescope and later the Maunakea University of Hawaii 2.2 m telescope. To undertake the observations, we commissioned a new infrared camera for Robo-AO that uses a low-noise high-speed SAPHIRA avalanche photodiode detector. We detected 121 companion candidates around 111 stars, of which 62 companions are physically associated based on Gaia DR2 parallaxes and proper motions, another 45 require follow-up observations to confirm physical association, and 14 are background objects. The companion separations range from 2 to 1101 au and reach contrast ratios of 7.7 mag in the near-infrared compared to the primary. The majority of confirmed and pending candidates are stellar companions, with ∼5 being potentially substellar and requiring follow-up observations for confirmation. We also detected a 43 ± 9 MJup and an 81 ± 5 MJup companion that were previously reported. We found 34 of our targets have acceleration measurements detected using Hipparcos–Gaia proper motions. Of those, 58-+1412% of the 12 stars with imaged companion candidates have significant accelerations (c2 > 11.8), while only 23-+611% of the remaining 22 stars with no detected companion have significant accelerations. The significance of the acceleration decreases with increasing companion separation. These young accelerating low-mass stars with companions will eventually yield dynamical masses with future orbit monitoring

Comparison of Hepatitis B Virus Infection in HIV-Infected and HIV-Uninfected Participants Enrolled in a Multinational Clinical Trial: HPTN 052

Objective: Data comparing hepatitis B virus (HBV) infection in HIV-infected [HIV(+)], and HIV-uninfected [HIV(2)] individuals recruited into the same study are limited. HBV infection status and chronic hepatitis B (cHB) were characterized in a multinational clinical trial: HIV Prevention Trials Network (HPTN 052). Method: HBV infection status at enrollment was compared between HIV(+) (N = 1241) and HIV(-) (N = 1232) from 7 HBV-endemic countries. Hepatitis B e antigen and plasma HBV DNA were determined in cHB. Median CD4, median plasma HIV RNA, and prevalence of transaminase elevation were compared in HIV(+) with and without cHB. Significance was assessed with x2 Fisher exact and median tests. Results: Among all participants, 33.6% had HBV exposure without cHB (8.9% isolated HBV core antibody, "HBcAb"; 24.7% HBcAb and anti-HB surface antibody positive, "recovered"), 4.3% had cHB, 8.9% were vaccinated, and 53.5% were uninfected. Data were similar among HIV(+) and HIV(2) except for isolated HBcAb, which was more prevalent in HIV(+) than HIV(2) [10.1% vs. 7.7%, P = 0.046]. Median HBV DNA trended higher in HIV(+) than in HIV(2). In HIV (+) with cHB versus those without cHB, transaminase elevations were more prevalent (alanine aminotransferase # grade 2, 12% vs. 5.2%, P = 0.037; aspartate aminotransferase # grade 2, 26% vs. 6.0%, P, 0.001), CD4 trended lower, and HIV RNA was similar. Conclusions: HBV infection status did not differ by HIV infection status. HIV co-infection was associated with isolated HBcAb and a trend of increased HBV DNA. In HIV, cHB was associated with mild transaminase elevations and a trend toward lower CD4

Virologic outcomes in early antiretroviral treatment: HPTN 052

Introduction: The HIV Prevention Trials Network (HPTN) 052 trial demonstrated that early antiretroviral therapy (ART) prevented 93% of HIV transmission events in serodiscordant couples. Some linked infections were observed shortly after ART initiation or after virologic failure. Objective: To evaluate factors associated with time to viral suppression and virologic failure in participants who initiated ART in HPTN 052. Methods: 1566 participants who had a viral load (VL) > 400 copies/mL at enrollment were included in the analyses. This included 832 in the early ART arm (CD4 350–550 cells/mm3 at ART initiation) and 734 in the delayed ART arm (204 with a CD4 < 250 cells/mm3 at ART initiation; 530 with any CD4 at ART initiation). Viral suppression was defined as two consecutive VLs ≤ 400 copies/mL after ART initiation; virologic failure was defined as two consecutive VLs > 1000 copies/mL > 24 weeks after ART initiation. Results: Overall, 93% of participants achieved viral suppression by 12 months. The annual incidence of virologic failure was 3.6%. Virologic outcomes were similar in the two study arms. Longer time to viral suppression was associated with younger age, higher VL at ART initiation, and region (Africa vs. Asia). Virologic failure was strongly associated with younger age, lower educational level, and lack of suppression by three months; lower VL and higher CD4 at ART initiation were also associated with virologic failure. Conclusions: Several clinical and demographic factors were identified that were associated with longer time to viral suppression and virologic failure. Recognition of these factors may help optimize ART for HIV treatment and prevention

Luminescence Dating in Fluvial Settings: Overcoming the Challenge of Partial Bleaching

Optically stimulated luminescence (OSL) dating is a versatile technique that utilises the two most ubiquitous minerals on Earth (quartz or K-feldspar) for constraining the timing of sediment deposition. It has provided accurate ages in agreement with independent age control in many fluvial settings, but is often characterised by partial bleaching of individual grains. Partial bleaching can occur where sunlight exposure is limited and so only a portion of the grains in the sample was exposed to sunlight prior to burial, especially in sediment-laden, turbulent or deep water columns. OSL analysis on multiple grains can provide accurate ages for partially bleached sediments where the OSL signal intensity is dominated by a single brighter grain, but will overestimate the age where the OSL signal intensity is equally as bright (often typical of K-feldspar) or as dim (sometimes typical of quartz). In such settings, it is important to identify partial bleaching and the minimum dose population, preferably by analysing single grains, and applying the appropriate statistical age model to the dose population obtained for each sample. To determine accurate OSL ages using these age models, it is important to quantify the amount of scatter (or overdispersion) in the well-bleached part of the partially bleached dose distribution, which can vary between sediment samples depending upon the bedrock sources and transport histories of grains. Here, we discuss how the effects of partial bleaching can be easily identified and overcome to determine accurate ages. This discussion will therefore focus entirely on the burial dose determination for OSL dating, rather than the dose-rate, as only the burial doses are impacted by the effects of partial bleaching