Predicting the research performance of early career scientists

Scientometrics - This paper examines how early career-related factors can predict the future research performance of computer and information scientists. Although a few bibliometric studies have...     

Evaluating the effectiveness of photocatalysts based on titanium dioxide in the degradation of the dye Ponceau 4R

The performance of different titanium dioxide (TiO₂) catalysts and a composite based on the association between TiO₂ P25 and Zinc Phthalocyanine (TiO₂/ZnPc 1.6%) was evaluated in the photocatalytic degradation of the dye Ponceau 4R (C.I. 16255). The results show that the composite presents a better performance than the other, reaching about 50% mineralization of the dye in 120 min of reaction, around three times higher than that observed under the action of pure TiO₂ P25, although this catalyst presents a quantum yield of hydroxyl radical generation about three times higher than that estimated for the composite. This result seems to be a consequence of the synergism between the electronically excited ZnPc aggregates and the TiO₂ surface.A parallel study, based on methods from quantum mechanics also suggested the most feasible routes for the photodegradation of the dye in the absence of the catalyst.     

Imazalil Degradation upon Applying Ozone—Transformation Products,Kinetics, and Toxicity of Treated Aqueous Solutions

The elimination of the pesticide imazalil (IMZ) spiked into ultrapure water as well as into wastewater applying ozone (O₃) and the identification of transformation products was investigated. O₃ under hydroxyl radical suppression conditions reacted rapidly with the aliphatic double bond or the imidazole ring in IMZ, yielding several transformation products by partial oxidation. The structures of four oxidation products not yet described were characterized and identified after liquid chromatography coupled with high resolution, high mass accuracy, mass and tandem mass spectrometry (LC/MS and -MSⁿ) in ultrapure water. For two identified transformation products, generated via direct ozone attack on IMZ, formation pathways were proposed. In wastewater, only two of those transformation products were observed. Kinetics studies for the reaction of IMZ with O₃, evaluated by the competition kinetic method, resulted in a second-order rate constant k_O3,IMZ ～ (1.02 ± 0.03)?×?10⁵ M^?1 s^?1 at pH 6.6 ± 0.2, indicating that IMZ is completely transformed during the ozonation process. Tests of acute toxicity were performed applying a solution of IMZ in ultrapure water or treated wastewater to Daphnia magna. In both cases the decrease of toxicity was observed after ozone treatment.     

Design,Synthesis, Radiosynthesis and Biological Evaluation of Fenretinide Analogues as Anticancer and Metabolic Syndrome-Preventive Agents

Fenretinide (4-HPR) is a synthetic derivative of all-trans-retinoic acid (ATRA) characterised by improved therapeutic properties and toxicological profile relative to ATRA. 4-HPR has been mostly investigated as an anti-cancer agent, but recent studies showed its promising therapeutic potential for preventing metabolic syndrome. Several biological targets are involved in 4-HPR's activity, leading to the potential use of this molecule for treating different pathologies. However, although 4-HPR displays quite well-understood multitarget promiscuity with regards to pharmacology, interpreting its precise physiological role remains challenging. In addition, despite promising results in vitro, the clinical efficacy of 4-HPR as a chemotherapeutic agent has not been satisfactory so far. Herein, we describe the preparation of a library of 4-HPR analogues, followed by the biological evaluation of their anti-cancer and anti-obesity/diabetic properties. The click-type analogue 3 b showed good capacity to reduce the amount of lipid accumulation in 3T3-L1 adipocytes during differentiation. Furthermore, it showed an IC₅₀ of 0.53±0.8 μM in cell viability tests on breast cancer cell line MCF-7, together with a good selectivity (SI=121) over noncancerous HEK293 cells. Thus, 3 b was selected as a potential PET tracer to study retinoids in vivo, and the radiosynthesis of [¹⁸F] 3b was successfully developed. Unfortunately, the stability of [¹⁸F] 3b turned out to be insufficient to pursue imaging studies.     

Fatty and Volatile Oils of the Gypsywort Lycopus europaeus L. and the Gaussian-Like Distribution of its Wax Alkanes

The detailed analyses of the volatile essential oil and lipid profiles of the aerial parts from the blooming and fruit-forming stages of both ripe and unripe fruit of Lycopus europaeus (Lamiaceae) are presented. Both of these profiles are distinguished by components with a restricted occurrence in the Plant Kingdom. These rare compounds include (E)-hotrienol in the volatiles, numerous unusual fatty acids (such as very long chain, odd-numbered and branched-chain) in the bound lipids and a high amount of iso- and anteiso-alkanes in the epicuticular waxes. Furthermore, a Gaussian-like distribution of the relative amounts of the epicuticular wax alkanes was observed. These normal distributions could be interpreted as the end result of the work of elongase enzyme systems where the Gaussian parameter μ should match the length of the “ideal” fatty acid biosynthesised and σ would represent the error of this enzyme system. These curve parameters were shown to have a close relationship with ACL and CPI values usually utilised to describe the natural distribution of wax alkanes. The screening of L. europaeus essential oil for its in vitro antimicrobial activity showed that this oil possesses selectivity towards two gram-negative strains, E. coli and K. pneumoniae.     

Combustion of Mechanically Alloyed Aluminum‐Magnesium Powders in Steam

Mechanically alloyed Al ⋅ Mg powders with the mole fraction of Al varied from 0.47 to 0.9 were burned at atmospheric pressure in water vapor. The powders were carried by nitrogen through the center of a hydrogen‐oxygen diffusion flame. The particles ignited in the steam at approximately 2500 K, generated as the hydrogen‐oxygen flame product. Filtered photomultiplier tubes were used to capture the optical emission traces of individual particles as they burned. It was assumed that the measured durations of individual emission pulses are representative of individual particle burn times. Distributions of the burn times were obtained for each powder and correlated with respective particle size distributions to relate particle burn times with their sizes. Color temperatures corresponding to the particle emission signals were also obtained. It was observed that the burn times measured for alloys were more close to those of pure Al than Mg; for particles smaller than 2–3 μm, burn times for the alloys were shorter than for pure metal particles. The effect was strongest for the alloy with 50 wt‐% of Mg (Al_0.47Mg_0.54). Approximately, burn times, τ, as a function of particle size, d, could be estimated using a τ∼dⁿ law, where n increased from 0.72 to 1.05 as the mole fraction of Mg increased from 0.1 to 0.53. The particle flame temperatures varied between 2500 and 3100 K for all alloys except for Al_0.7Mg_0.3, for which the temperatures were somewhat lower. The measured flame temperatures were reasonably close to the adiabatic flame temperatures calculated for combustion of mixed elemental Al and Mg in steam.     

MICROBUBBLES FOR ENHANCEMENT OF OXYGEN TRANSFER IN XANTHAN GUM FERMENTATION

This study investigates the use of microbubble sparging for enhancing oxygen transfer and product yield during xanthan gum fermentation. Fermentation runs with full air sparging and partially substituted microbubble sparging were compared for the parameters biomass, xanthan, oxygen uptake, and energy levels. Microorganisms were found compatible at numerous Tween-20 levels and further showed considerable resistance to shear conditions in the microbubble generator. Microbubbles with a size of about 145 μm, gas hold up of 65%, and foam stability of about 3 min. resulted at standardized microbubble generator operating conditions (8000 rpm, 2 min., 300 ppm surfactant). A comparison of both methods showed that partially substituted microbubble sparging increased oxygen uptake by 50%, final biomass levels by 17%, and final xanthan gum yield by 30%. Results indicate that X. campestris is amenable to conditions encountered within a microbubble generator and that microbubble sparging improved oxygen transfer and xanthan gum yield without affecting gum quality.     

Spinodal clustering induced dewetting and non-monotonic stabilization of polymer blend films at high nanofiller concentrations

We examine the effects of high fullerene nanoparticle (f-NP) concentrations, ?_f-NP ∼ (10–20) mass% on polystyrene (PS)/polybutadiene (PB) blend thin film stability. Dewetting of the polymer blend around spinodally clustered f-NPs in this high concentration limit leads to a spinodal like dewetting morphology. This is in contrast to our previously observed results on the stabilization effects of f-NPs on PS/PB blend thin films in the intermediate f-NP concentration range of 7–10 mass%, wherein, after saturating the polymer–blend interface, the NPs stabilize the film by segregating to the blend–substrate interface. We determine three regimes of polymer blend film stability as a function of filler concentration: a) ?_f-NP < 7 mass% where preferential segregation of the f-NPs to the polymer–polymer interface leads to macroscopic dewetting, b) ?_f-NP ∼ (7–10) mass% where PS/PB blend films exhibit complete film stability, and c) ?_f-NP ∼ (11–20) mass%, where spinodal clustering of the f-NPs gives rise to polymer–NP phase exclusion and subsequent dewetting.