Aromatic nitrations by mixed acid. Slow liquid-liquid reaction regime

Aromatic nitrations by mixed acid have been selected as a specific case of a heterogeneous liquid-liquid reaction. An extensive experimental programme has been followed using adiabatic and heat-flow calorimetry and pilot reactor experiments, supported by chemical analysis. A series of nitration experiments has been carried out to study the influences of different initial and operating conditions such as temperature, stirring speed and sulphuric acid concentration. In parallel, a mathematical model to predict the overall conversion rate has been developed. In this paper the mathematical modelling and the implementation and experimental validation for benzene, toluene and chlorobenzene mononitration in the kinetic control regime (slow liquid-liquid reaction) are presented and discussed

Analysis and simulation of metabolic networks: Application to HEPG2

Chemical toxicity in most of the cases has a metabolic component and metabolic pathways are the most studied biochemical reactions. For these reasons we have started to analyze modelling approaches for studying toxicity at molecular level using the metabolism and focusing in HepG2 cell lines. Two approaches have been investigated. The first consists on the analysis of metabolic fluxes in HepG2 under different toxicants concentrations by complex network analysis tools. This is important when a correlation between dose-response curves and metabolomic data has to be established. The second approach is based on the development and application of a simplified dynamic model of metabolism. This approach requires the specification of the biochemical reactions as well as their kinetic parameters and, therefore, at the moment, the degree of detail in the description of HepG2 metabolism is reduced. The results suggest that a combined approach starting from metabolic fluxes and then solving the kinetic equations as our experimental data and knowledge of metabolic pathways increases is the most promising avenue to develop a quantitative approach of toxicity at molecular level. In addition, there is the necessity to link the molecular level approach with the cell growth and mortality with an intermediate level that translates metabolism changes into measurable parameters in cell-based assays.JRC.DG.I.6-Systems toxicolog

Theoretical Model to Estimate the Distribution of Radon in Alveolar Membrane Neighborhood

Radon is a naturally occurring radioactive gas which tends to concentrate indoors, easily emanates from the ground into the air, where it disintegrates and emits radioactive particles. It can enter the human body through breathing or ingesting mostly water. When radon inhaled, travels through the respiratory tract to alveoli where the majority is expelled into the environment. Moreover, when ingested in water, it passes into the intestine where it is absorbed and driven from the bloodstream to the lungs; in these organs, due to differences in partial pressures, it is transported to alveoli by simple diffusion process. When radon is not removed, it decays in short-lived solid disintegration products (218Po and 214Po) with high probability of being deposited in biological tissues, causing DNA damage because of the densely ionizing alpha radiation emitted. We propose a semi-empirical, smooth, and continuous pair potential function in order to model the molecular interactions between radon and lung alveolar walls; we use Molecular Dynamics (MD) to determine the gas distribution in an alveolar neighborhood wall, and estimate the quantity thereof it diffuses through the alveolar membrane as a concentration function

Highlights of the Keystone Symposium: sirtuins in metabolism, aging and disease

From February 12–16, 2012, leading members of the sirtuin scientific community assembled in Tahoe, CA to attend the Keystone Symposium “Sirtuins in Aging, Metabolism, and Disease.” It was a vibrant and lively meeting, and in the spirit of Keystone Symposia, both established sirtuin researchers and those new to the field enjoyed a unique opportunity to interact and exchange ideas

Surgical Options for the Refractive Correction of Keratoconus: Myth or Reality

Keratoconus provides a decrease of quality of life to the patients who suffer from it. The treatment used as well as the method to correct the refractive error of these patients may influence on the impact of the disease on their quality of life. The purpose of this review is to describe the evidence about the conservative surgical treatment for keratoconus aiming to therapeutic and refractive effect. The visual rehabilitation for keratoconic corneas requires addressing three concerns: halting the ectatic process, improving corneal shape, and minimizing the residual refractive error. Cross-linking can halt the disease progression, intrastromal corneal ring segments can improve the corneal shape and hence the visual quality and reduce the refractive error, PRK can correct mild-moderate refractive error, and intraocular lenses can correct from low to high refractive error associated with keratoconus. Any of these surgical options can be performed alone or combined with the other techniques depending on what the case requires. Although it could be considered that the surgical option for the refracto-therapeutic treatment of the keratoconus is a reality, controlled, randomized studies with larger cohorts and longer follow-up periods are needed to determine which refractive procedure and/or sequence are most suitable for each case

Monocyte chemotactic protein-1 (MCP-1) as a predictor of prolonged urinary incontinence after radical prostatectomy

Objectives: To investigate monocyte chemotactic protein-1 (MCP-1) as a novel urinary biomarker to predict prolonged post prostatectomy incontinence. Methods: Men submitted urine samples prior to robotic radical prostatectomy. MCP-1 values were derived using an ELISA test. Pad usage at 7, 30, and 60 days were documented by patient post cards mailed when zero pads was reached. The primary outcome was defined as no incontinence pad usage at 30 days at prostatectomy. Results: After exclusions, 76 patients were included in analyses. Continence was reached by 29% (22/76), 56% (42/76), and (75/76) 98% at 7, 30, and 60 days, respectively. The average MCP-1 (p=0.258) was not different between the continent and incontinent groups. Highest quartile of MCP-1 (MCP > 166 pg/mL) and normalized MCP-1 (MCP-1/TV >0.53) noted a significant delay in continence at 30 days (p=0.050 and p=0.003). Only 26% (5/19) in the highest MCP1/TV quartile were continent, whereas 65% (37/57) of men in the 3 lower quartiles reached zero pad continence (p=0.003). In a logistic regression model the highest quartile of MCP1/TV had a significant chance of being incontinent at 30 days (OR 0.22; 95% CI 0.058-0.80; p=0.022). Conclusion: MCP-1/TV is a urinary biomarker that may predict prolonged urinary incontinence after radical prostatectomy

In vitro Study of the Survival, Reproduction and Morphology of Daphnia pulicaria irradiated with a Low Energy Laser

Daphnia is a genus of crustaceans that is representative of freshwater communities. The species exhibit a high sensitivity to a wide range of toxic compounds so that they have been used internationally as biomonitors in toxicity tests to evaluate ecosystem conditions such as water quality. It is also a model genus in genetics, epigenetics and reproductive ecology. In this work, we used Daphnia pulicaria as a model to measure the effects of low-energy laser irradiation on survival, reproduction, and morphology variables of parental organisms and their offspring. We used (1) a single clone line of organisms to eliminate interindividual genetic variability; (2) individuals from more than 50 generations after the clone line was established, and offspring from the third brood onwards to dissipate maternal and epigenetic effects, and (3) neonates, those individuals of the species that have less than 48 hours of life, because they are the most sensitive stage to optical stimuli. We analyzed number of deaths, longevity, age at first reproduction, number of offspring per week, number of total offspring during all their life cycle, body size, size of the antennules, and length of the apical spine of the 4th and 5th brood of the irradiated individuals, who were exposed to a blue laser stimulus of 405 nm for 25 minutes with a power of 40 mW at a distance of 50 cm, compared to those of the control (non-irradiated) group

Plio-Quaternary tectonic evolution of the southern margin of the Alboran Basin (Western Mediterranean)

We thank the members of the SARAS and Marlboro cruises in 2011 and 2012. We thank Emanuele Lodolo, Jacques Déverchère, Guillermo Booth-Rea for their helpful comments and discussion. We also thank the editor, Federico Rossetti, for the attention provided to this article. This work was funded by the French program Actions Marges, the EUROFLEETS program (FP7/2007-2013; no. 228344) and project FICTS-2011-03-01. The French program ANR-17-CE03-0004 also supported this work. Seismic reflection data were processed using the Seismic UNIX SU and Geovecteur software. The processed seismic data were interpreted using Kingdom IHS Suite© software. This work also benefited from the Fauces Project (Ref CTM2015-65461-C2-R; MINCIU/FEDER) financed by Ministerio de Economía y Competitividad y al Fondo Europeo de Desarrollo Regiona (FEDER).Progress in the understanding and dating of the sedimentary record of the Alboran Basin allows us to propose a model of its tectonic evolution since the Pliocene. After a period of extension, the Alboran Basin underwent a progressive tectonic inversion starting around 9–7.5 Ma. The Alboran Ridge is a NE–SW transpressive structure accommodating the shortening in the basin. We mapped its southwestern termination, a Pliocene rhombic structure exhibiting series of folds and thrusts. The active Al-Idrissi Fault zone (AIF) is a Pleistocene strike-slip structure trending NNE– SSW. The AIF crosses the Alboran Ridge and connects to the transtensive Nekor Basin and the Nekor Fault to the south. In the Moroccan shelf and at the edge of a submerged volcano we dated the inception of the local subsidence at 1.81– 1.12 Ma. The subsidence marks the propagation of the AIF toward the Nekor Basin. Pliocene thrusts and folds and Quaternary transtension appear at first sight to act at different tectonic periods but reflect the long-term evolution of a transpressive system. Despite the constant direction of Africa– Eurasia convergence since 6 Ma, along the southern margin of the Alboran Basin, the Pliocene–Quaternary compression evolves from transpressive to transtensive along the AIF and the Nekor Basin. This system reflects the logical evolution of the deformation of the Alboran Basin under the indentation of the African lithosphere.This research has been supported by the CNRSINSU-TOTAL-BRGM-IFREMER Actions Marges program, EUROFLEETS program FP7/2007-2013 (grant no. 228344), EU Regional Structural Fund (grant no. FICTS-2011-03-01) and DAMAGE Project (project no. FEDER/CGL2016-80687-R AEI), Fauces Project (project no. FEDER/CTM2015-65461-C2-R; MINCI), ALBAMAR Project (project no. ANR/ANR-17-CE03-0004)

Differential contributions of subthalamic beta rhythms and 1/f broadband activity to motor symptoms in Parkinson's disease.

Excessive beta oscillatory activity in the subthalamic nucleus (STN) is linked to Parkinson's Disease (PD) motor symptoms. However, previous works have been inconsistent regarding the functional role of beta activity in untreated Parkinsonian states, questioning such role. We hypothesized that this inconsistency is due to the influence of electrophysiological broadband activity -a neurophysiological indicator of synaptic excitation/inhibition ratio- that could confound measurements of beta activity in STN recordings. Here we propose a data-driven, automatic and individualized mathematical model that disentangles beta activity and 1/f broadband activity in the STN power spectrum, and investigate the link between these individual components and motor symptoms in thirteen Parkinsonian patients. We show, using both modeled and actual data, how beta oscillatory activity significantly correlates with motor symptoms (bradykinesia and rigidity) only when broadband activity is not considered in the biomarker estimations, providing solid evidence that oscillatory beta activity does correlate with motor symptoms in untreated PD states as well as the significant impact of broadband activity. These findings emphasize the importance of data-driven models and the identification of better biomarkers for characterizing symptom severity and closed-loop applications