Organic compounds based on 1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-indene-4-thiol as selective human monoamine oxidase B inhibitors. Quantitative analysis of structure-activity relationships and in-silico investigations

After Alzheimer's disease, Parkinson's disease is the most prevalent neurodegenerative condition. Because it is fatal and affects a large proportion of the world's population over the age of 60, the development of new drugs to treat it is crucial. To achieve this objective, we used the 3D-QSAR technique to design effective hMAO-B inhibitors from a 1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-indene-4-thiol chain. The 3D-QSAR models were generated by combining comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA). In this study, the different field models obtained proved that the CoMSIA/SEA model is the best model with excellent predictive power over several models (Q2 = 0.701; R2 = 0.926; R2test= 0.69). A new group of MAO-B inhibitors was predicted based on this fitting model, and the pharmacokinetic properties were studied using ADMET in silico prediction. All examined compounds showed good oral bioavailability. In addition, the docking simulation of the designed compound M4 and the most active compound of the training set K12 were analyzed. The results showed that the newly designed compound M4 remained more stable at the active site of the receptor compared to the compound K12, and we can finally rely on it as a potential pharmacological compound

Evaluation of natural radionuclides for mica and quartz in Eastern Desert of Egypt, using gamma-ray spectrometry

By applying high–resolution γ-ray spectroscopic system, the various radionuclides of mica and quartz samples have been identified quantitatively. The specific activity of 226Ra, 232Th and 40K in 25 mica samples collected from 5 locations and 15 quartz samples from 3 locations of geographical areas located in G. Kadabora in Central Eastern Desert of Egypt, were determined by gamma ray spectrometry with a high-purity germanium (HPGe) detector. This subject is important in environmental radiological protection, since mica and quartz are widely used as raw materials in different industries. The results of analysis for 238U, 232Th and 40K specific activities were found to be higher than the permissible level for all mica and quartz samples. The radium equivalent activities in Bq/kg, dose rate in nGy/hr, external and internal hazards in nGy/yr and also (232Th/238U) ratios Clark’s value s are calculated. From this study, it is clear that G. Kadabora, Central Eastern Desert, Egypt can be considered unsafe to use as raw materials

Analysis of tribological parameters during machining

In this paper, a hybrid analytical-numerical approach is performed for the orthogonal cutting process. The modelling of the thermomechanical material flow in the primary shear zone, the tool-chip contact length and the sliding-sticking zones are obtained from an analytical approach. In addition, the Finite Element method is used to solve the non linear thermal problem in the chip. Our aim is to propose an approach which can easily be used to identify the main parameters governing tool wear and to explain the experimental trends. The effects of cutting conditions and material behaviour on the sliding-sticking zones and on the temperature distribution along the tool-chip interface can be evaluated from this approach. It has been found that the sliding-sticking zones at the tool-chip interface strongly control the local conditions of stress, velocity and temperatur

Excessive lifetime cancer risk and natural radioactivity measurements of granite and sedimentary rock samples

Eighteen samples of sediments collected from Um Bogma, South Western Sinai, and twelve granite samples collected from Gabal Gattar, North Eastern Desert in Egypt have been investigated. Concentrations of radionuclides in sediment and granite samples were determined by γ-ray spectrometer using HPGe detector with a specially designed shield. The content of uranium is high in sediments and granite samples, and the content of 40K in granite is higher than that in sediments. The absorbed dose rate ranged from 419 to 3908 nGy/h for sediment samples and from 1002 to 1307 nGy/h for granite samples. The representative external hazard indicies (Hex) for sediment and granite samples were estimated. The state of radioactive disequilibrium in the U-series at Um Bogma and Gabal Gattar areas were also studied. The activity ratios between 226Ra/238U for sediment and granite were calculated. Thorium to Uranium concentration ratios (Clark value) was also estimated. The total excess lifetime cancer risk (ELCR) was measured

08 Applying revised

Erosion is among natural phenomena with the most concern regarding hydraulic policy that Morocco undertakes to promote the social and economic development. At a landscape scale erosion causes loss of nutrients and a decline of productivity. Several methods have been developed to study this phenomenon and to reduce its extent. Mathematical models remain however the most used method and the most adequate to quantify erosion. RESUMEN Este trabajo aporta los resultados de los datos recogidos relativos a la erosión del agua en el Plateau Central de Marruecos. Se intenta probar la eficiencia del modelo RUSLE para predecir la erosión en los terrenos forestales mediterráneos. El experimento fue realizado en las estaciones forestales de Lalla Regraga y Aïn Guernouch, situadas a una distancia de 50 y 100 km de Rabat. El modelo RUSLE considera la erosión como producto de la acción de la lluvia, la topografía y la vegetación. El modelo fue desarrollado en origen para tierras cultivadas y no ha sido aplicado a áreas forestales de Marruecos. Para verificar la precisión del modelo RUSLE en esta nueva situación, se consideraron dos conjuntos de 5 y 6 puntos de medida y la instalación de una estación climática en cada una de las estaciones consideradas. Estos lugares están caracterizados por un clima semi-árido de inviernos moderados, litología granítica y suelos arenosos en Aïn Guernouch y suelos arcillosos en Lalla Regraga. Ambas regiones muestran una cubierta forestal. Con la finalidad de introducir información procedente de teledetección, hemos analizado la profundidad térmica sobre todo el territorio, utilizando imágenes de temperatura de superficie procedentes del sensor MSG-SEVIRI, para caracterizar el suelo y aportar comparaciones entre otras regiones de Marruecos y España. PALABRAS CLAVE: plateau central, Marruecos, profundidad térmica, lluvia, erosión por agua, RUSLE. ABSTRACT This paper reports the results of data compilation on water erosion in Central Plateau of Morocco. It tries to test the efficiency of the Revised Universal Soil Loss Equation (RUSLE) to predict erosion in Mediterranean forest situations. The experiment was conducted at forest stations of Lalla Regraga and Aïn Guernouch about 50 and 100 km respectively from Rabat, the capital of Morocco. RUSLE model translates erosion as a product of rain erosivity, soil erodibility, topography, vegetation and practices. It was mainly developed for cultivated lands, it was rarely applied to forest areas and never to forests in Morocco. To verify the accuracy of using RUSLE in these situations, two sets of 5 and 6 experimental Wischmeier type plots and a climatic station were installed at the above sited stations. The two experimental sites are characterized by a local semi arid with moderate winter climate, a hydrographic network represented mainly by first order gullies, a lithology showing granite lands with sandy soils at Aïn Guernouch site and schist land with clayey soils in Lalla Regraga site, a deciduous forest in the first site, and a coniferous one in the second site. In order to introduce information coming from remote sensing, we have analyzed the thermal depth over all territory, using MSG thermal images, to characterize the soil and obtain comparison with other regions in Morocco and Spai

Baseline characteristics of the first patients included in the OFSEP high definition cohort and relationship between quality of life and patients' characteristics

International audienceContext: The OFSEP registry in multiple sclerosis (MS) recently proposed a high-definition (HD) cohort to better appreciate the causal factors of disease progression and develop reliable predictive tools to help in medical decision making and informing patients at different key moments in the disease course.Objectives: To describe the characteristics of the first patients included in the HD cohort and to analyse their cross-sectional relationship with quality of life (QoL) measures.Methods: MS patients are followed annually. Data collection includes OFSEP core minimal clinical data, MFSC, brain MRI, comorbidities, serum biomarkers and patient-reported outcomes including QoL. Inclusions in the HD cohort started in July 2018. Patients were described according to demographic, clinical and therapeutic characteristics at inclusion. Several QoL indicators were available: the visual analogue scale (VAS) of the EQ5D-5L, the physical (PCS) and mental (MCS) component summary scores of the SF12, and the summary index of the MuSiQoL. Associations between patients’ characteristics and QoL indicators were analysed with multiple linear regression (p< 0.05 was considered as significant).Results: In March 2019, 621 patients were included, mainly women (73%), with an age at inclusion of 43±11 years and disease duration of 12±9 years. Disease course was relapsing-remitting (80%), secondary (12%) and primary progressive (8%). Majority of patients had a low disability (EDSS [0-2.5], 57%; [3-3.5], 12%; [4-5.5], 18.2%; [6-7], 13%). Twenty two percent were untreated; others were mainly treated with natalizumab (22%), fingolimod (14%) and rituximab (10%). In multivariate analysis, VAS was significantly lower in patients with progressive course and high levels of EDSS. The same correlations were observed for the PCS, which was additionally higher in first line treated patients. Regarding the MusiQoL, its level was significantly lower in patients with high levels of EDSS. In contrast, MCS was higher for EDSS [0-2.5] and lower for [4-5.5].Discussion: The first patients included in the HD cohort had a low disability and were mostly treated with second line drugs. A low QoL was associated to higher EDSS but not to disease activity; clinical course and treatment were associated with some scales but not for others. The relationship observed between QoL and disability validates the usefulness of the QoL collection of data in the perspective of a patient-centred research program