Density Functional Theory Based Quantitative Structure-Activity Relationship Study of Cycloguanil Derivatives Acting as Plasmodium falciparum.

This work presents a study of quantitative structure-activity relationship (QSAR) on the cycloguanil derivatives which are reported as growth inhibitors of clone of Plasmodium falciparum (T9/94 RC17) which houses A16V+S108T mutant dihydrofolate reductase (DHFR) enzyme. A set of 24 molecule-derived cycloguanil was modeled using the Gauss View software (03) using DFT B3LYP 6,6-31G-31G (d) as a base function. The obtained descriptions are purely electronic. The set constitute the inhibitory activity and the calculated electronic descriptors were statistically processed with principal component analysis (PCA), multiple linear regression (MLR), multiple nonlinear regressions (MNLR) and artificial neural network (ANN). The results obtained by the artificial neural network (ANN) show that the expected activities are in good agreement with the experimental results, with equal correlation coefficient R = 0, 912.To determine the architecture of this network, we varied the number of hidden layers, the number of neurons in the hidden layers, the transfer functions and the pairs of transfer functions. The best results were obtained with a network architecture [3-3-1], activation functions (Tansig-Purelin) and a learning algorithm of Levenberg-Marquardt.

The philosophy of energy consumption in North Africa, contribution of artificial intelligence

Some people in North Africa have been accustomed to getting everything, from the consumption of various goods, to luxurious housing, to travel from one country to another, unaware that the necessities of this way of life are very energy intensive. These countries, too, are unaware of the importance and necessity of opening up to each other in order to work together to raise awareness of energy consumption. Through this research, which is based on a scientific approach combining technology, human and social sciences and statistical studies, we have tried to highlight the importance of logical energy consumption while explaining that the consequences will be unexpected in the future in the event of an energy shortage in North Africa

Personal non-commercial use only

ABSTRACT. Objective. To describe the treatment profile of multimorbid patients with rheumatoid arthritis (RA) in contrast to patients with RA only. Methods. COMORA (Comorbidities in Rheumatoid Arthritis) is a cross-sectional, international study assessing morbidities, outcomes, and treatment of patients with RA. Patients were grouped according to their multimorbidity profile assessed by a counted multimorbidity index (cMMI). Conclusion. In this study, the odds of bDMARD use decreases 11% for each additional chronic morbid condition after adjustment for regional differences, disease activity, and other covariates

Predictors and temporal trend of flu vaccination in auto-immune rheumatic diseases in the UK: a nationwide prospective cohort study

Objectives: To [1] examine temporal trend in uptake of seasonal influenza vaccine (SIV) in the UK, [2] explore disease and demographic factors associated with vaccination. Methods: 32,751 people with auto-immune rheumatic diseases (AIRDs) prescribed disease modifying anti-rheumatic drugs (DMARDs) between 2006 and 2016 were identified from the Clinical Practice Research Datalink. The proportion vaccinated between 01/September of one year and 31/March of next year was calculated and stratified by age, other indications for vaccination, AIRD type, and number of DMARDs prescribed. Stata and Joinpoint regression programs were used. Results: SIV uptake was high in those aged ≥65 years (82.3% and 80.7% in 2006-07 and 2015-16 respectively). It was significantly lower in other age groups, but improved over time with 51.9% and 61.9% in the 45-64 year age group, and 32.3% and 50.1% in the <45 year age group being vaccinated in 2006-07 and 2015-16 respectively. While 64.9% of the vaccinations in those ≥65 years old occurred by 3rd November, in time to mount a protective immune response before the influenza activity becomes substantial in UK, only 38.9% in the 45-64 year and 26.2% in the <45 year age group without any other reason for vaccination received SIV by this date. Women, those with additional indications for vaccination, on multiple DMARDs and with SLE were more likely to be vaccinated. Conclusion: SIV uptake is low in the under 65s, and the majority of them are not vaccinated in time. Additional effort is required to promote timely uptake of SIV in this population

Age- and season-dependent pattern of flavonol glycosides in Cabernet Sauvignon grapevine leaves

Flavonols play key roles in many plant defense mechanisms, consequently they are frequently investigated as stress sensitive factors in relation to several oxidative processes. It is well known that grapevine (Vitis vinifera L.) can synthesize various flavonol glycosides in the leaves, however, very little information is available regarding their distribution along the cane at different leaf levels. In this work, taking into consideration of leaf position, the main flavonol glycosides of a red grapevine cultivar (Cabernet Sauvignon) were profiled and quantified by HPLC–DAD analysis. It was found that amount of four flavonol glycosides, namely, quercetin-3-O-galactoside, quercetin-3-O-glucoside, kaempferol-3-O-glucoside and kaempferol-3-O-glucuronide decreased towards the shoot tip. Since leaf age also decreases towards the shoot tip, the obtained results suggest that these compounds continuously formed by leaf aging, resulting in their accumulation in the older leaves. In contrast, quercetin-3-O-glucuronide (predominant form) and quercetin-3-O-rutinoside were not accumulated significantly by aging. We also pointed out that grapevine boosted the flavonol biosynthesis in September, and flavonol profile differed significantly in the two seasons. Our results contribute to the better understanding of the role of flavonols in the antioxidant defense system of grapevine

High fatigue scores in patients with idiopathic inflammatory myopathies: a multigroup comparative study from the COVAD e-survey

Idiopathic inflammatory myopathies (IIMs) confer a significant risk of disability and poor quality of life, though fatigue, an important contributing factor, remains under-reported in these individuals. We aimed to compare and analyze differences in visual analog scale (VAS) scores (0–10&nbsp;cm) for fatigue (VAS-F) in patients with IIMs, non-IIM systemic autoimmune diseases (SAIDs), and healthy controls (HCs). We performed a cross-sectional analysis of the data from the COVID-19 Vaccination in Autoimmune Diseases (COVAD) international patient self-reported e-survey. The COVAD survey was circulated from December 2020 to August 2021, and details including demographics, COVID-19 history, vaccination details, SAID details, global health, and functional status were collected from adult patients having received at least one COVID-19 vaccine dose. Fatigue experienced 1 week prior to survey completion was assessed using a single-item 10&nbsp;cm VAS. Determinants of fatigue were analyzed in regression models. Six thousand nine hundred and eighty-eight respondents (mean age 43.8&nbsp;years, 72% female; 55% White) were included in the analysis. The overall VAS-F score was 3 (IQR 1–6). Patients with IIMs had similar fatigue scores (5, IQR 3–7) to non-IIM SAIDs [5 (IQR 2–7)], but higher compared to HCs (2, IQR 1–5; P &lt; 0.001), regardless of disease activity. In adjusted analysis, higher VAS-F scores were seen in females (reference female; coefficient −0.17; 95%CI −0.21 to −13; P &lt; 0.001) and Caucasians (reference Caucasians; coefficient −0.22; 95%CI −0.30 to −0.14; P &lt; 0.001 for Asians and coefficient −0.08; 95%CI −0.13 to 0.30; P = 0.003 for Hispanics) in our cohort. Our study found that patients with IIMs exhibit considerable fatigue, similar to other SAIDs and higher than healthy individuals. Women and Caucasians experience greater fatigue scores, allowing identification of stratified groups for optimized multidisciplinary care and&nbsp;improve&nbsp;outcomes such as&nbsp;quality of life