Search

This study aims to assess the influence of used information sources on behaviour change related to physical activity (PA). It analyses secondary data from a nationally representative cross-sectional survey conducted in 2017 among 1050 Qatari adolescents aged 13–19 years. Multivariable logistic regression accounting for survey design examined the association between the outcome (attempt to change PA) and interpersonal, online, traditional, and social media information sources. Adolescents who used information from interpersonal and online sources to attempt changing their behaviour had nine times (95% confidence interval [CI]: 4.15–21.08) and nearly three times (95% CI: 1.50–4.27) higher odds of a change in PA behaviour, respectively. The estimated average marginal effects of using information from interpersonal and online sources were 46-percentage point and 16-percentage point increase in the probability of attempting PA behaviour change, respectively. Policymakers may benefit from this research in designing appropriate PA interventions that adapt multiple delivery approaches. [ABSTRACT FROM AUTHOR]

• Synthesis and X-ray characterization of two novel pyrazolo[3,4- g ]isoquinolines. • Hirshfeld surface analyses reveal that H···H are major intercontacts within crystal units. • Geometrical parameters of pyrazolo[3,4- g ]isoquinolines are well reproduced by DFT. • The stability of pyrazolo[3,4- g ]isoquinolines within GSK-3 is validated by MD simulations. Two novel pyrazolo[3,4- g ]isoquinolines (III and VI) have been synthesized, and their corresponding structures were confirmed using X-ray crystallography. The short intermolecular contacts in the crystals of III and VI were identified through the analysis of the Hirshfeld surface and fingerprint plots. These analyses reveal the involvement of CS, CO, and the amine functional groups in the intermolecular hydrogen bonds and that the major contact is H···H with an overall contribution of 53-57 %. The optimized geometries and the global reactivity properties of both molecules were generated using DFT methods at the PCM-B3LYP/6-31+G(d,p) level of theory. The geometrical parameters of both molecules are relatively well reproduced with correlation coefficients between the experimental and calculated bond lengths, bond angles, and torsion angles in the ranges 90-99 %. Both compounds show similar electronic and molecular properties. Treatment for neurodegenerative and psychiatric illnesses increasingly involves pharmacologically the inhibition of glycogen synthase kinase-3 (GSK-3). Here we have focused on understanding the binding ability of our molecules with GSK-3 using molecular docking. III and VI exhibit strong binding affinity toward the GSK-3 binding site, and they formed stable complexes with their amino acids of free binding energies of 7.8 and -7.1 kcal/mol, respectively. Molecular dynamics studies were performed to investigate the stability of III- GSK-3 and VI -GSK-3 complexes. MD analysis of the RMSD, RMSF, and rGyr plots demonstrate the stability of III and VI within the binding site of GSK-3. ADMET analyses reveal that both compounds may exhibit drug-like properties such as high absorption, polarity, lipophilicity, and oral bioavailability. [Display omitted] [ABSTRACT FROM AUTHOR]

Highlights: [•] New benzopyrone derivatives were synthesized and characterized. [•] Compounds were evaluated by NCI, Bethesda for their in vitro anticancer activity. [•] Most compounds shared binding interactions with CK2 similar to inhibitor DBC. [ABSTRACT FROM AUTHOR]

Highlights: [•] New Coumarin derivatives were synthesized and characterized. [•] The most active congeners presented prothrombin time values comparable to warfarin. [•] Most compounds shared binding interactions with FXa similar to inhibitor RPR200095. [ABSTRACT FROM AUTHOR]

Abstract: Several analogues of the 3-substituted-2-oxoindole chemotype were synthesized by condensing isatin or the appropriate haloisatin with some amino acids or histamine under neutral conditions. All the imino derivatives produced were tested for kinase inhibitory properties against three serine/threonine kinases, namely CDK1/cyclin B, CDK5/p25 and GSK3α/β. Most of the histidine derivatives showed inhibitory properties to the three kinases in the low micromolar range. The histamine derivatives were less potent against CDK1/cyclin B and CDK5/p25 and totally inactive against GSK3α/β. So, the management of the carboxyl function may be a tool to impart selectivity in such family of kinases. Docking of 2-{[-5-bromo-2-oxoindolin-3-ylidene]amino}-3-(1H-imidazol2-yl)propanoic acid 14 to CDK5/p25 indicates that this compound can interact with the enzyme through four hydrogen bonds; for GSK/3β, the ligand poses itself in another orientation, also four hydrogen bonds can be formed between the ligand and the receptor, otherwise hydrophobic interactions seem to predominate. Also, all the final compounds were tested for their in vitro antitumor properties against MCF7 (breast), NCI-H460 (lung) and SF268 (CNS) cancer cell lines. None of the synthesized compounds was cytotoxic at 10–4 molar concentration. Moreover, compounds 13 and 14 were tested for potential antiangiogenic properties by testing their ability to inhibit the proliferation of human umbilical vein endothelial cells (HUVECs), cord formation and migration in response to chemoattractant. Only compound 14 showed moderate inhibitory properties to HUVECs proliferation and cord formation while its non-brominated derivative 13 did not. Thus, the antiangiogenesis properties are not apparently caused by inhibition of any of the tested kinases. [Copyright &y& Elsevier]

Objective: We aimed to study the impact of frailty on the outcome of transcatheter aortic valve replacement (TAVR) procedures.Methods: The National Inpatient Sample (NIS) database was queried for all patients aged ≥65 years who underwent a TAVR procedure during the years 2016-2017. Frailty was measured using a previously validated Hospital Frailty Risk Score (HFRS) scoring system. The score is ICD-10 code based; thus, it can be calculated from an administrative database. Study outcomes were in-hospital all-cause mortality, peri-procedural complications, length of stay, and total cost. Outcomes were modeled using logistic regression for binary outcomes and generalized linear regression for continuous outcomes.Results: There were 84,750 patients included in the study. These patients were divided into low-risk (61,050), intermediate-risk (22,955), and high-risk (744), based on average frailty index scores of 2, 7, and 16.8, respectively. On multivariable analysis, the HFRS correlated with increased odds for mortality with an adjusted odd ratio (a-OR) of 1.25 (95% CI: 1.22-1.29, p < 0.001), myocardial infarction [a-OR 1.10 (95% CI: 1.07-1.13, p < 0.001)], pericardiocentesis [a-OR 1.16 (95% CI: 1.12-1.20, p < 0.001)], pacemaker insertion [a-OR 1.06 (95% CI: 1.04-1.08, p < 0.001)], blood transfusion [a-OR 1.14 (95% CI: 1.11-1.16, p < 0.001)], vascular complications [a-OR 1.05 (95% CI: 1.00-1.09, p = 0.03)], longer length of stay [a-MR 1.10 (95% CI: 1.10-1.11, p < 0.001)] and higher cost [a-MR: 1.04 (95% CI: 1.03-1.04, p < 0.001)].Conclusion: The HFRS can be utilized in the risk stratification of older patients undergoing TAVR. [ABSTRACT FROM AUTHOR]

Background: Ascites in cirrhosis has a poor prognosis, with mortality rates of around 40% at one year and 50% at two years. It is also associated with other complications, such as spontaneous bacterial peritonitis (SBP), which can lead to hepatorenal syndrome (HRS) in 30% of patients. Diagnostic paracentesis is the gold standard for diagnosing SBP. Serum biomarkers such as procalcitonin (PCT) have recently received a lot of attention for the early detection of SBP. Objective: To determine the usefulness of measuring serum procalcitonin levels in patients with liver cirrhosis and ascites for the diagnosis of spontaneous bacterial peritonitis. Patients and methods: A cross-sectional case-control study that was conducted on ninety (90) patients diagnosed with liver cirrhosis. They were divided into three groups: Group (A) included 30 cirrhotic patients with ascites diagnosed as spontaneous bacterial peritonitis, Group (B) included 30 cirrhotic patients with ascites but without spontaneous bacterial peritonitis, and Group (C) included 30 cirrhotic patients without ascites as a control group. Results: Serum procalcitonin levels in SBP patients were significantly higher than in sterile ascites and cirrhotic patients without ascites with a P value of 0.001. It had a better cutoff value of 0.315 ng/ml, sensitivity of 87% and specificity of 97% than serum CRP that had a cutoff value of 16 mg/L, sensitivity of 76% and specificity of 90% in cirrhotic patients for predicting ascitic fluid infection. Conclusion: In cirrhotic patients, serum procalcitonin levels appear to provide a satisfactory diagnostic accuracy in the diagnosis of spontaneous bacterial peritonitis, with a suggested cut-off value of 0.315 ng/ml. Further studies are needed to determine the widespread use of serum PCT as a predictor of SBP clinically. [ABSTRACT FROM AUTHOR]

• Crystal structure was confirmed by X-ray diffraction analysis and the atomic coordinates were optimized by DFT calculations. • Hirshfeld surface analysis and energy framework calculations were carried out. • HOMO – LUMO, TDOS, MESP, NBO and NLO studies were performed. • Molecular docking and dynamics simulations were carried out. This work reports the preparation of a new dihydroisoquinoline derivative whose structure was characterized by IR, NMR (1H, 13C), MS and verified through single-crystal X-ray analysis. The mean planes of the acetyl and 4-chlorophenyl groups in the title molecule are nearly perpendicular to that of the pyridine ring. In the crystal, π-stacking and C—H···O hydrogen bond interactions involving the pyridine ring and the nitrile group of an adjacent molecule form the full 3-D structure. Hirshfeld surface (HS) analysis shows the topology of the molecules in the crystal packing. Fingerprint (FP) diagrams show the percentage contribution of several intermolecular interactions where H‧‧‧H interactions have a significant contribution (46%). The DFT study reveals a low HOMO-LUMO gap and significant charge transfer is indicated by the natural bonding orbitals (NBO) and frontier molecular orbital (FMO) analyses. Non-covalent interactions and bond characteristics were investigated using the quantum theory of atom in the molecule (QTAIM) and ELF analysis. FMO analysis was used to calculate the HOMO-LUMO energy gap and orbital energies. Using the DFT method, parameters such as global reactivity were calculated. Using the implicit solvent model, properties such as optical and nonlinear optical (NLO) were characterized in the solvent (water) phase and gas phase. The affinity of the title molecule for Monoamine Oxidase B was examined using molecular docking and molecular dynamics studies and these results showed good binding of the target molecule. [Display omitted] [ABSTRACT FROM AUTHOR]

Background and objective: Hypertension, a global burden, is associated with several risk factors and can be treated by lifestyle modifications and medications. Prediction and early diagnosis is important to prevent related health complications. The objective is to construct and compare predictive models to identify individuals at high risk of developing hypertension without the need of invasive clinical procedures. Methods: This is a cross-sectional study using 987 records of Qataris and long-term residents aged 18+ years from Qatar Biobank. Percentages were used to summarize data and chi-square tests to assess associations. Predictive models of hypertension were constructed and compared using three supervised machine learning algorithms: decision tree, random forest, and logistics regression using 5-fold cross-validation. The performance of algorithms was assessed using accuracy, positive predictive value (PPV), sensitivity, F-measure, and area under the receiver operating characteristic curve (AUC). Stata and Weka were used for analysis. Results: Age, gender, education level, employment, tobacco use, physical activity, adequate consumption of fruits and vegetables, abdominal obesity, history of diabetes, history of high cholesterol, and mother's history high blood pressure were important predictors of hypertension. All algorithms showed more or less similar performances: Random forest (accuracy = 82.1%, PPV = 81.4%, sensitivity = 82.1%), logistic regression (accuracy = 81.1%, PPV = 80.1%, sensitivity = 81.1%) and decision tree (accuracy = 82.1%, PPV = 81.2%, sensitivity = 82.1%. In terms of AUC, compared to logistic regression, while random forest performed similarly, decision tree had a significantly lower discrimination ability (p-value<0.05) with AUC's equal to 85.0, 86.9, and 79.9, respectively. Conclusions: Machine learning provides the chance of having a rapid predictive model using non-invasive predictors to screen for hypertension. Future research should consider improving the predictive accuracy of models in larger general populations, including more important predictors and using a variety of algorithms. [ABSTRACT FROM AUTHOR]

Objectives: To study the pregnancy outcomes in women with type 2 diabetes mellitus (T2DM) and to relate these to maternal risk factors.Methods: We conducted a retrospective study of 419 women with T2DM (index group)- who attended our diabetes in pregnancy clinic at the Hamad Women's Hospital, Doha, between March 2015 and December 2016 -and 1419 normoglycaemic women (control group).Results: Compared with the controls, T2DM women were older (mean age 34.7 ± 6.9 vs 29.6 ± 5.5 years; p < 0.001) and had a higher BMI (34.5 ± 6.7 vs 28.8 ± 6.1 kg/m2; p < 0.001). The incidence of macrosomia, shoulder dystocia and stillbirth were similar in the two groups, while that of pre-term labour, pre-eclampsia, caesarean section (CS), large for gestational age (LGA), neonatal ICU (NICU) admission, and neonatal hypoglycaemia were significantly higher in the T2DM compared to the control group (p < 0.05). Multivariate regression analysis showed that first trimester HbA1C was associated with an increased risk of LGA (OR 1.17; 95% CI [1.01-1.36]), pre-eclampsia (OR 1.26; 95% CI [1.02-1.54]), neonatal hypoglycaemia (OR 1.32; 95% CI 1.10-1.60) and NICU admission (OR 1.32; 95% CI 1.10-1.60). Pre-pregnancy BMI was associated with increased risk of LGA (OR 1.04; 95%CI [1.00-1.08]), macrosomia (OR 1.06; 95%CI [1.00-1.12]) and CS (OR 1.05; 95% CI [1.01-1.09]). Last trimester HbA1c was associated with an increased risk of LGA [OR 1.53, 95% CI [1.13-2.10)] and CS (OR 1.37, 95% CI [1.01-1.87]).Conclusion: T2DM is associated with adverse pregnancy outcomes compared to the normal control in Qatar. Maternal obesity and glycaemic control before and during pregnancy are the main determinants of pregnancy outcomes in women with T2DM. [ABSTRACT FROM AUTHOR]

Objective: To investigate the epidemiology of sickle cell disease (SCD) and determinants of knowledge, attitudes and practices (KAP) towards SCD in western Kordofan State, Sudan.Methods: A community-based, descriptive, cross-sectional study was conducted in three towns. Three hundred and seventy-two households were polled, and blood samples for haemoglobin phenotyping were collected from 1116 individuals. Sociodemographic, socio-economic and KAP data were collected using investigator-administered questionnaires. Descriptive, frequency distribution and multiple regression analyses were performed.Results: About 50.9% of the study population were Misseriya tribes. Consanguineous marriages were reported by 67.5% of the households. The highest percentage of homozygous SCD was 2.8% among children under 5 years of age. About 24.9% were carriers of HbS allele (HbAS). HbS allele frequency was highest in children aged 5-11 years (18.3%, CI: 13.7-22.9%) and lowest in males >15 years old (12.0%, CI: 6.1-17.9%). The average HbS frequency across all age groups was 14.5% (95% CI: 12.2-16.8%). The most frequent β-globin gene cluster haplotype was the Cameroon (30.8%), followed by the Benin (21.8%), the Senegal (12.8%) and the Bantu (2.2%) haplotypes. About 17.0% of all-cause child deaths were due to SCD. The estimated change in log odds of having the SS genotype per year increase in age was (-) 0.0058 (95% CI -0.0359, 0.0242). This represents a non-statistically significant 2.9% increase in 5-year mortality for individuals with the SS genotype relative to those with AS and AA genotypes. About 46.9% of the households had poor knowledge, 26.1% had satisfactory knowledge, and 26.9% had good knowledge about sickle cell disease. Mothers' and fathers' educational levels were significant predictors of good knowledge about SCD (P < 0.05). About 48.0% had a satisfactory attitude towards sickle cell disease while 30.7% had poor attitude and only 21.3 showed good attitudes. Poor knowledge about SCD and low socio-economic status were the strongest positive predictors of poor attitude and practices towards SCD (P < 0.01).Conclusions: Sickle cell disease is a major health problem in West Kordofan, Sudan. Knowledge, attitude and practices towards the disease are not satisfactory. The development of public health programs is highly recommended to control and manage SCD in western parts of Sudan. [ABSTRACT FROM AUTHOR]

Background: Elderly with positive self-perception of aging tend to engage in additional health behaviors related to prevention and report better functional health and live longer. Objectives: The aim of the study is to assess the self-image of community dwelling elderly toward aging in shubra el khima city. Design: A cross sectional study. Participants: Four Hundred of community dwelling elderly. Settings: shubra el khima city. Measurements: Minimental status examination (MMSE-30), Geriatric Depression scale (GDS-15), Direct interview by researcher to fulfill a structured battery of questionnaire formed of several subscales from seven different questionnaires investigating self perception of aging by participating individual:Age Stereotypes Scale, Quality of Life Scale, Satisfaction with Life Scale (SWLS), Positive and Negative Affect Schedule (PANAS), Lawton's Philadelphia Geriatric Center (PGC) Morale Scale, Subjective Age Scale, Ryff'sPsychological Well Being Scales. Results: Older people feel younger than they actually are generally are satisfied with their aging, have high levels of positive affect and low level of negative affect and have higher morale, have positive age stereotype, have positive self-acceptance (good psychological well-being) and positive purpose in life. The three most important things for a good quality of life among studied participants were in order: good health followed by having good pension and good relationship with family members or friends. Conclusion: elderly in shubra el khima city have positive self-perception of aging. [ABSTRACT FROM AUTHOR]

Background: Outbreaks of scabies in institutions and the socioeconomic consequences have not been reported from overpopulated countries such as Bangladesh. Study design: A community-based study among children from six residential Islamic education institutes (madrashas) in Dhaka. Multistage random sampling was used. Objectives: To study the socio-economic profile, water-sanitation facilities, personal hygiene and living conditions of these children. Methodology: Direct interviews were used to collect the data and clinical check up was performed in all children. Results: In total, 492 children received clinical check-ups; 92.5% were boys (mean age: 11.2_+ 2.4 years). 63.4% of fathers and 98.5% of mothers were either illiterate or had only received primary education, 55.1% of fathers were in tow-paid labouring jobs, and 99% of mothers were housewives. Of the 98% of children who had scabies, 71% had been re-infected (96% during the winter). Randomly assigned anti-scabies drugs revealed an average cure rate of 85.5%. Seventy-four percent of children were living in poorly ventilated buildings with overcrowded steeping arrangements. They had poor personal hygiene: 21% shared towels; 8% shared undergarments; 30% shared bed linen; and 81% kept their used clothes on a communal line or shelf. Sanitation was also poor: 39% bathed infrequently, although 97% carried out mandatory ablution. Most children (61%) washed their clothes (including undergarments) two or three times a fortnight, 35% did so every 2-3 days, and 3.7% washed their clothes on alternative days. Disease severity and re-infection were associated with infrequent washing of clothes (P<0.001) and bed linen (P<0.001), overcrowded sleeping arrangements (P<0.001) and infrequent bathing (P<0.001) with soap (P<0.001). This was further related to household income (P<0.001 for both). Conclusion: The study findings have potentially dangerous implications for public health. Immediate attention should be given to developing a sustainable tong-term intervention programme to combat scabies hyperendemicity, and to save thousands of children from impending complications. [ABSTRACT FROM AUTHOR]

Background: Infection prevention and control (IPC) is a critical component of delivering safe, effective and high-quality healthcare services, and eliminating avoidable healthcare-associated infections (HAIs) in health facilities, predominantly in population-dense settings such as Bangladesh., Aim: Our study aimed to assess the effect of an integrated intervention package in improving the IPC level of the health facilities in Bangladesh., Methods: We conducted a pre-post intervention study in six district hospitals (DHs) and 13 Upazila Health Complexes (UHCs) in the six districts of Bangladesh. Baseline and endline assessments were conducted between March and December 2021 using the adapted World Health Organization Infection Prevention and Control Assessment Framework (WHO-IPCAF) tool. The IPCAF score, ranging from 0-800, was calculated by adding the scores of eight components, and the IPC promotion and practice level was categorized as Inadequate (0-200), Basic (201-400), Intermediate (401-600) and Advanced (601-800). The integrated intervention package including IPC committee formation, healthcare provider training, logistics provision, necessary guidelines distribution, triage/flu corners establishment, and infrastructure development was implemented in all facilities., Results: The average IPCAF score across all the facilities showed a significant increase from 16% (95% CI: 11.5-20.65%) to 54% (95% CI: 51.4-57.1%). Overall, the IPCAF score increased by 34 percentage points (P<0.001) in DHs and 40 percentage points (P<0.001) in UHCs. Following the intervention, 12 (three DHs, nine UHCs) of 19 facilities progressed from inadequate to intermediate, and another three DHs upgraded from basic to intermediate in terms of IPC level., Conclusion: The integrated intervention package improved IPCAF score in all facilities., (Copyright © 2023 The Authors. Published by Elsevier Ltd.. All rights reserved.)

The reaction of 5-acetyl-4-aryl-3-cyano-6-methylpyridine-2(1H)-thiones (1a, b) with 4-methylphenacyl bromide, chloro-N-arylacetamides or chloroacetonitrile gave the corresponding S-substituted thiopyridines 2a-c, 4a-f and 6a-c, respectively. The latter compounds underwent intramolecular Thorpe-Ziegler cyclization to give 2-substituted 5-acetyl-3-amino-4-aryl-6-methylthieno[2,3-b]pyridines 3a-c, 5a-f and 7a-c. Compounds 5a-f and 7b, c are key intermediates in the synthesis of the target compounds. Some compounds showed remarkable antimicrobial activity.

Reaction of the arylidene cyanothioacetamides 1a, b with cyclopentanone was proved to give a mixture of 4-aryl-3-cyanocyclopenta[b]pyridine-2(1H)-thiones 2a, b and the corresponding 7-arylidene derivatives 3a, b. Compounds 2a, b were reacted with ethyl chloroacetate or chloroacetamide to give the promising S-substituted thiopyridines 6a-d. On treatment of the latter compounds with sodium ethoxide in boiling ethanol, they underwent intramolecular Thorpe-Ziegler cyclization to yield the corresponding 3-amino-4-aryl-2-functionalized-cyclopenta[e]thieno[2,3-b]pyridines (7a-d). Most of these thienopyridines were reacted with a variety of reagents to produce other new cyclopentathienopyridines as well as numerous of their condensed heterocyclic derivatives. Some of the compounds synthesized were tested in vitro for their antibacterial and antifungal activity.

Arylidene-2-aminobenzimidazoles (1) were prepared by condensation of 2-aminobenzimidazole with aromatic aldehydes. Cyclocondensation of mercaptoacetic acid, chloracetylchloride and phthaloyl glycyl chloride on 1 giving the corresponding 4-thiazolidinones (2) and azetidinones (3 and 4) respectively, in good yields. The biological activities of the prepared compounds were screened against several strains of bacteria.

2-N-Aryl/heterocyclic carboxamidomethylthio-5-p-chlorophenyl-1,3,4-oxadiazoles have been synthesized by the reaction of 1 and N-aryl/heterocyclic-2-chloracetamides in presence of basic medium. 2 and 3 react with heterocyclic thiols in ethanolic potassium hydroxide to give 3-S-substituted-mercaptomethyl-5-substituted-phenyl-1,3,4-oxadiazol-2-thione 5 and 6 respectively. Tert. amines react with 2 to yield the corresponding amino chlorides in good yield. Some of the prepared compounds were tested as antibacterials against Gram-positive and Gram-negative organism.