Dataset of spectroscopic, crystallography and DFT of novel 1,2-bis[N,N'-6-(4-pyridylmethylamido)pyridyl-2-carboxyamido]butane.

This paper provided the dataset obtained from spectroscopic, crystallography and DFT of a new compound namely 1,2-bis[N,N'-6-(4-pyridylmethylamido)pyridyl-2-carboxyamido]butane. This compound is prepared from the reaction between N-6-[(4-pyridylmethylamino)carbonyl]-pyridine-2-carboxylic acid methyl ester with butane-1,4-diamine. The preparation of this compound is modified from the method described in our article [1]. In this work, we present data characterization of 1,2-bis[N,N'-6-(4-pyridylmethylamido)pyridyl-2-carboxyamido]butane from Fourier Transform Infrared (FTIR), 1H Nuclear Magnetic Resonance (1 H NMR), NOESY NMR, 13C Nuclear Magnetic Resonance (13C NMR), and elemental analysis (CHNS). The structure of this molecule is also analysed by X-ray crystallography and DFT studies. A single-crystal X-ray diffraction investigation was carried out by using Bruker SMART Apex II Duo CCD area-detector diffractometers with MoKα radiation (wavelength of λ = 0.71073 Å). The optimized energy was indicated with GaussView 5.0 and Gaussian 16 software package programme.

Experimental and DFT data of p-chlorocalix[4]arene as drugs receptor.

The data in this article provide information on spectroscopic and theoretical data for p-chlorocalix[4]arene when combined with selected drugs, such as paracetamol, ibuprofen, and cetirizine. The present spectroscopic data are generated from Fourier Transform Infrared (FTIR), Nuclear Magnetic Resonance (1H NMR and 13C NMR), and Ultraviolet-Visible spectroscopy (UV-Vis) as the key tools for molecular characterization. The measurement of the optimization energy, interaction energy, and the band gap energy between the molecules was calculated by Gaussian 09 software. It is interesting to note that of the three titled drugs identified, p-chlorocalix[4]arene showed the highest interaction energy with paracetamol, followed by ibuprofen and cetirizine.

Physical activity attitudes among adolescents in Bangladesh.

OBJECTIVES: The purpose of this study was to examine physical activity (PA) attitudes among adolescents in Bangladesh and their associations with sociodemographic, lifestyle and activity-related factors. STUDY DESIGN: Cross-sectional study. METHODS: A total of 781 students (52% female; mean age 14.3 years, SD 1.1) from eight secondary schools in Dhaka, Bangladesh, completed a written questionnaire. Exploratory factor analysis was used to derive positive and negative PA attitude measures. Generalized estimating equations were used to examine the associations. RESULTS: The most frequent positive attitudes were PA would 'get or keep me in shape' (81%) and 'be fun' (73%). Common negative attitudes were PA 'would make me hot and sweaty' (51%) and 'is hard work' (42%). Multivariable analysis showed that positive PA attitudes were more likely among adolescents who had physical education classes, adolescents involved in school sports, adolescents who ate fresh fruit and vegetables daily, and adolescents who had breakfast regularly. Negative PA attitudes were more likely among girls, adolescents who slept ≤8 h/night, and adolescents who were overweight or obese; and were less common among adolescents who ate fresh fruit and vegetables daily. CONCLUSIONS: This study suggests that PA interventions for adolescents should highlight benefits for being in shape and having fun as key components of positive PA attitudes; and address negative attitudes of PA being hot and hard work. Specific strategies may be needed to address negative PA attitudes among girls, adolescents who are overweight or obese, and adolescents with insufficient sleep.

Chemical and antibacterial data of synthesized thioureido derivatives.

This paper provided comprehensive data on spectroscopic and antibacterial activities of thioureido compounds which are relevant with research article entitled "Synthesis, Spectroscopic Studies and Antibacterial Activity of New Lauroyl Thiourea Amino Acid Derivatives" [1]. Based on the reported study, four new thioureido derivatives, namely 3-(3-dodecanoyl-thioureido)propionic acid (R1), 2-(3-dodecanoyl-thioureido)-3-methyl butyric acid (R2), (3-dodecanoyl-thioureido)acetic acid (R3) and 2-(3-dodecanoyl-thioureido)-3-phenyl propionic acid (R4) were characterized by elemental analysis, Fourier Transform Infrared (FTIR), 1H Nuclear Magnetic Resonance (1H NMR) and 13C Nuclear Magnetic Resonance (13C NMR), and Ultraviolet Visible spectroscopy (UV-Vis). The preliminary results from antibacterial assay which were tested against Gram-positive bacteria such as Bacillus subtilis, Staphylococcus epidermidis, Staphylococcus aureus and Gram-negative bacteria such as Escherichia coli, Salmonella typhimurium are also described.

Spectroscopic data of 6-(N-methyl-pyridin-2-ylcarbamoyl)-pyridine-2-carboxylic acid methyl ester isomers.

This paper provided spectroscopic data that is relevant with research article entitled "Synthesis and structural characterization of 6-(N-methyl-pyridin-2-ylcarbamoyl)-pyridine-2-carboxylic acid methyl ester Isomer" (Kadir et al., 2017) [1]. From the reported study, four new ligand of monoamide isomers were successfully synthesized using acyl chloride methods. The monoamide compounds namely 6-(3-methyl-pyridin-2-ylcarbamoyl)-pyridine-2-carboxylic acid methyl ester (L1), 6-(4-methyl-pyridin-2-ylcarbamoyl)-pyridine-2-carboxylic acid methyl ester (L2), 6-(5-methyl-pyridin-2-ylcarbamoyl)-pyridine-2-carboxylic acid methyl ester (L3) and 6-(6-methyl-pyridin-2-ylcarbamoyl)-pyridine-2-carboxylic acid methyl ester (L4) were fully characterized by Fourier Transform Infrared (FTIR), 1H Nuclear Magnetic Resonance (1H NMR) and 13C Nuclear Magnetic Resonance (13C NMR), Ultraviolet Visible (UV-Vis) and elemental analyzer (CHNS).

Classification of breast tumour using electrical impedance and machine learning techniques.

When a breast lump is detected through palpation, mammography or ultrasonography, the final test for characterization of the tumour, whether it is malignant or benign, is biopsy. This is invasive and carries hazards associated with any surgical procedures. The present work was undertaken to study the feasibility for such characterization using non-invasive electrical impedance measurements and machine learning techniques. Because of changes in cell morphology of malignant and benign tumours, changes are expected in impedance at a fixed frequency, and versus frequency of measurement. Tetrapolar impedance measurement (TPIM) using four electrodes at the corners of a square region of sides 4 cm was used for zone localization. Data of impedance in two orthogonal directions, measured at 5 and 200 kHz from 19 subjects, and their respective slopes with frequency were subjected to machine learning procedures through the use of feature plots. These patients had single or multiple tumours of various types in one or both breasts, and four of them had malignant tumours, as diagnosed by core biopsy. Although size and depth of the tumours are expected to affect the measurements, this preliminary work ignored these effects. Selecting 12 features from the above measurements, feature plots were drawn for the 19 patients, which displayed considerable overlap between malignant and benign cases. However, based on observed qualitative trend of the measured values, when all the feature values were divided by respective ages, the two types of tumours separated out reasonably well. Using K-NN classification method the results obtained are, positive prediction value: 60%, negative prediction value: 93%, sensitivity: 75%, specificity: 87% and efficacy: 84%, which are very good for such a test on a small sample size. Study on a larger sample is expected to give confidence in this technique, and further improvement of the technique may have the ability to replace biopsy.

Comparative efficacy of combined nebulized salbutamol with ipratropium bromide and nebulized adrenaline to treat children with acute bronchiolitis.

As the efficacy of combined nebulized salbutamol & ipratropium bromide as well as L-adrenaline to treat acute bronchiolitis is not well studied among the Bangladeshi infants, this study was carried out to see their efficacy in acute bronchiolitis and to compare their effectiveness. This randomized clinical trial was done among 60 children aged less than 02 years, admitted in the department of Pediatrics, Dhaka Medical College Hospital, during January through December 2005 with acute bronchiolitis. After a quick initial assessment, nebulization were done twice at 6 hours interval with the mentioned drugs, group wise (one group with salbutamol plus ipratropium bromide and other group with L-adrenaline alone) and the outcomes were assessed after 30 minutes of each nebulization in respect to oxygen saturation and clinical modified respiratory distress assessment instrument (MRDAI) scores. The results were analyzed by using SPSS version 10.0 and at a p value of

Proliferation potential of 18-month-old callus of Ananas comosus L. cv. Moris.

Differential effect of plant growth regulators and additives in proliferation of 18-month-old calli of Ananas comosus L. cv. Moris were assessed in vitro. The proliferation of callus relied on the growth regulators and additives. Of the different auxins supplemented in the Murashige and Skoog (MS) media, 32.22 microM alpha-naphthaleneacetic acid (NAA) gave the highest mean fresh weight of callus (46.817 g). Medium supplemented with 2,4-dichlorophenoxyacetic acid (2,4-D) was inferior to NAA, while b-naphthoxy acetic acid (BNOA) and p-chlorophenoxy acetic acid (4-CPA) were not effective in proliferating 18-months old callus. Addition of casein hydrolysate and coconut water to NAA supplemented medium showed better proliferation and production of callus. However, in terms of callus production, NAA at 32.22 microM was economically better.

Epidemiology of malaria in Al-Tameem Province, Iraq, 1991-2000.

To determine the rates of malarial infection in different areas of Al-Tameem province, we conducted a cross-sectional study from 1991 to 2000. We found an overall infection rate of 0.76% by Plasmodium vivax. Infection rates were highest in Dibis district (1.12%), followed by infections from outside the province (0.93%) and in Hawija district (0.89%), Kirkuk (0.62%) and Dakok (0.17%). Rates of infection varied by year with the lowest rate in 1991 (0.02%) and the highest rate in 1996 (1.84%). All ages were represented, with the highest rate of infection among 21-30-year-olds. Males had a slightly higher rate of infection (0.78%) than females (0.73%).

Epidemiology of malaria in Al-Tameem Province, Iraq, 1991-2000

To determine the rates of malarial infection in different areas of Al-Tameem province, we conducted a cross-sectional study from 1991 to 2000. We found an overall infection rate of 0.76% by Plasmodium vivax. Infection rates were highest in Dibis district [1.12%], followed by infections from outside the province [0.93%] and in Hawija district [0.89%], Kirkuk [0.62%] and Dakok [0.17%]. Rates of infection varied by year with the lowest rate in 1991 [0.02%] and the highest rate in 1996 [1.84%]. All ages were represented, with the highest rate of infection among 21-30-year-olds. Males had a slightly higher rate of infection [0.78%] than females [0.73%]

Surgical management of cicatricial post-scleromatous sub-glottic stenosis.

In Egypt, sub-glottic stenosis is commonly caused by scleromatous affection. The countries in which scleroma is endemic have been reviewed. The incidence of scleroma, laryngeal scleroma, and sub-glottic affection, and their sex ratios have been discussed. Radiological study of the sub-glottic extension has been done. The operative procedures are detailed and the results are presented. The use of the Montgomery T-tube is an essential part of all these operations. The excision of scar tissue from the sub-glottic region was done in children, and this accords with recent trends. Twenty cases have been operated upon, with airway improvement in all of them.