Antituberculosis activity of several 5-(4-aminophenyl)-4-alkyl/aryl-2,4-dihydro-3H-1,2,4-triazole-3-thiones (1-9) and their thiourea derivatives (10-31) were screened for their antimycobacterial activities against Mycobacterium tuberculosis H37Rv using the BACTEC 460 radiometric system. Of the synthesized compounds, 10-12, 30 were the most active derivatives exhibiting more than 90 % inhibition of mycobacterial growth at 12.5 microg/mL. Structure-activity relationships study was performed for the given series by using the Electronic-Topological Method combined with Neural Networks (ETM-NN). A system of prognosis was developed as the result of training associative neural network (ASNN) using weights of pharmacophoric fragments as descriptors. Descriptors were calculated by the projection of ETM compound and pharmacophoric fragments on the elements of Kohonen's self-organizing maps (SOM). From the detailed analysis of all compounds under study, the necessary requirements for a compound to possess antituberculosis activity were formulated. The analysis have shown that any requirements violation for a molecule implies a considerable decrease or even complete loss of its activity.
The 1H-pyrazole-3-carboxylic acid 2 was converted in good yield (69%) into the corresponding 1H-pyrazole-3-carboxamide 5 via reaction of the acid chloride 3 with 2,3-diaminopyridine (4). A different product, the 3H-imidazo[4,5-b] pyridine derivative 6, was formed from the reaction of 3 with 4 and base in benzene for 5 hours. The structures of the synthesized compounds were determined spectroscopically. The mechanism of the reaction between 3 and 4 was examined theoretically.
In order to reduce the risks of death rates, neglecting by the observers, and sometimes the little number of the medical staff in hospital, A monitoring system based microcontroller in neonatal incubator was developed in this article. An interfacing process is made between the infant, infant incubator, and the computer, by taking the temperature readings and send the results to doctor's or the person who in- charge's phone through Short Messages Service, and to a personal computer PC, with sound alarm on the incubator, every given period of time; A temperature sensor is interfaced with a configured single inline module SIM of phone, the temperature reading that obtained from interfacing method is combined with the readings of the incubator sensor, then the final result will be taken from the microcontroller because it will be more accurate than the incubator’s thermometer.
This system was designed only to check and give an alarm if there was any unaccepted change in temperature due to the normal temperature ranges.
In this study, the density functional theory (DFT) at the gradient-corrected correlation functional of Lee-Yang-Parr (B3LYP) functional with 6-311++G(2d,2p), correlation-consistent, polarized valence, X-zeta (cc-pVTZ) basis sets, BP86 functional with/6-311++G(2d,2p) basis set and ab initio calculations using the Hartree-Fock (HF)/6-311++G(2d,2p) methods in gas and water phase of neutral and protonated forms of molecules were performed on six thiosemicarbazone derivatives, namely 4-methyl acetophenone thiosemicarbazone (Inh 1), 4-methoxy acetophenone thiosemicarbazone (Inh 2), Benzaldehyde thiosemicarbazone (Inh 3), 4-methoxy benzaldehyde thiosemicarbazone (Inh 4), 4-ethyl benzaldehyde thiosemicarbazone (Inh 5) and 4-bromo benzaldehyde thiosemicarbazone (Inh 6). The quantum chemical parameters/descriptors, namely, dipole moment (D), highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), HOMO-LUMO energy gap (E), absolute electronegativity (χ), absolute hardness (η), softness (σ), proton affinity (PA), electrophilicity (ω) and nucleophilicity (ɛ) were calculated and correlated with the experimental inhibition efficiencies (%IE). It was observed that the theoretical and experimental results were in good agreement.
Apheresis is an essential step in clinical diagnostic. Searching for a safe and fast way was necessary to avoid wasting time and obtain the desired results efficiently. <span lang="EN-US">This research includes two stages: First, a microfluidic biochip with the properties of fast processing response, automation capability, and low-cost was designed having a tiny mesh-type channel that filters pure plasma from the blood components and a straight channel to deliver the pure plasma to a tank. Second, an automated system was designed to detect blood calcium levels using a microcontroller and a colors-detection sensor TCS3200-DB. The device is designed to take a 0.15 to 2.15 mg/dL, 10-160 µm blood sample, which is considered small compared to the samples taken for the blood apheresis process used in laboratories where a substantial quantity of pure plasma is obtained naturally. Pure plasma is mixed with calcium detectors R1 and R2 to get a violet-colored solution with a wavelength between 390 nm to 440 nm. The results of the proposed device were compared with the traditional methods used spectroscopy method using concentrations of 10 different blood samples, and the results proved that there is a slight error between the two processes.</span>
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