Predictive QSAR modeling for the antioxidant activity of natural compounds derivatives based on Monte Carlo method

Molecular Diversity - In this research, QSAR modeling was carried out through SMILES of compounds and on the basis of the Monte Carlo method to predict the antioxidant activity of 79 derivatives of...     

Reducing Occupational Noise Propagated from Centrifugal Fan through Dissipative Silencers: A Field Study

Acoustic performance of dissipative silencer was evaluated to determine the effectiveness of perforated duct porosity and absorbent material density in reducing occupational noise exposure propagated from centrifugal fan. Design charts were applied to predict noise reduction and length of a dissipative silencer. Dissipative silencers with various punched duct porosity (14%, 30% and 40%) and sound absorbent density (80 Kg/m³, 120 Kg/m³, and 140 Kg/m³) were designed and fabricated. According to ISO9612 and ISO11820, noise level was measured before and after installing all nine test silencers at fixed workstations around the discharge side of a centrifugal fan in a manufacturing plant. On average, the noise level at the discharge side of a fan without silencer was measured to be 93.6 dBA, whereas it was significantly mitigated by 67.4 dBA to 70.1 dBA after installing all silencers. Dynamic insertion loss for a dissipative silencer with 100 cm length was predicted to be 27.9 dB, which was in agreement with experimental ones. Although, there was no significant differences between insertion loss of silencers, the one with 30% porosity and 120 Kg/m³ rock wool density had the highest insertion loss of 26.2 dBA. Dissipative silencers noticeably reduced centrifugal fan noise exposures. Increasing sound absorbent density and duct porosity up to a certain limit could probably be effective in noise reduction of dissipative silencers.     

Hydrodesulfurization unit for natural gas condensate

Journal of Thermal Analysis and Calorimetry - Nowadays, most of the world’s energy consumption is from fossil fuels. One of these fossil fuels is natural gas condensate which consists of...     

Methylthiouracil‐modified Carbon Paste Electrode as a New Voltammetric Sensor Based on a 1,4‐Michael Addition Reaction for Detection of Dopamine

A sensitive dopamine sensor was constructed based on the modified carbon paste electrode with methylthiouracil as a nucleophile in the 1,4‐Michael addition reaction. An ECE mechanism was suggested for dopamine oxidation at the modified electrode. Design of experiments was used in the optimization of variables. Under the optimum conditions, calibration graph was linear in the range of 0.20–15.0 µM with a detection limit of 73 nM. The relative standard deviations (n=5) for 0.50 µM of dopamine was 3.83 %. The selectivity of the sensor was also studied. The developed sensor was applied for analysis of pharmaceutical and biological samples.     

Quantum conductance investigation on carbon nanotube–based antibiotic sensor

Journal of Solid State Electrochemistry - Nanostructured carbon material (NSCM) based chemiresistive sensors are popular for sensing different analytes because of their high sensitivity, low cost,...     

Synthesis,characterization, and cytotoxic activity studies of new N4O complexes derived from 2-({3-[2-morpholinoethylamino]-N3-([pyridine-2-yl]methyl) propylimino} methyl)phenol

A new unsymmetrical five-coordinate Schiff base ligand (HL) with an N₄O donor set ( 2 ) has been prepared by condensation of N1-(2-morpholinoethyl)-N1-([pyridine-2-yl]methyl)propane-1,3-diamine with 2-hydroxy-benzaldehyde. Metal complexes [ML]ⁿ⁺ (M = Zn²⁺, Cd²⁺, Mn²⁺, Cu²⁺, Ni²⁺, Ag⁺, Fe³⁺, and Co²⁺ ( 3–10 ) were synthesized by the reaction of the ligand and metal salts in ethanol. The resulting products were characterized by elemental analyses, infrared, ¹H and ¹³C nuclear magnetic resonance spectra (in the case of Cd and Zn complexes), UV–Vis, electrospray ionization-mass spectrometric, and conductivity measurements. The structure of the complexes [ZnL](ClO₄) ( 3 ), [CdL](ClO₄) ( 4 ), and [CuL](ClO₄) ( 7 ) has been determined by single-crystal X-ray diffraction analysis. The metal complexes were determined to have a distorted trigonal bipyramidal (Zn and Cd) or a distorted square pyramidal (Cu) geometry. The cytotoxic potential of each compound (1–10) against MCF-7 and MDA-MB-231 (breast cancer cells), PC-3 (prostate cancer cells), and WI-38 human normal lung fibroblast cells was evaluated using the MTT (3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyl tetrazolium bromide) assay. Compounds 1, 2, and 10 did not display any activity toward any cell line tested. None of the compounds except compound 8 was cytotoxic toward PC-3. Compounds 4 and 8 showed the highest cytotoxic activity against the MCF-7 and MDA-MB-231 cell lines. Because compounds 3, 6, and 9 have similar half-maximal inhibitory concentration values against cancer cells and normal cells, these compounds displayed poor selectivity between cancer and normal cells. More importantly, it was observed that compound 5 acts differently toward different types of cell lines. For example, it displays lower cytotoxicity against the WI-38 normal cell line than it does against the MDA-MB-231 cell line.     

Role of sodium decoration on the methane storage properties of BC3 nanosheet

First-principles calculations including dispersion correction are carried out to investigate pristine and Na-decorated graphene-like BC₃ (h-BC₃) for their application as methane storage materials. Structural optimization shows that the methane is physisorbed on the pristine sheet via van der Waals forces with adsorption energy of ?2.7 kcal/mol. It was found that unlike the pristine graphene, sodium decorated sheet can effectively interact with the CH₄ molecule, so that each metal atom bound on sheet may adsorb up to four CH₄. Furthermore, no bond dissociation was observed for the adsorption of CH₄ on Na-decorated h-BC₃, which means that decorated sheet can act as a storage device for methane safety storage. The results indicate that decoration of the Na atom on surface of sheet induces significant changes in electronic properties of the sheet and its E _g is unchanged after adsorption of CH₄ molecules. Theoretical methane storage capacity of Na-decorated BC₃ nanosheet could approach 18.1 wt%.     

MWCNTs@NHBut/PTA: New efficient solid acid catalyst for solvent free synthesis of benzochromenopyrimidines

In this study, a novel and eco‐friendly synthesis of benzochromenopyrimidines catalyzed by phosphotugstic acid immobilized on aminated multiwalled carbon nanotubes (MWCNTs@NHBut/PTA) is reported. New solid acid catalyst was prepared through a simple process with good percentage of organo metallic groups and characterized with FTIR, TEM, SEM, EDX and TGA techniques. Reusable catalytic system provides a convenient, safe and green pathway to generate a variety of benzochromenopyrimidines under mild conditions.     

Rings whose singular ideals are nil

Abstract

It is well known that when a ring R satisfies ACC on right annihilators of elements, then the right singular ideal of R is nil, in this case, we say R is right nil-singular. Many classes of rings whose singular ideals are nil, but do not satisfy the ACC on right annihilators, are presented and the behavior of them is investigated with respect to various constructions, in particular skew polynomial rings and triangular matrix rings. The class of right nil-singular rings contains π-regular rings and is closed under direct sums. Examples are provided to explain and delimit our results.     

Energy and exergy analysis and optimization of a gas turbine cycle coupled by a bottoming organic Rankine cycle

Journal of Thermal Analysis and Calorimetry - In this study, the numerical analysis of energy and exergy has been performed for a gas turbine cycle coupled with an ORC cycle. Validation of current...