This work reports a thermo-kinetic study on unimolecular thermal decomposition of some ethoxyquinolines and ethoxyisoquinolines derivatives (1-ethoxyisoquinoline (1-EisoQ), 2-ethoxyquinoline (2-EQ), ...3-ethoxyquinoline (3-EQ), 3-ethoxyisoquinoline (3-EisoQ), 4-ethoxyquinoline (4-EQ), 4-ethoxyisoquinoline (4-EisoQ), 5-ethoxyquinoline (5-EQ), 5-ethoxyisoquinoline (5-EisoQ), 8-ethoxyquinoline (8-EQ) and 8-ethoxyisoquinoline (8-EisoQ)) using density functional theory DFT (BMK, MPW1B95, M06-2X) and ab initio complete basis set-quadratic Becke3 (CBS-QB3) calculations. In the course of the decomposition of the investigated systems, ethylene is eliminated with the production of either keto or enol tautomer. The six-membered transition state structure encountered in the path of keto formation is much lower in energy than the four-membered transition state required to give enol form. Rate constants and activation energies for the decomposition of 1-EisoQ, 2-EQ, 3-EQ, 3-EisoQ, 4-EQ, 4-EisoQ, 5-EQ, 5-EisoQ, 8-EQ, and 8-EisoQ have been estimated at different temperatures and pressures using conventional transition state theory combined with Eckart tunneling and the unimolecular statistical Rice-Ramsperger-Kassel-Marcus theories. The tunneling correction is significant at temperatures up to 1000 K. Rate constants results reveal that ethylene elimination and keto production are favored kinetically and thermodynamically over the whole temperature range of 400-1200 K and the rates of the processes under study increase with the rising of pressure up to 1 atm.
Automobiles are considered as a large-scale vibrational source what makes automotive is a target to harvest such a considerable kinetic energy otherwise being dissipated by traditional viscous shock ...absorbers. The power dissipation during the damping events can be partially regenerated based on linear or rotary electromagnetic energy-harvesting dampers. This paper analytically discusses the potential power content of a class-6 heavy-duty truck with respect to different driving circumstances. Considering variable speed schedules of heavy vehicles, 10 driving cycles are proposed in creating ISO based random road profiles with variable speed vectors including both aggressive and nonaggressive driving trips. Further, the laden and the unladen truck cases were considered in the analysis with respect to 6-DOFs truck suspension model. Additionally, the energy harvesting and truck comfort were investigated over the running conditions. Given the results, a potential power content of 71–434 W and 287–1733 are available for ISO road grades of C and D, respectively, for a fully-loaded truck. The results suggested that the higher power quantity is related to aggressive body-wheel relative movements in which such conditions are found in case of the aggressive driving events and the vehicles with greater mass such as the heavy trucks and off-road vehicles.
Display omitted
•The wasted kinetic vibrational energy of a heavy truck suspension is investigated.•Both the laden based truck and unladen based truck cases are considered in the analysis.•Energy harvesting and truck comfort responses are investigated over the running conditions.•The power content of a fully-loaded truck is 71–434 W and 287–1733 for ISO-based roads C and D.•The higher power magnitude is related to aggressive body-wheel relative movements.
The tautomerizations mechanism of 4-(methylsulfanyl)-3(1Z)-1-(2-phenylhydrazinylidene) ethyl quinoline-2(1H)-one were inspected in the gas phase and ethanol using density function theory (DFT) M06-2X ...and B3LYP methods. Thermo-kinetic features of different conversion processes were estimated in temperature range 273-333 K using the Transition state theory (TST) accompanied with one dimensional Eckert tunneling correction (1D-Eck). Acidity and basicity were computed as well, and the computational results were compared against the experimental ones. Additionally, NMR, global descriptors, Fukui functions, NBO charges, and electrostatic potential (ESP) were discussed. From thermodynamics analysis, the keto form of 4-(methylsulfanyl)-3-(1Z)-1-(2 phenylhydrazinylidene) quinoline-2(1H)-one is the most stable form in the gas phase and ethanol and the barrier heights required for tautomerization process were found to be high in the gas phase and ethanol ~ 38.80 and 37.35 kcal/mol, respectively. DFT methods were used for UV-Vis electronic spectra simulation and the time-dependent density functional theory solvation model (TDDFT-SMD) in acetonitrile compounds.
Graphical Abstract
Flow of the study design: Blood collected from acute HEV patients were fractiontated into plasma and PBMCs. Plasma was used for cytokine assay. RNA was extracted from the PBMCs and ...used for determinaton of viral load, detection of (+) and (−) HEV RNA strands, and gene expression assay.
Background
Hepatitis E virus (HEV) causes about 14 million infections with 300,000 deaths and 5,200 stillbirths worldwide annually. Extrahepatic manifestations are reported with HEV infections, such as renal, neurological, and hematological disorders. Recently, we reported that stool-derived HEV-1 replicates efficiently in human monocytes and macrophages
in vitro
. However, another study reports the presence of viral RNA but no evidence of replication in the PBMCs of acute hepatitis E (AHE) patients. Therefore, the replication of HEV in PBMCs during AHE infection is not completely understood.
Methods
PBMCs were isolated from AHE patients (
n
= 17) enrolled in Assiut University Hospitals, Egypt. The viral load, positive (+) and negative (−) HEV RNA strands and viral protein were assessed. The gene expression profile of PBMCs from AHE patients was assessed. In addition, the level of cytokines was measured in the plasma of the patients.
Results
HEV RNA was detected in the PBMCs of AHE patients. The median HEV load in the PBMCs was 1.34 × 10
3
IU/ml. A negative HEV RNA strand and HEV open reading frame 2 protein were recorded in 4/17 (23.5%) of the PBMCs. Upregulation of inflammatory transcripts and increased plasma cytokines were recorded in the AHE patients compared with healthy individuals with significantly elevated transcripts and plasma cytokines in the AHE with detectable (+) and (−) RNA strands compared with the AHE with the detectable (+) RNA strand only. There was no significant difference in terms of age, sex, and liver function tests between AHE patients with detectable (+) and (−) RNA strands in the PBMCs and AHE patients with the (+) RNA strand only.
Conclusion
Our study shows evidence for
in vivo
HEV persistence and replication in the PBMCs of AHE patients. The replication of HEV in the PBMCs was associated with an enhanced immune response, which could affect the pathogenesis of HEV.
This paper addresses the size-dependent free vibration of functionally graded viscoelastic (FGV) nanobeams including the simultaneous effects of the microstructure rotation and surface energy for the ...first time. Employing the Bernoulli–Euler beam theory, an internal damping mechanism based on Kelvin–Voigt model is adopted to simulate the viscoelastic behavior of the material. The modified couple stress theory and Gurtin–Murdoch surface elasticity theory are reconsidered and harnessed to capture the viscoelastic microstructure rotation and viscoelastic surface energy effects, respectively. The local-Cauchy stress, couple stress and surface stress tensors are obtained incorporating measures for the elastic and the viscous behaviors of the nanobeam. The elastic and viscous material properties of the bulk and surface of the FGV nanobeam are assumed to vary continuously in thickness direction according to a power law. A variational approach on the basis of D'Alembert's principle is employed to derive exactly the size-dependent governing differential equation and the associated nonclassical boundary conditions. An analytical expression is derived for the complex natural frequencies of a simply supported FGV nanobeam. In the context of linear viscoelasticity, the influences of different parameters such as the material damping, gradient index, material length-scale parameter, surface elasticity, surface residual stress, surface mass density, Poisson effect, thickness, and slenderness ratio on the free vibration of simply supported FGV nanobeams are comprehensively discussed. The results highlighted the profound effects of the small size, surface energy and viscoelastic behavior on the free vibration response of FGV nanobeams.
This study addresses the impacts of metabolites from different microbial taxa on the fabrication and multifunctional biological properties of spherical silver nanoparticles (Ag-NPs). Three microbial ...taxa, a bacterial (Bacillus cereus A1-5), actinomycetes (Streptomyces noursei H1-1), and fungal (Rhizopus stolonifer A6-2) strains were used for Ag-NPs biosynthesis, whereas Streptomyces noursei is demonstrated for the first time. These isolates were identified using either 16S rRNA or ITS gene sequencing. Characterization of Ag-NPs was done using color change analysis, Uv-Vis spectroscopy, FT-IR spectroscopy, XRD, TEM, SEM-EDX, DLS, and Zeta potential analysis. All biosynthesized NPs exhibited spherical shape with different sizes ranged from 6‒50 nm, 6–30 nm and 6–40 nm for NPs obtained by A1-5, H1-1 and A6-2, respectively. The crystalline center cubic face of Ag-NPs was confirmed using XRD at 2θ values 38.08o, 44.27o, 64.41o and 77.36o. FT-IR analysis revealed varied intense absorption peaks for biomolecules required for NPs synthesize by each microbial strain. The stability of spherical Ag-NPs was confirmed due to highly DLS negative surface charge of ‒17.5mV, ‒18.9mV, and ‒15.6mV for NPs synthesized by strains A1-5, H1-1, and A6-2, respectively. Ag-NPs exhibited a broadspectrum of antibacterial activity against Gram-positive and Gram-negative bacteria with varied effectiveness. They also exhibited a cytotoxic effect against cancer cell line (caco-2) in a dose-dependent pattern with IC50 of 8.9 ± 0.5, 5.6 ± 3.0, 11.2 ± 0.5 μg/ml for NPs synthesized by strains A1-5, H1-1, and A6-2, respectively. Moreover, these spherical Ag-NPs showed larvicidal activity against the 3rd instar larvae of the dengue vector Aedes aegypti.
Materials Science; Nanotechnology; Agriculture; Spherical silver nanoparticles; Ag-NPs biosynthesis; Antibacterial; Antitumor activities; Larvicidal; Aedes aegypti
•Lambada-cyhalothrin (LCT) and methomyl suppressed antioxidants and altered fish behavior.•LCT and MTM induced stress and histological architectural lesions in O. niloticus after 60 days ...exposure.•LCT and MTM enhanced the apoptosis in kidney and liver tissues and altered their implementation and capacity.•Taurine (TUR) supplementation in diet rescued the toxicological consequences of pesticides.•TUR-Supplemented diet is a natural promising candidate for aquaculture production.
The existing study was designed to inspect the toxicological consequences of two pesticides; lambda-cyhalothrin (LCT) and methomyl (MTM) and their combination on Nile tilapia (Oreochromis niloticus) behaviors, oxidative stress, hepato-renal function indices and microarchitectural alterations. In addition, the efficiency of taurine (TUR) to rescue their toxicity was also considered. Juvenile O. niloticus were assigned into eight groups. The control and TUR groups were fed on a basal diet and TUR-enriched (10 g kg1) diet, respectively. The other groups were fed on a basal diet, and exposed to LCT (0.079 µg L–1), MTM (20.39 µg L–1 and (LCT + MTM). The last three groups were (LCT + TUR), (MTM + TUR), and (LCT + MTM + TUR) and fed on a TUR-enriched diet during exposure to LCT and/or MTM for 60 days. The exposure to LCT and/or MTM resulted in several behavioral alterations and stress via enhanced cortisol and nor-epinephrine levels. A significant elevation of serum 8-hydroxy-2- deoxyguanosine, aspartate and alanine aminotransferases, lactate dehydrogenase, Alkaline phosphatase, urea, creatinine was also observed in these groups. Furthermore, reduced antioxidant enzymes activities, including (catlase, glutathione peroxidase, and superoxide dismutase) with marked histopathological lesions in both liver and kidney tissues were detected. The up-regulated Bax and down-regulated Bcl-2 proteins were expressed in the liver and kidney tissues of LCT and/or MTM -exposed groups. Interestingly, all the observed alterations in behaviors, biochemical indices, and histo-architecture of renal and hepatic tissues were mitigated by TUR supplementation. The findings suggest that feeding O. niloticus dietary TUR may help to reduce the negative effects of LCT and/or MTM, and can also support kidney and liver health in O. niloticus, making it a promising aquaculture feed supplement.
A comparative study has been conducted by using Monte Carlo FLUKA code and Microshieldsoftware programs to study the radiation shielding properties of plastic waste mixed with nano copper oxide (CuO) ...and phosphotungstic acid (PTA). The variousdiverse percentages of new nanocomposite have been prepared using the compression moulding technique, then they are characterized using Fourier transfer infrared spectrophotometer (FT‐IR), thermal gravimetric analysis (TGA), X‐ray diffraction (XRD). The new nanocomposite has been established as a effective shielding material towards gamma radiation due to the presence of dense materials, like nano copper oxide and phosphotungstic acid. The gamma radiation attenuation has been established by using the previously mentioned methods. The results have proved that the mass attenuation coefficients (μm) and effective atomic (Zeff), and electron densities (Nel) of the samples increased with increasing the phosphotungstic acid (PTA) content while the half‐value layer (HVL), the tenth value layer (TVL), and the mean free path (MFP) decreased as PTA increased.
The endophytic fungus Paecilomyces sp. (AUMC 15510) was isolated from healthy stem samples of the Egyptian medicinal plant Cornulaca monacantha. We used GC-MS and HPLC analysis to identify the ...bioactive constituents of ethyl acetate crude extract of Paecilomyces sp. (PsEAE). Six human microbial pathogens have been selected to evaluate the antimicrobial activity of PsEAE. Our data showed that the extract has significant antimicrobial activity against all tested pathogens. However, the best inhibitory effect was observed against Bacillus subtilis ATCC 6633 and Pseudomonas aeruginosa ATCC 90274 with a minimum inhibitory concentration (MIC) of 3.9 μg/ml and minimum bactericidal concentration (MBC) of 15.6 μg/ml, for both pathogens. Also, PsEAE exerts a significant inhibition on the biofilm formation of the previously mentioned pathogenic strains. In addition, we evaluated the wound healing efficiency of PsEAE on earthworms (Lumbricus castaneus) as a feasible and plausible model that mimics human skin. Interestingly, PsEAE exhibited a promising wound healing activity and enhanced wound closure. In conclusion, Paecilomyces sp. (AUMC 15510) could be a sustainable source of antimicrobial agents and a potential therapeutic target for wound management.
Indiscriminate use of insecticides is a major concern due to its ubiquitous occurrence and potential toxicity to aquatic animals. This study investigated the adverse effects of lambda-cyhalothrin ...(LCT; C23H19ClF3NO3) and methomyl (MTM; C5H10N2O2S) on immune system modulations and growth performance of juvenile fishes. The supportive role of a taurine (TUR; C2H7NO3S)-supplemented diet was also evaluated. Juvenile O. niloticus fishes were exposed to LCT (0.079 µg/L), MTM (20.39 µg/L), or both in water and were fed on a basal diet only or taurine-supplemented basal diet. Exposure to LCT and MTM retarded growth and increased mortality rate. LCT and MTM reduced antioxidant enzyme activities (superoxide dismutase and glutathione peroxidase) and innate and humoral immunity but upregulated interleukin and chemokine expressions. Moreover, exposure to LCT and MTM elevated 8-OHdG levels and increased the mortality of Oreochromis niloticus after the experimental bacterial challenge. The TUR-enriched diet enhanced antioxidant enzymes and acted as a growth promoter and anti-inflammatory agent. TUR can modify innate and adaptive immune responses. Furthermore, TUR supplementation is a beneficial additive candidate for mitigating LCT and MTM toxicities mixed with O. niloticus aquafeed.
PDF
