The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of Methyl N-({[2-(2-methoxyacetamido)-4-(phenylsulfanyl) phenyl]amino} [(methoxycarbonyl)imino]methyl)carbamate have been investigated using HF and DFT levels of calculations. The geometrical parameters are in agreement with XRD data. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. Molecular electrostatic potential study was also performed. The first and second hyperpolarizability was calculated in order to find its role in nonlinear optics. Molecular docking studies are also reported. Prediction of Activity Spectra analysis of the title compound predicts anthelmintic and antiparasitic activity as the most probable activity with Pa (probability to be active) value of 0.808 and 0.797, respectively. Molecular docking studies show that both the phenyl groups and the carbonyl oxygens of the molecule are crucial for bonding and these results draw us to the conclusion that the compound might exhibit pteridine reductase inhibitory activity.
High-energy electron (2.0 MV) and gamma irradiation (60Co) has been used to modify polymeric silicone fluids of initial viscosities in the range, 90-700 cSt. Doses of electron and gamma radiation were delivered at rates of 0.246 kGy s(-1) and 15 kGy h(-1), respectively, exposure times being adjusted to ensure energy deposition in the range 30-360 kGy. Measurements were made using a differential viscometer based on a Bose Institute design. In line with expectation, samples of greater initial molecular weight (and hence greater viscosity), were observed to be more susceptible to radiation induced cross-linking than those of lower molecular weight. The role of dose rate and oxygen diffusion in determining the extent of change is discussed.
Increased primary plankton productivity was observed in a brackish water lagoon of Terengganu during the study period between January 1988 to December 1988. The lagoon is also the site for the fish cage culture activities of sea bass during the study period. An examination of water quality at the sampling stations during the study period indicated that both the organic and inorganic nutrients were high during the pre-monsoon period. The source of the nutrient in the lagoon was believed to be derived from the agro-based industrial effluents, fertilisers from paddy fields as well as untreated human and animal wastes. This coincided with the peak production of plankton in the surface waters of the brackish water lagoon. During this period both cultured and indigenous fish species were seen to suffer from oxygen asphyxiation (suffocation due to lack of oxygen). The primary productivity values ranged from 9 to 22 μg/L/h during the peak period while the microplankton species were composed of diatom, flagellates and dinoflagellates. Reduction in the primary productivity values were obtained with reduction in sallinity, specially during the peak monsoon months (November to March) corresponding to the Northeast monsoon period.
Regular endurance training improves muscle oxidative capacity and reduces the risk of age-related disorders. Understanding the molecular networks underlying this phenomenon is crucial. Here, by exploiting the power of computational modeling, we show that endurance training induces profound changes in gene regulatory networks linking signaling and selective control of translation to energy metabolism and tissue remodeling. We discovered that knockdown of the mTOR-independent factor Eif6, which we predicted to be a key regulator of this process, affects mitochondrial respiration efficiency, ROS production, and exercise performance. Our work demonstrates the validity of a data-driven approach to understanding muscle homeostasis.
Mohammad Anwar Mohamed Iqbal, Muhammad Zulhelmi Nazri, Mohammad Norazmi Ahmad, Erna Normaya Abdullah, Umie Fatihah Mohamad Haziz, Mohd Rizal Razali, et al.
Silver (I) dicyanonitrosomethanide, Ag[ONC(CN)2] represent a 3D interwoven coordination polymer organization in which all the donor atoms of the functional groups of ONC(CN)2- are coordinated to the Ag(I). Oxidation of styrene utilizing H2O2 as an oxidant in acetonitrile (CH3CN) was used as a model reaction to investigate the catalytic potential of the Ag (I) complex. The CH3CN was chosen as the solvent based on the data collected from Conductor like Screening Model for Real Solvents (COSMO-RS) study. The data indicate that the Ag [ONC(CN)2] complex was compatible and soluble in CH3CN. Different parameters such as styrene:H2O2 molar ratio, reaction time, catalyst mass, and reaction temperature were studied. Highest styrene conversion (36%) with 100% selectivity towards benzaldehyde (BZ) was achieved when 25 mg catalyst, 1:1 styrene to H2O2 molar ratio were used. The reaction was carried out at 303 K for 3 h. The catalytic conversion of styrene to BZ is proposed to take place via [Ag-H2O2] adduct with styrene oxide (StO) as an intermediate. Molecular Electrostatic Potential (MEP) shows that the Ag atom has the highest probability to coordinate with the oxygen atom of H2O2. The MEP data confirms the proposed mechanism.
To investigate the interaction of zinc oxide nanoparticles (ZnO NPs) with fly ash soil (FAS) for the reduction of metals from FAS by Parthenium hysterophorus were studied. The average accumulation of metals by P. hysterophorus stem were Fe 79.6%; Zn 88.5%; Cu 67.5%; Pb 93.6%; Ni 43.5% and Hg 39.4% at 5.5 g ZnO NP. The concentration of ZnO NP at 1.5 g did not affect the metals accumulation, however at 5.5 g ZnO NP showed highest metal reduction was 96.7% and at 10.5-15.5 g ZnO NP of 19.8%. The metal reduction rate was R max for Fe 16.4; Zn 21.1; Pb 41.9; Hg 19.1 was higher than Ni 6.4 and Cu 11.3 from the FAS at 5.5 g ZnO NP whereas, the reduction rate of Pb showed highest. With doses of 5.5 g ZnO NP the biomass increased upto 78%; the metal reduced upto 98.7% with the share of 100% ZnO NP from FAS. Further investigation with phytotoxicity the plant reactive oxygen species (ROS) production were affected due was mainly due to the recovery of metals from FAS (R2 = 0.99).
Assessment of the treatment performance in the field-scale hybrid constructed wetland (CW) for ammonia manufacturing plant remains limited. After being in operations running on and off since 2014, the hybrid CW which treats effluent from the ammonia manufacturing plant in Peninsular, Malaysia has recently demonstrated the full clogging to the CW. It takes only 8 months to demonstrate a big deterioration of performance in 2019. Though the mechanism of clogging is not clear, which can be partially from inherent design problems or operational issues, nonetheless, it is important to evaluate how this clogging has impacted the effluent treatment performance and the continuous utilization of the CW. The purpose of this study is to evaluate the impact of the treatment performance on the ammoniacal nitrogen and COD removal when the CW is clogged. The result revealed that there is no impact on COD removal, but it has a substantial impact on the ammoniacal nitrogen removal. The ammoniacal nitrogen removal dropped to negative (outlet concentration is higher than inlet concentration) during the clogged period. Another observation is, the low removal rate also coincides with a high COD/N ratio, when the COD/N ratio increased to >2, the ammoniacal nitrogen removal rate dropped substantially, with the coefficient of determination, R2 of 40.5%. The root cause for the clogging to develop in a short period of time is unidentified. However, it is still worth noting that COD and ammoniacal nitrogen efficiency did not behave the same at the clogged CW.
This paper reports the synthesis of two-dimensional, hierarchical, porous, and (001)-faceted metal (Ag, Zn, and Al)-doped TiO2 nanostructures (TNSs) and the study of their photocatalytic activity. Two-dimensional metal-doped TNSs were synthesized using the hydrolysis of ammonium hexafluorotitanate in the presence of hexamethylenetetramine and metal precursors. Typical morphology of metal-doped TNSs is a hierarchical nanosheet that is composed of randomly stacked nanocubes (dimensions of up to 5 μm and 200 nm in edge length and thickness, respectively) and has dominant (001) facets exposed. Raman analysis and X-ray photoelectron spectroscopy results indicated that the Ag doping, compared to Zn and Al, much improves the crystallinity degree and at the same time dramatically lowers the valence state binding energy of the TNS and provides an additional dopant oxidation state into the system for an enhanced electron-transfer process and surface reaction. These are assumed to enhance the photocatalytic of the TNS. In a model of photocatalytic reaction, that is, rhodamine B degradation, the AgTNS demonstrates a high photocatalytic activity by converting approximately 91% of rhodamine B within only 120 min, equivalent to a rate constant of 0.018 m-1 and ToN and ToF of 94 and 1.57 min-1, respectively, or 91.1 mmol mg-1 W-1 degradation when normalized to used light source intensity, which is approximately 2 times higher than the pristine TNS and several order higher when compared to Zn- and Al-doped TNSs. Improvement of the crystallinity degree, decrease in the defect density and the photogenerated electron and hole recombination, and increase of the oxygen vacancy in the AgTNS are found to be the key factors for the enhancement of the photocatalytic properties. This work provides a straightforward strategy for the preparation of high-energy (001) faceted, two-dimensional, hierarchical, and porous Ag-doped TNSs for potential use in photocatalysis and photoelectrochemical application.
Nanofiltration membranes technology commonly used for wastewater treatment especially
wastewater containing charged and/or uncharged species. Commonly, textile wastewater
possesses high chemical oxygen demand (COD) and non-biodegradable compounds such as
pigments and dyes which lead to environmental hazard and serious health problem. Therefore, the
objective of this study was to investigate the effects of hydrophilic surfactant on the preparation and
performance of Active Nanofiltration (ANF) membrane. The polymeric ANF membranes were
prepared via dry/wet phase inversion technique by immersion precipitation process. The
Cetyletrimethylammonium bromide (CTAB) as cationic surfactant was added in casting solution at
concentrations from 0 to 2.5 wt%. The synthesized membrane performance was evaluated in terms
of pure water permeation (PWP) and dye rejection. The experimental data showed that the
membrane demonstrated good increment of PWP ranging from 0.27 to 10.28 L/m2
h at applied
pressure from 100 to 500kPa, respectively. Meanwhile, the ANF membranes achieved high
removal of Methyl Blue and Reactive Black 5 dye up to 99.5% and 91.6%, respectively.
Wastewater from industrial plants such as textile, electroplating and petroleum refineries contains various substances that tend to increase the chemical oxygen demand (COD) of the wastewater. Therefore, it is desired to develop a process suitable for treating the wastewater to meet the regulatory limits. This work was conducted to investigate the potential of adapted single culture of A. baumannii, A.calcoaceticus and C.cellulans in reducing COD in real textile wastewater. The study was carried out by adapting each single culture (10% inoculums) to increasing concentration (1%, 2.5 %, 5%, 7.5 % and 10%) of textile wastewater. Then it was introduced to the textile effluent without pH adjustment for five days and the COD values were measured. The textile wastewater was supplemented with pineapple waste for bacterial growth and metabolism. Results obtained showed that pineapple waste was a good nutrient supply for the growth of the bacteria and the best concentration of textile wastewater for adaptation was at 2.5%. The results also showed that A.calcoaceticus shows highest COD reduction with 67% removal whereas A. baumannii and C.cellulans with 60% and 58% removal respectively. The outcome supported that the single culture used in this study showed considerably high reduction of COD from real textile wastewater.
he deficiency of oxygen in water during submergence is one of the frequently perceived environmental factors that limits
or hampers production of the rice cultivation. Rice plants comprise of elongated submerged tissues that help to bear with
the rise of water level in natural location. This characteristic helps the plant to deal with flooding stress. The mechanism
on flooding tolerance and adaptation mostly includes the physiological changes, one of which is the shortened growth
of elongation towards keeping the carbohydrates and energy for production of the antioxidant regulations in rice plants.
Furthermore, molecular studies and gene cloning might help suggest a better understanding of means and adaptations
built-up by rice plants in order to stay alive and to remain active during flooding stress, might help to focus on some
novel approaches to the up gradation as well as improvement on the natural cultivation of rice plants.
A one-pot green sonochemical process assisted by ascorbic acid as the reducing agent to produce highly reduced graphene oxide (rGO) decorated with silver nanoparticles (AgNPs) is demonstrated. A complete removal of oxygen-containing group in the GO sheets was confirmed by no observation of the peak corresponds to C-O, C=O and -OH bond. The unexpected decrease of peak intensity corresponds to sp2 hybridized C=C group is explained by a so-called bond polarity effect. The peak observed at ~400 nm seems to show the presence of AgNPs and the red shifting of C=C peak to ~270 nm after the introduction of ascorbic acid indicates the formation of highly reduced GO. The increase of AgNPs size and the crumpled silk-like morphology after the introduction of ascorbic acid also indicate the aggressive reduction of both AgNPs and GO. The increase of ID/IG ratio after the introduction of ascorbic acid seems to indicate the increase of the number of small sp2 domains, the presence of unrepaired defects and the restoration of the sp2 network. This work provides the promising green sonochemical approach by utilizing non-toxic and environmental-friendly reducing agent to produce highly reduced GO decorated with AgNPs for various applications.
Elemental doping represents a prominent strategy to improve interfacial chemistry in battery materials. Manipulating the dopant spatial distribution and understanding the dynamic evolution of the dopants at the atomic scale can inform better design of the doping chemistry for batteries. In this work, we create a targeted hierarchical distribution of Ti4+, a popular doping element for oxide cathode materials, in LiNi0.8Mn0.1Co0.1O2 primary particles. We apply multiscale synchrotron/electron spectroscopy and imaging techniques as well as theoretical calculations to investigate the dynamic evolution of the doping chemical environment. The Ti4+ dopant is fully incorporated into the TMO6 octahedral coordination and is targeted to be enriched at the surface. Ti4+ in the TMO6 octahedral coordination increases the TM-O bond length and reduces the covalency between (Ni, Mn, Co) and O. The excellent reversibility of Ti4+ chemical environment gives rise to superior oxygen reversibility at the cathode-electrolyte interphase and in the bulk particles, leading to improved stability in capacity, energy, and voltage. Our work directly probes the chemical environment of doping elements and helps rationalize the doping strategy for high-voltage layered cathodes.
In this work, landfill leachate treatment by electrocoagulation process with a novel rotating anode reactor was studied. The influence of rotating anode speed on the removal efficiency of chemical oxygen demand (COD), total dissolved solids (TDS), and total suspended solids (TSS) of raw landfill leachate was investigated. The influence of operating parameters like leachate pH, leachate temperature, current, and inter-distance between the cathode rings and anode impellers on the electrocoagulation performance were also investigated. The results revealed the optimum rotating speed is 150 rpm and increasing the rotating speed above this value led to reducing process performance. The leachate electrocoagulation treatment process favors the neutral medium and the treatment performance increases with increasing current intensity. Furthermore, the electrocoagulation treatment performance improves with increasing leachate temperature. However, the performance reduces with increasing inter-electrode distance.
Prostate cancer has become the second leading cancer in men worldwide. Androgen plays an important role in normal functioning, development, and differentiation of the prostate, and thus is considered to be the most powerful candidate that mediates reactive oxygen species (ROS) balance in the prostate. The elevation of ROS has been associated with the progression and development of this disease. Conventional therapy has shown a high cure rate in patients with localized prostate cancer. Despite the patients respond favorably initially, this therapy fails to response in the advanced stage of the diseases even in the absence of androgens. Indeed, the onset and progression of prostate cancer could be prevented by changing dietary habits. Much information indicates that oxidative stress and prostate cancer can be modulated by dietary components rich in antioxidants. While there is substantial evidence to suggest an association between prostate cancer risk and ROS-mediated oxidative stress; therefore, the interactions and mechanisms of this phenomenon are worth to discuss further. This review aimed to discuss the mechanisms of action of oxidative stress involved in the progression of prostate cancer. We also highlighted how some of the vital dietary components dampen or exacerbate inflammation, oxidative stress, and prostate cancer. Overall, the reported information would provide a useful approach to the prevention of prostate cancer.
Increasing agricultural irrigation to counteract a soil moisture deficit has resulted in the production of hazardous agricultural wastewater with high turbidity and chemical oxygen demand (COD). An innovative, sustainable, and effective solution is needed to overcome the pollution and water scarcity issues caused by the agricultural anthropogenic processes. This research focused on a sustainable solution that utilized a waste (broken lentil) as natural coagulant for turbidity and COD removal in agricultural wastewater treatment. The efficiency of the lentil extract (LE), grafted lentil extract (LE-g-DMC) and aluminium sulphate (alum) coagulants was optimized through the response surface methodology. Three-level Box-Behnken design was used to statistically visualize the complex interactions of pH, concentration of coagulants and settling time. LE achieved a significant 99.55% and 79.87% removal of turbidity and COD at pH 4, 88.46 mg/L of LE and 6.9 minutes of settling time, whereas LE-g-DMC achieved 99.83% and 80.32% removal of turbidity and COD at pH 6.7, 63.08 mg/L of LE-g-DMC and 5 minutes of settling time. As compared to alum, LE-g-DMC required approximately 30% less concentration. Moreover, LE and LE-g-DMC also required 75% and 65% less settling time as compared to the alum. Both LE and LE-g-DMC produced flocs with excellent settling ability (5.77 mg/L and 4.48 mL/g) and produced a significant less volume of sludge (10.60 mL/L and 8.23 mL/L) as compared with the alum. The economic analysis and assessments have proven the feasibility of both lentil-based coagulants in agricultural wastewater treatment.
Zinc oxide (ZnO) nanoparticles (NPs) has become as promising candidate for antibacterial agents against Escherichia coli (E.coli), commensal hospital- acquired infections (HAIs). This study investigates the antibacterial action of ZnO NPs in three difference shapes; nanorod, nanoflakes and nanospheres against E.coli ATCC 25922. The antibacterial activity of ZnO NPs was determine through two standard protocols known as Clinical Laboratory Standards Institute (CLSI) MO2-A11 under light conditions of 5.70 w/m2 and American standard test method (ASTM) E-2149. Preliminary screening shows ZnO NPs did not inhibit the growth of E.coli. Further analysis using ASTM E-2149 in dynamic conditions revealed antibacterial activity after 3 hours with 100% reduction for ZnO NPs nanoflakes and 6 hours with 94.63% reduction for ZnO nanospheres, respectively. It demonstrated the ZnO NPs in nanoflakes and nanospheres exerted higher antibacterial activity possibly through release of ios, free radicals, ROS generation and electrostatic collision which contribute to bacterial death. Further analysis is needed to investigate biocompatibility of these samples for future biomedical applications.
Despite the importance of studying the instability of delithiated cathode materials, it remains difficult to underpin the degradation mechanism of lithium-rich cathode materials due to the complication of combined chemical and structural evolutions. Herein, we use state-of-the-art electron microscopy tools, in conjunction with synchrotron X-ray techniques and first-principle calculations to study a 4d-element-containing compound, Li2Ru0.5Mn0.5O3. We find surprisingly, after cycling, ruthenium segregates out as metallic nanoclusters on the reconstructed surface. Our calculations show that the unexpected ruthenium metal segregation is due to its thermodynamic insolubility in the oxygen deprived surface. This insolubility can disrupt the reconstructed surface, which explains the formation of a porous structure in this material. This work reveals the importance of studying the thermodynamic stability of the reconstructed film on the cathode materials and offers a theoretical guidance for choosing manganese substituting elements in lithium-rich as well as stoichiometric layer-layer compounds for stabilizing the cathode surface.
This study investigates the changes in soldiers' brain executive function at different altitude environments and their relationship with blood oxygen saturation. Stratified sampling was conducted in different altitude 133 active-duty soldiers who were stationed in Weinan (347 m, n = 34), Nyingchi (2,950 m, n = 32), Lhasa (3,860 m, n = 33), and Nagqu (4,890 m, n = 34) for 2 years. The Go/NoGo paradigm with event-related potentials (ERPs) and event-related oscillations (EROs) was used to explore the time and neural oscillation courses of response inhibition. Behavioral results revealed that at the 4,890-m altitude area, the soldiers had the highest false alarm rate, the longest reaction time, and the slowest information transmission rate. The electrophysiological results revealed that NoGo-N2 and N2d decreased with increasing altitude, with significant changes at 3,860 m; the amplitudes of NoGo-P3 and P3d in plateau groups were significantly more negative than the plain and changed significantly at 2,950 m. The results of correlation analysis showed that NoGo-P3 was negatively correlated with altitude (r = -0.358, p = 0.000), positively correlated with SpO2 (r = 0.197, p = 0.041) and information translation rate (ITR) (r = 0.202, p = 0.036). P3d was negatively correlated with altitude (r = -0.276, p = 0.004) and positively correlated with ITR (r = 0.228, p = 0.018). N2d was negatively correlated with ITR (r = 0.204, p = 0.034). The power spectrum analysis of NoGo-N2 and NoGo-P3 showed that the power of δ and θ bands at the plateau area was significantly lower than the plain area and showed a significant step-by-step decrease; the α-band power increases significantly only in the area of 4,890 m. The effect of chronic hypoxia exposure at different altitudes of the plateau on the response inhibition of soldiers was manifested: 3,860 m was the altitude at which the brain response inhibition function decreased during the conflict monitoring stage, and 2,950 m was the altitude at which it dropped during the response inhibition stage. In addition, the soldier's brain's executive function was closely related to SpO2, and a reduction in SpO2 may lead to a decline in response inhibition.
The title compound, [Cd(C6H12NOS2)2(C4H10N2)], features a distorted square-pyramidal coordination geometry about the central Cd(II) atom. The di-thio-carbamate ligands are chelating, forming similar Cd-S bond lengths and define the approximate basal plane. One of the N atoms of the piperazine mol-ecule, which adopts a chair conformation, occupies the apical site. In the crystal, supra-molecular layers propagating in the ac plane are formed via hy-droxy-O-H⋯O(hy-droxy), hy-droxy-O-H⋯N(terminal-piperazine) and coordinated-piperazine-N-H⋯O(hy-droxy) hydrogen bonds; the layers also feature methine-C-H⋯S inter-actions and S⋯S [3.3714 (10) Å] short contacts. The layers stack along the b-axis direction with very weak terminal-piperazine-N-H⋯O(hy-droxy) inter-actions between them. An evaluation of the Hirshfeld surfaces confirms the importance of inter-molecular inter-actions involving oxygen and sulfur atoms.