Quantum chemical study on the adsorption of megazol drug on the pristine BC<sub>3</sub>nanosheet

Pang, Xu; Cao, Jiyin; Cheng, Yih–Shyang; Wang, Longting; Wu, Liang

doi:10.1080/10610278.2021.1938049

Cited by 58 publications

(13 citation statements)

References 27 publications

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“…The effect of temperature on the adsorption of CH 4 gas is in accordance with the previous studies ( Liu et al, 2020 ; Ullah et al, 2020 ). Pressure has also affected the performance of CH 4 gas adsorption ( Xiao et al, 2009 ; Xu et al, 2021 ). According to the PV= znRT equation, the Ta-MOF/PEBA fibrous sample has a remarkable adsorption rate at high pressures.…”

Section: Resultsmentioning

confidence: 99%

RETRACTED: Electrospun Ta-MOF/PEBA Nanohybrids and Their CH4 Adsorption Application

Jasim

Hadi

Jalil³

et al. 2022

Front. Chem.

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For the first time, biocompatible and biodegradable Ta-metal organic framework (MOF)/polyether block amide (PEBA) fibrous polymeric nanostructures were synthesized by ultrasonic and electrospinning routes in this study. The XRD peaks of products were wider, which is due to the significant effect of the ultrasonic and electrospinning methods on the final product. The adsorption/desorption behavior of the nanostructures is similar to that of the third type of isotherm series, which showed mesoporous behavior for the products. The sample has uniform morphology without any evidence of agglomeration. Since the adsorption and trapping of gaseous pollutants are very important, the application of the final Ta-MOF/PEBA fibrous polymeric nanostructures was investigated for CH4 adsorption. In order to achieve the optimal conditions of experiments and also systematic studies of the parameters, fractional factorial design was used. The results showed that by selecting temperature 40°C, time duration 35 min, and pressure 3 bar, the CH4 gas adsorption rate was near 4 mmol/g. Ultrasonic and electrospinning routes as well as immobilization of Ta-MOF in the PEBA fibrous network affect the performance of the final products for CH4 gas adsorption.

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Section: Resultsmentioning

confidence: 99%

RETRACTED: Electrospun Ta-MOF/PEBA Nanohybrids and Their CH4 Adsorption Application

Jasim

Hadi

Jalil³

et al. 2022

Front. Chem.

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“…Accordingly, several approaches were investigated for the removal of heavy metals including chemical precipitation, electrodialysis, electrocoagulation, membrane filtration, adsorption, and photocatalysis . Recently, adsorption has been a significant interest area with a special focus on recognizing low-cost adsorbents. − …”

Section: Introductionmentioning

confidence: 99%

Structural and Adsorptive Characteristics of 2D Multilayer Nanoflakes of NiCo Phosphates for Chromium(VI) Removal: Experimental and Monte Carlo Simulations

et al. 2022

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Metal phosphates are efficient adsorbent materials for heavy elements present in industrial effluents because of their promising properties. Hexachromium ions are among the most dangerous contaminants owing to their harmful properties and non-degradability. Accordingly, the present work offers a simplified study of the preparation of bimetallic phosphate materials from nickel cobalt phosphate (NiCo-Ph) based on the sol–gel method in an equimolar ratio. Characterization of the bulk, crystal phase, texture profile, and nanosize of NiCo-Ph was carried out using various techniques such as Fourier transform infrared spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, nitrogen adsorption–desorption isotherm measurements, field emission scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy. In this regard, the adsorption performance of NiCo-Ph was exemplified through six batch experiments, elucidating the impacts of the sorbent dose, initial concentration of pollutants, sorption time, temperature, pH, and shaking rate. According to UV/vis spectrophotometry measurements and their related calculations of NiCo-Ph, the maximum removal efficiency (RE %) of 92% and adsorption capacity ( q m ) of 37 mg/g were achieved at pH = 6, a dose of 5.0 g/L, 100 mg/L of [Cr(VI)], 300 rpm, adsorption time of 60 min, and 298 K. Monte Carlo simulations were also carried out to correlate the experimental data with theoretical calculations that provided a higher negative value (−911.62 kcal mol –1 ) for the adsorption energy of Cr(VI) in acidic medium. The adsorbent NiCo-Ph prepared by this direct method is therefore recommended for the quantification of Cr(VI) under slightly acidic solutions and at room temperature, which can maintain its efficiency even up to six cycles.

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“…The accuracy of all of these selected models was further confirmed by the normal plot of residuals [ 39 ]. The prescribed statistical application will not be applied for this as the visual inspection graph is acceptable [ 40 , 41 ]. For all of the selected responses, all of the studentized residuals were distributed nearer to the straight line, confirming that the chosen model can be accepted statistically [ 42 , 43 ].…”

Section: Resultsmentioning

confidence: 99%

Development of Nanocrystal Compressed Minitablets for Chronotherapeutic Drug Delivery

Sreeharsha

Naveen²,

Anitha³

et al. 2022

Pharmaceuticals

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The present work aimed to develop a chronotherapeutic system of valsartan (VS) using nanocrystal formulation to improve dissolution. VS nanocrystals (VS-NC) were fabricated using modified anti-solvent precipitation by employing a Box–Behnken design to optimize various process variables. Based on the desirability approach, a formulation containing 2.5% poloxamer, a freezing temperature of −25 °C, and 24 h of freeze-drying time can fulfill the optimized formulation’s requirements to result in a particle size of 219.68 nm, 0.201 polydispersity index, and zeta potential of −38.26 mV. Optimized VS-NC formulation was compressed (VNM) and coated subsequently with ethyl cellulose and HPMC E 5. At the same time, fast dissolving tablets of VS were designed, and the best formulation was loaded with VNM into a capsule size 1 (average fill weight—400–500 mg, lock length—19.30 mm, external diameter: Cap—6.91 mm; Body—6.63 mm). The final tab in cap (tablet-in-capsule) system was studied for in vitro dissolution profile to confirm the chronotherapeutic release of VS. As required, a bi-pulse release of VS was identified with a lag time of 5 h. The accelerated stability studies confirmed no significant changes in the dissolution profiles of the tab in cap system (f2 similarity profile: >90). To conclude, the tab in cap system was successfully developed to induce a dual pulsatile release, which will ensure bedtime dosing with release after a lag-time to match with early morning circadian spikes.

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Quantum chemical study on the adsorption of megazol drug on the pristine BC₃nanosheet

Cited by 58 publications

References 27 publications

RETRACTED: Electrospun Ta-MOF/PEBA Nanohybrids and Their CH4 Adsorption Application

RETRACTED: Electrospun Ta-MOF/PEBA Nanohybrids and Their CH4 Adsorption Application

Structural and Adsorptive Characteristics of 2D Multilayer Nanoflakes of NiCo Phosphates for Chromium(VI) Removal: Experimental and Monte Carlo Simulations

Development of Nanocrystal Compressed Minitablets for Chronotherapeutic Drug Delivery

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Quantum chemical study on the adsorption of megazol drug on the pristine BC3nanosheet

Cited by 58 publications

References 27 publications

RETRACTED: Electrospun Ta-MOF/PEBA Nanohybrids and Their CH4 Adsorption Application

RETRACTED: Electrospun Ta-MOF/PEBA Nanohybrids and Their CH4 Adsorption Application

Structural and Adsorptive Characteristics of 2D Multilayer Nanoflakes of NiCo Phosphates for Chromium(VI) Removal: Experimental and Monte Carlo Simulations

Development of Nanocrystal Compressed Minitablets for Chronotherapeutic Drug Delivery

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Quantum chemical study on the adsorption of megazol drug on the pristine BC₃nanosheet