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1.
ACS Omega ; 7(1): 528-539, 2022 Jan 11.
Artigo em Inglês | MEDLINE | ID: mdl-35036721

RESUMO

The present study explores the CO adsorption properties with graphene, tungsten oxide/graphene composite, and Cr-doped tungsten oxide/graphene composite using density functional theory (DFT) calculations. The results of the study reveal the Cr-doped tungsten oxide/graphene composites, g-CrW n-1O3n (n = 2 to 4), to have a lowered highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energy gap, high surface reactivity, and a strong cluster-graphene binding energy, hence exhibiting a strong adsorption interaction with CO. The CO adsorption interaction shows physisorption properties by having a greater tendency for Mulliken and natural bond orbital (NBO) charge transfer supported by a strong physisorption interaction toward the g-CrW n-1O3n (n = 2 to 4) composite with HOMO-LUMO energy gaps of -0.638, -0.486, and -0.327 eV, respectively. The calculated photoelectron spectroscopy (PES) and infrared spectra combined with the visualized electrostatic potential and contour line confirm the population density of the physisorption interaction. The calculated results show that the g-CrW n-1O3n composite achieves a greater sensing ability by possessing the highest sensitivity, adsorption, and desorption characteristics for n = 2 (g-CrWO6 composite). In conclusion, Cr-doped tungsten oxide/graphene has high sensitivity toward CO gas.

2.
Int J Phytoremediation ; 23(13): 1432-1443, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-33813976

RESUMO

In the present study, a synergistic effect between cationic methylene blue (MB) and anionic acid red 1 (AR1) on their concurrent adsorptive removal from aqueous binary solution onto durian rind (DR) was systematically investigated in batch mode across different parameters. The concurrent adsorption was pseudo-second-order kinetics and followed the Langmuir isotherm model, similar to their respective single component. The kinetics and intraparticle diffusion analyses demonstrated that the adsorption rate of MB was a 15-fold faster than AR1, and mass transports were governed by a combination of intraparticle and film diffusion. The synergistic effect was evidenced by an enhanced adsorption efficiency of AR1 from 27 to 42%, while that of MB was almost unchanged (97-98%). By changing the molar ratios of MB and AR1, it was found that the maximum adsorption capacity of MB and AR1 was 249 and 200 mg g-1, respectively, in the binary system higher compared with those in their respective single system (108 and 16 mg g-1). Overall data indicated that the synergistic effect was due to electrostatic interactions between cationic and anionic synthetic dyes, supported by negatively charged DR surface, leading to the formation of their stacking layers on the adsorbent surface. Novelty statement: A synergistic effect in concurrent adsorptive removal of synthetic dyes from multicomponent wastewater remains a critical research challenge. We believed that electrostatic interaction between ionic dyes could be explored to enhance their removal efficiency. This report is the first time that such a synergistic effect between cationic methylene blue (MB) and anionic acid red 1 (AR1) on their concurrent adsorption from aqueous binary system is systematically investigated. The kinetics, isotherm, thermodynamics, and mechanism of the concurrent adsorption of MB and AR1 attributed to the synergistic effect are elucidated in detail.


Assuntos
Bombacaceae , Poluentes Químicos da Água , Biodegradação Ambiental , Corantes , Concentração de Íons de Hidrogênio , Cinética , Azul de Metileno , Rodaminas , Termodinâmica , Poluentes Químicos da Água/análise
3.
Carbohydr Polym ; 260: 117806, 2021 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-33712152

RESUMO

Chitin-encapsulated cadmium sulfide quantum dots (CdS@CTN QDs) were successfully synthesized from chitin and Cd(NO3)2 precursor using the colloidal chemistry method, toward the development of biocompatible and biodegradable QDs for biomedical applications. CdS@CTN QDs exhibited the nanocrystalline cubic CdS encapsulated by α-chitin. The average particle size of CdS@CTN QDs was estimated using empirical Henglein model to be 3.9 nm, while their crystallite size was predicted using Scherrer equation to be 4.3 nm, slightly larger compared to 3-mercaptopropionic acid-capped CdS QDs (3.2 and 3.6 nm, respectively). The mechanism of formation was interpreted based on the spectroscopic data and X-ray crystal structures of CdS@CTN QDs fabricated at different pH values and mass ratios of chitin to Cd(NO3)2 precursor. As an important step to explore potential biomolecular and biological applications of CdS@CTN QDs, their antibacterial activities were tested against four different bacterial strains; i.e. Escherichia coli, Bacillus subtillus, Staphylococcus aureus and Pseudomonas aeruginosa.


Assuntos
Antibacterianos/química , Materiais Biocompatíveis/química , Quitina/química , Pontos Quânticos/química , Antibacterianos/farmacologia , Materiais Biocompatíveis/farmacologia , Compostos de Cádmio/química , Escherichia coli/efeitos dos fármacos , Tamanho da Partícula , Pseudomonas aeruginosa/efeitos dos fármacos , Staphylococcus aureus/efeitos dos fármacos , Sulfetos/química
4.
RSC Adv ; 11(50): 31807-31816, 2021 Sep 21.
Artigo em Inglês | MEDLINE | ID: mdl-35496871

RESUMO

Low temperature CO2 methanation is a favorable pathway to achieve high selectivity to methane while increasing the stability of the catalysts. A Ba promoted Ni/Sm2O3 catalyst was investigated for CO2 methanation at atmospheric pressure with the temperature ranging from 200-450 °C. 5Ni-5Ba/Sm2O3 showed significant enhancement of CO2 conversion particularly at temperatures ≤ 300 °C compared to Ni/Sm2O3. Incorporation of Ba into 5Ni/Sm2O3 improved the basicity of the catalysts and transformed the morphology of Sm2O3 from random structure into uniform groundnut shape nanoparticles. The uniformity of Sm2O3 created interparticle porosity that may be responsible for efficient heat transfer during a long catalytic reaction. Ba is also postulated to catalyze oxygen vacancy formation on Sm2O3 under a reducing environment presumably via isomorphic substitution. The disappearance of a high temperature (∼600 °C) reduction peak in H2-TPR analysis revealed the reducibility of NiO following impregnation with Ba. However, further increasing the Ba loading to 15% formed BaNiO3-BaNiO2.36 phases which consequently reduced the activity of the Ni-Ba/Sm2O3 catalyst at low temperature. Ni was suggested to segregate from BaNiO3-BaNiO2.36 at high temperature thus exhibiting comparable activity with Ni/Sm2O3 at 450 °C.

5.
Sci Total Environ ; 711: 135066, 2020 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-32000337

RESUMO

Size tunable mesoporous carbon microspheres, MCMs were obtained using Pluronic F127 and gelatin in co-templating method via hydrothermal and pyrolysis treatments. The presence of gelatin increased the mechanical strength of Pluronic F127 which can sustain the uniform microspherical structure of carbon following pyrolysis at 950 °C. The diameter of MCMs were controlled by variation of weight ratios between Pluronic F127 to gelatin from 1:0.01 to 1:1. MCMs exhibited inter-particulate mesoporous structure with high thermal stability (<500 °C). The MCMs were used as adsorbent for removal of ibuprofen and the kinetic studies using linear regression analysis revealed the adsorption fits pseudo second-order kinetic. The rate of adsorption and the amount of adsorbed ibuprofen were correlated well with the surface area and the crystallite size of MCMs. The efficiencies of ibuprofen adsorption on MCMs were also investigated when ibuprofen was dissolved at different concentration of water and hexane mixtures, the effect temperature variation and the amount MCMs to the volume of ibuprofen solution.


Assuntos
Microesferas , Carbono , Gelatina , Ibuprofeno , Cinética , Poloxâmero
6.
Sci Rep ; 9(1): 9207, 2019 Jun 25.
Artigo em Inglês | MEDLINE | ID: mdl-31239452

RESUMO

Low power consumption, fast response and quick recovery times are important parameters for gas sensors performance. Herein, we report the experimental and theoretical studies of ZnO and Cr doped ZnO nanostructures used in low temperature (50 °C) sensors for the detection of CO. The synthesized films were characterized by XRD, UV-Vis, FE-SEM and EDX. The XRD patterns for the ZnO and 0.5 wt% Cr/ZnO films confirm the formation of a single-phase hexagonal wurtzite structure. The reduction of the ZnO optical band gap from 3.12 eV to 2.80 eV upon 0.5 wt% Cr doping is well correlated with the simulation data. The FE-SEM images of the films show spherical morphology with the estimated particle sizes of about ~40 nm and ~ 25 nm were recorded for the ZnO and 0.5 wt% Cr/ZnO films, respectively. Enhanced gas sensing performance is achieved with Cr doping and the sensitivity of ZnO increases from 9.65% to 65.45%, and simultaneously decreasing the response and recovery times from 334.5 s to 172.3 s and from 219 s to 37.2 s, respectively. These improvements in gas sensing performance are due to the reduction in particle size and optical band gap, and an increase in specific surface area.

7.
RSC Adv ; 9(59): 34283-34292, 2019 Oct 23.
Artigo em Inglês | MEDLINE | ID: mdl-35529968

RESUMO

This study presents a novel and ultrasensitive electrochemiluminescence approach for the quantitative assessment of creatine kinase MB (CK-MB). Both carbon, carbon nano-onions (CNOs) and metal-based nanoparticles, such as gold nanoparticles (AuNPs) and iron oxide (Fe3O4), were combined to generate a unique nanocomposite for the detection of CKMB. The immunosensor construction involved the deposition of the nanocomposite on the working electrode, followed by the incubation of an antibody and a blocking agent. Tris(2,2'-bipyridyl)-ruthenium(ii) chloride ([Ru(bpy)3]2+Cl) was used as a luminophore, where tri-n-propylamine (TPrA) was selected as the co-reactant due to its aqueous immobility and luminescence properties. The analytical performance was demonstrated by cyclic voltammetry on ECL. The characterization of each absorbed layer was performed by cyclic voltammetry (CV) and chronocoulometry (CC) techniques in both EC and ECL. For further characterization of iron oxide, gold nanoparticles and carbon nano-onions, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD) were performed. The proposed immunosensor showcases a wide linear range (10 ng mL-1 to 50 fg mL-1), with an extremely low limit of detection (5 fg mL-1). This CKMB immunosensor also exhibits remarkable selectivity, reproducibility, stability and resistance capability towards common interferences available in human serum. In addition, the immunosensor holds great potential to work with real serum samples for clinical diagnosis.

8.
Drug Des Devel Ther ; 12: 481-494, 2018.
Artigo em Inglês | MEDLINE | ID: mdl-29563773

RESUMO

Background: Peritonitis is the most serious complication of peritoneal dialysis. Staphylococcus aureus infections could lead to peritonitis which causes reversal of peritoneal dialysis treatment back to hemodialysis. The aim of this study was to develop a controlled release silicone adhesive-based mupirocin patch for prophylactic effect and analyze its antibacterial effectiveness against S. aureus. Methods: The matrix patches were prepared by using different polymers, with and without silicone adhesive, dibutyl sebacate and mupirocin. The patches were characterized for mechanical properties, drug content, moisture content, water absorption capacity and Fourier transform infrared spectrum. In vitro release studies were performed by using Franz diffusion cell. In vitro disk diffusion assay was performed on the Mueller-Hinton Agar plate to measure the zone of inhibition of the patches. The in vivo study was performed on four groups of rats with bacterial counts at three different time intervals, along with skin irritancy and histopathologic studies. Results: The patches showed appropriate average thickness (0.63-1.12 mm), tensile strength (5.08-10.08 MPa) and modulus of elasticity (21.53-42.19 MPa). The drug content ranged from 94.5% to 97.4%, while the moisture content and water absorption capacities at two relative humidities (75% and 93%) were in the range of 1.082-3.139 and 1.287-4.148 wt%, respectively. Fourier transform infrared spectra showed that there were no significant interactions between the polymer and the drug. The highest percentage of drug release at 8 hours was 47.94%. The highest zone of inhibition obtained was 28.3 mm against S. aureus. The in vivo studies showed that the bacterial colonies were fewer at 1 cm (7×101 CFU/mL) than at 2 cm (1.3×102 CFU/mL) over a 24-hour period. The patches were nonirritant to the skin, and histopathologic results also showed no toxic or damaging effects to the skin. Conclusion: The in vitro and in vivo studies indicated that controlled release patches reduced the migration of S. aureus on the live rat skin effectively, however, a longer duration of study is required to determine the effectiveness of the patch on a suitable peritonitis-induced animal model.


Assuntos
Antibacterianos/farmacologia , Mupirocina/farmacologia , Silicones/farmacologia , Pele/efeitos dos fármacos , Staphylococcus aureus/efeitos dos fármacos , Animais , Antibacterianos/química , Relação Dose-Resposta a Droga , Masculino , Testes de Sensibilidade Microbiana , Estrutura Molecular , Mupirocina/química , Ratos , Ratos Sprague-Dawley , Silicones/química , Pele/microbiologia , Relação Estrutura-Atividade
9.
Bioimpacts ; 7(4): 227-239, 2017.
Artigo em Inglês | MEDLINE | ID: mdl-29435430

RESUMO

Introduction: The use of liquid crystalline (LC) gel formulations for drug delivery has considerably improved the current delivery methods in terms of bioavailability and efficacy. The purpose of this study was to develop and evaluate LC gel formulations to deliver the anti-cancer drug exemestane through transdermal route. Methods: Two LC gel formulations were prepared by phase separation coacervation method using glyceryl monooleate (GMO), Tween 80 and Pluronic® F127 (F127). The formulations were characterized with regard to encapsulation efficiency (EE), vesicle size, Fourier transform infrared (FTIR) spectroscopy, surface morphology (using light and fluorescence microscopy), in vitro release, ex vivo permeation, in vitro effectiveness test on MDA-MB231 cancer cell lines and histopathological analysis. Results: Results exhibited that the EE was 85%-92%, vesicle size was 119.9-466.2 nm while morphology showed spherical vesicles after hydration. An FTIR result also revealed that there was no significant shift in peaks corresponding to Exemestane and excipients. LC formulations release the drug from cellulose acetate and Strat-MTM membrane from 15%-88.95%, whereas ex vivo permeation ranges from 37.09-63%. The in vitro effectiveness study indicated that even at low exemestane concentrations (12.5 and 25 µg/mL) the formulations were able to induce cancer cell death, regardless of the surfactant used. Histopathological analysis thinning of the epidermis as the formulations penetrate into the intercellular regions of squamous cells. Conclusion: The results conjectured that exemestane could be incorporated into LC gels for the transdermal delivery system and further preclinical studies such as pharmacokinetic and pharmacodynamic studies will be carried out with suitable animal models.

11.
Nat Commun ; 5: 5787, 2014 Dec 19.
Artigo em Inglês | MEDLINE | ID: mdl-25523894

RESUMO

Lindlar catalysts comprising of palladium/calcium carbonate modified with lead acetate and quinoline are widely employed industrially for the partial hydrogenation of alkynes. However, their use is restricted, particularly for food, cosmetic and drug manufacture, due to the extremely toxic nature of lead, and the risk of its leaching from catalyst surface. In addition, the catalysts also exhibit poor selectivities in a number of cases. Here we report that a non-surface modification of palladium gives rise to the formation of an ultra-selective nanocatalyst. Boron atoms are found to take residence in palladium interstitial lattice sites with good chemical and thermal stability. This is favoured due to a strong host-guest electronic interaction when supported palladium nanoparticles are treated with a borane tetrahydrofuran solution. The adsorptive properties of palladium are modified by the subsurface boron atoms and display ultra-selectivity in a number of challenging alkyne hydrogenation reactions, which outclass the performance of Lindlar catalysts.

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