Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 8.125
Filtrar
1.
Artigo em Inglês | MEDLINE | ID: mdl-38965043

RESUMO

Solid oxide electrolysis cells (SOECs) show significant promise in converting CO2 to valuable fuels and chemicals, yet exploiting efficient electrode materials poses a great challenge. Perovskite oxides, known for their stability as SOEC electrodes, require improvements in electrocatalytic activity and conductivity. Herein, vanadium(V) cation is newly introduced into the B-site of Sr2Fe1.5Mo0.5O6-δ perovskite to promote its electrochemical performance. The substitution of variable valence V5+ for Mo6+ along with the creation of oxygen vacancies contribute to improved electronic conductivity and enhanced electrocatalytic activity for CO2 reduction. Notably, the Sr2Fe1.5Mo0.4V0.1O6-δ based symmetrical SOEC achieves a current density of 1.56 A cm-2 at 1.5 V and 800 °C, maintaining outstanding durability over 300 h. Theoretical analysis unveils that V-doping facilitates the formation of oxygen vacancies, resulting in high intrinsic electrocatalytic activity for CO2 reduction. These findings present a viable and facile strategy for advancing electrocatalysts in CO2 conversion technologies.

2.
Artigo em Inglês | MEDLINE | ID: mdl-38968082

RESUMO

This study presents a novel approach to fabricating anodic Co-F-WO3 layers via a single-step electrochemical synthesis, utilizing cobalt fluoride as a dopant source in the electrolyte. The proposed in situ doping technique capitalizes on the high electronegativity of fluorine, ensuring the stability of CoF2 throughout the synthesis process. The nanoporous layer formation, resulting from anodic oxide dissolution in the presence of fluoride ions, is expected to facilitate the effective incorporation of cobalt compounds into the film. The research explores the impact of dopant concentration in the electrolyte, conducting a comprehensive characterization of the resulting materials, including morphology, composition, optical, electrochemical, and photoelectrochemical properties. The successful doping of WO3 was confirmed by energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), Raman spectroscopy, photoluminescence measurements, X-ray photoelectron spectroscopy (XPS), and Mott-Schottky analysis. Optical studies reveal lower absorption in Co-doped materials, with a slight shift in band gap energies. Photoelectrochemical (PEC) analysis demonstrates improved PEC activity for Co-doped layers, with the observed shift in photocurrent onset potential attributed to both cobalt and fluoride ions catalytic effects. The study includes an in-depth discussion of the observed phenomena and their implications for applications in solar water splitting, emphasizing the potential of the anodic Co-F-WO3 layers as efficient photoelectrodes. In addition, the research presents a comprehensive exploration of the electrochemical synthesis and characterization of anodic Co-F-WO3, emphasizing their photocatalytic properties for the oxygen evolution reaction (OER). It was found that Co-doped WO3 materials exhibited higher PEC activity, with a maximum 5-fold enhancement compared to pristine materials. Furthermore, the studies demonstrated that these photoanodes can be effectively reused for PEC water-splitting experiments.

3.
J Mol Model ; 30(8): 240, 2024 Jul 02.
Artigo em Inglês | MEDLINE | ID: mdl-38954155

RESUMO

CONTEXT: In this study, we evaluate the geometrical, absorption, optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of dibenzo[b,def]chrysene molecule derivatives by means of DFT and TD-DFT simulations. In view of the aim of producing new high-performance materials for non-linear optics (NLO) by doping test, two types of doping were used. We obtained six derivatives by doping with organic dopants (Nitro, amide and ticyanoethenyl) and mixed alkali metal (potassium) and organic dopants. Doping with organic dopants produced molecules A, B and C, respectively when substituting one hydrogen with nitro (NO2), amide (CONH2) and tricyanoethenyl (C5N3) groups, while mixed doping involved considering A, B and C and then substituting two hydrogens with two potassiums to obtain compounds D, E and F respectively. The negative values of the various interaction energies calculated for all the doped molecules show that they are all stable, but also that molecules C and F are the most stable in the case of both dopings. The gap energies calculated at the B3LYP level of theory are all below 3 eV, which means that all the molecules obtained are semiconductors. Better still, compounds C and F, with gap energies of 1.852 eV and 1.204 eV, respectively, corresponding to decreases of 35.67% and 58.18% in gap energy compared with the pristine molecule, are more reactive than the other doped molecules. Mixed doping is therefore a highly effective way of narrowing the energy gap and boosting the semiconducting character and reactivity of organic materials. Optoelectronic properties have also been improved, with refractive index values higher than those of the reference material, glass. This shows that our compounds could be used under very high electric field conditions of the order of 4.164 × 109 V.m-1 for C and 7.410 × 109 V.m-1 for F the highest values at the B3LYP level of theory. The maximum first-order hyperpolarizability values for both types of doping are obtained at the CAM-B3LYP level of theory by C: ß mol = 92.088 × 10-30esu and by F: ß mol = 129.449 × 10-30esu, and second-order values are also given by these same compounds. These values are higher than the reference value, which is urea, making our compounds potential candidates for high-performance NLO applications. In dynamic mode and at a frequency of 1064 nm, at the CAM-B3LYP level of theory, the highest dynamic hyperpolarizability coefficients were obtained by C and F. Hyper-Rayleigh scattering ß HRS , coefficients of the electro-optical Pockel effect (EOPE), EFISHG, third-order NLO-response degree four-wave mixing γ DFWM , quadratic nonlinear refractive index n2 were also calculated. The maximum values of n2 are obtained by C (6.13 × 10-20 m2/W) and F (6.60 × 10-20 m2/W), these values are 2.24 times higher than that of fused silica which is the reference for degenerate four-wave mixing so our molecules could also have applications in optoelectronics as wavelength converters, optical pulse modulators and optical switches. METHODS: Using the DFT method, we were able to determine the optimized and stable electronic structures of doped dibenzo[b,def]chrysene derivatives in the gas phase. We limited ourselves to using the proven B3LYP and CAMB3LYP levels of theory for calculating electronic properties, and non-linear optics with the 6-311G + + (d,p) basis set, which is a large basis set frequently used for these types of compound. Gaussian 09 software was used to run our calculations, and Gauss View 6.0.16 was used to visualize the output files. TD-DFT was also used to determine absorption properties at the B3LYP level of theory, using the same basis set.

4.
Spectrochim Acta A Mol Biomol Spectrosc ; 321: 124725, 2024 Jun 26.
Artigo em Inglês | MEDLINE | ID: mdl-38955072

RESUMO

Water pollution caused by dyes and industrial wastewater poses a significant threat to ecosystems. The purification of such pollutants presents a major challenge. Photocatalysis based on semiconductor materials is a potential wastewater treatment process due to its safety and cost-effectiveness. In the present work, Zn1-2xCexDyxO (x = 0.01-0.05) semiconductors were prepared by the sol-gel auto-ignition method. The samples are denoted CDZO1, CDZO3, and CDZO5 for x  = 0.01-0.05, respectively. The X-ray diffraction and Raman spectroscopy results revealed the formation of ZnO hexagonal phase wurtzite structure for all synthesized compositions. Different structural properties were determined. It was found that the lattice parameters and the unit cell volume increased, while the crystallite size diminished as x varied from 0.01 to 0.05. Transmission electron microscopy observations confirmed the formation of nanoparticles with the desired chemical compositions. The specific surface area (SSA) values are found to be 39.95 m2/g, 48.62 m2/g, and 51.36 m2/g for CDZO1, CDZO5, and CDZO5 samples, respectively. The reflectance spectra were recorded to examine the optical properties of the different nanoparticles. The values of the optical band gap were 3.221, 3.225, and 3.239 eV for CDZO1, CDZO3, and CDZO5 samples, respectively. In addition, the photocatalytic performance towards RhB dye degradation for the different samples was assessed. It was established that the CDZO3 sample with a moderate SSA value exhibited the superior photocatalytic performance among the other as-prepared samples wherein the percentage of degradation efficiency, and kinetic constant rate attained their maximum values of 98.22 % and 0.0521 min-1, respectively within 75 min. As per the obtained findings, it is evident that the Zn1-2xCexDyxO photocatalyst has prominent potential for use in the degradation of dyes and offers a useful route for impeding the recombination of electron-hole pairs of zinc oxide material.

5.
Artigo em Inglês | MEDLINE | ID: mdl-38955841

RESUMO

Sodium-ion batteries (SIBs), owing to their abundant resources and cost-effectiveness, have garnered considerable interest in the realm of large-scale energy storage. The properties of cathode materials profoundly affect the cycle stability and specific capacity of batteries. Herein, a series of Cu-doped spherical P2-type Na0.7Fe0.23-xCuxMn0.77O2 (x = 0, 0.05, 0.09, and 0.14, x-NFCMO) was fabricated using a convenient hydrothermal method. The successful doping of Cu efficaciously mitigated the Jahn-Teller effect, augmented the electrical conductivity of the material, and diminished the resistance to charge transfer. The distinctive spherical structure remained stable and withstood considerable volumetric strain, thereby improving the cyclic stability of the material. The optimized 0.09-NFCMO cathode exhibited a high specific capacity of 168.6 mAh g-1 at 100 mA g-1, a superior rate capability (90.9 mAh g-1 at 2000 mA g-1), and a good cycling stability. This unique structure design and doping approach provides new insights into the design of advanced electrode materials for sodium-ion batteries.

6.
Small ; : e2402991, 2024 Jul 03.
Artigo em Inglês | MEDLINE | ID: mdl-38958092

RESUMO

In P2-type layered oxide cathodes, Na site-regulation strategies are proposed to modulate the Na+ distribution and structural stability. However, their impact on the oxygen redox reactions remains poorly understood. Herein, the incorporation of K+ in the Na layer of Na0.67Ni0.11Cu0.22Mn0.67O2 is successfully applied. The effects of partial substitution of Na+ with K+ on electrochemical properties, structural stability, and oxygen redox reactions have been extensively studied. Improved Na+ diffusion kinetics of the cathode is observed from galvanostatic intermittent titration technique (GITT) and rate performance. The valence states and local structural environment of the transition metals (TMs) are elucidated via operando synchrotron X-ray absorption spectroscopy (XAS). It is revealed that the TMO2 slabs tend to be strengthened by K-doping, which efficiently facilitates reversible local structural change. Operando X-ray diffraction (XRD) further confirms more reversible phase changes during the charge/discharge for the cathode after K-doping. Density functional theory (DFT) calculations suggest that oxygen redox reaction in Na0.62K0.03Ni0.11Cu0.22Mn0.67O2 cathode has been remarkably suppressed as the nonbonding O 2p states shift down in the energy. This is further corroborated experimentally by resonant inelastic X-ray scattering (RIXS) spectroscopy, ultimately proving the role of K+ incorporated in the Na layer.

7.
Small ; : e2403292, 2024 Jul 03.
Artigo em Inglês | MEDLINE | ID: mdl-38958094

RESUMO

Antimony selenide (Sb2Se3) has sparked significant interest in high-efficiency photovoltaic applications due to its advantageous material and optoelectronic properties. In recent years, there has been considerable development in this area. Nonetheless, defects and suboptimal [hk0] crystal orientation expressively limit further device efficiency enhancement. This study used Zinc (Zn) to adjust the interfacial energy band and strengthen carrier transport. For the first time, it is discovered that the diffusion of Zn in the cadmium sulfide (CdS) buffer layer can affect the crystalline orientation of the Sb2Se3 thin films in the superstrate structure. The effect of Zn diffusion on the morphology of Sb2Se3 thin films with CdxZn1-xS buffer layer has been investigated in detail. Additionally, Zn doping promotes forming Sb2Se3 thin films with the desired [hk1] orientation, resulting in denser and larger grain sizes which will eventually regulate the defect density. Finally, based on the energy band structure and high-quality Sb2Se3 thin films, this study achieves a champion power conversion efficiency (PCE) of 8.76%, with a VOC of 458 mV, a JSC of 28.13 mA cm-2, and an FF of 67.85%. Overall, this study explores the growth mechanism of Sb2Se3 thin films, which can lead to further improvements in the efficiency of Sb2Se3 solar cells.

8.
J Colloid Interface Sci ; 674: 902-912, 2024 Jun 29.
Artigo em Inglês | MEDLINE | ID: mdl-38959736

RESUMO

Developing bifunctional electrocatalysts based on non-precious metals for overall water splitting, while maintaining high catalytic activity and stability under high current densities, remains challenging. Herein, we successfully constructred trace iron-doped nickel-cobalt selenide with abundant CoSe2 (210)-Ni3Se4 (202) heterointerfaces via a simple one-step selenization reaction. The synthesized Fe-NiCoSex/NCFF (NCFF stands for nickel-cobalt-iron foam) exhibits outstanding hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) activity with low overpotentials of 328 mV for HER and 345 mV for OER at a high current density of 1000 mA cm-2, while maintaining stability for over 20 h. Additionally, the Fe-NiCoSex/NCFF exhibits the lowest Tafel slope values for both HER (33.7 mV dec-1) and OER (55.92 mV dec-1), indicating the fastest kinetics on its surface. The Fe-NiCoSex/NCFF features uniformly distributed micrometer-sized selenide particles with dense nanowires on their surface, providing a large reactive surface area and abundant active sites. Moreover, X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM) analyses reveal that the catalyst is composed of nickel, cobalt, and iron, forming micrometer-sized particles with both crystalline and amorphous phases, thereby enhancing HER and OER performance under high current density. Density functional theory (DFT) calculations demonstrate that the heterostructure CoSe2 (210)-Ni3Se4 (202), with high electron density and suitable adsorption capacity for reaction intermediates, and low energy barriers for HER (-0.384 eV) and OER (ΔG1st: 0.243 eV, ΔG2nd: 0.376 eV), serves as an active center for both HER and OER.

9.
Bioresour Technol ; 406: 131059, 2024 Jun 29.
Artigo em Inglês | MEDLINE | ID: mdl-38950832

RESUMO

Bio-oil derived from biomass fast pyrolysis can be upgraded to gasoline and diesel alternatives by catalytic hydrodeoxygenation (HDO). Here, the novel nitrogen-doped carbon-alumina hybrid supported cobalt (Co/NCAn, n = 1, 2.5, 5) catalyst is established by a coagulation bath technique. The optimized Co/NCA2.5 catalyst presented 100 % conversion of guaiacol, high selectivity to cyclohexane (93.6 %), and extremely high deoxygenation degree (97.3 %), respectively. Therein, the formation of cyclohexanol was facilitated by stronger binding energy and greater charge transfer between Co and NC which was unraveled by density functional theory calculations. In addition, the appropriate amount of Lewis acid sites enhanced the cleavage of the C-O bond in cyclohexanol, finally resulting in a remarkable selectivity for cyclohexane. Finally, the Co/NCA2.5 catalyst also exhibited excellent selectivity (93.1 %) for high heating value hydrocarbon fuel in crude bio-oil HDO. This work provides a theoretical basis on N dopants collaborating alumina hybrid catalysts for efficient HDO reaction.

10.
Br J Sports Med ; 2024 Jul 09.
Artigo em Inglês | MEDLINE | ID: mdl-38981660

RESUMO

OBJECTIVES: The objectives of this study are to describe the prevalence of therapeutic use exemptions (TUEs) among athletes competing in four Olympic and four Paralympic games. The secondary objective was to present the prohibited substance and methods classes associated with TUEs. METHODS: Data from the Anti-Doping Administration and Management System were extracted for this cross-sectional observation study. Eight cohorts were created to include athletes with TUEs who competed in the Rio 2016, Pyeongchang 2018, Tokyo 2020 and Beijing 2022 Olympic and Paralympic games. Prevalence of TUEs and proportion of prohibited substance and methods classes were defined as percentages among all athletes competing at each games. RESULTS: 28 583 athletes competed in four editions of the Olympic games. Total prevalence of athletes with TUEs was 0.90% among all competitors. At the four Paralympic games, a total of 9852 athletes competed and the total TUE prevalence was 2.76%. The most frequently observed substances associated with TUEs at the Summer Olympics were glucocorticoids (0.50% in Rio) and stimulants (0.39% in Tokyo). At the Summer Paralympics, diuretics (0.79% in Rio) and stimulants (0.75% in Tokyo) were the most common. Winter games had somewhat similar trends, although TUE numbers were very low. CONCLUSIONS: The number of athletes competing with valid TUEs at the Olympic and Paralympic games was <1% and <3%, respectively. Variations in substances and methods associated with TUEs for different medical conditions were identified. Nevertheless, numbers were low, further reaffirming that TUEs are not widespread in elite sport.

11.
Drug Test Anal ; 2024 Jul 09.
Artigo em Inglês | MEDLINE | ID: mdl-38982651

RESUMO

S-23 is an arylpropionamide selective androgen receptor modulator that has been investigated in animal models for use as a male hormonal contraceptive but is not yet available therapeutically. S-23 is available alongside other selective androgen receptor modulators (SARMs) to purchase online via uncontrolled sites, sold as supplement products. It has been detected in several human doping cases, highlighting the importance of identifying the best analytical targets for equine doping control. The purpose of this study was to investigate the detection of S-23 and its phase I metabolites in equine urine and plasma following a multiple dose oral administration to two Thoroughbred racehorses. Liquid chromatography-high resolution mass spectrometry was used for metabolite identification, and liquid chromatography-tandem mass spectrometry was used for full sample analysis and generation of urine and plasma profiles. S-23 and seven phase I metabolites were observed in urine following enzyme hydrolysis and solvolysis. The most abundant analyte detected was the hydroxylated 4-amino-2-(trifluoromethyl)benzonitrile metabolite, which also allowed the longest duration of detection in urine from both horses, for up to 360 h following administration. The data suggest that this metabolite was likely to be highly conjugated with both sulphate and glucuronide moieties. In plasma, S-23 and two phase I metabolites were observed. S-23 was the most abundant analyte detected for both horses, allowing detection for up to 143 h post-administration. To the best of the authors' knowledge, this is the first report of S-23 and metabolites in equine urine and plasma samples.

12.
Artigo em Inglês | MEDLINE | ID: mdl-38982984

RESUMO

The adsorption properties of CO2 on the SrTiO3(001) surface were investigated using ambient pressure X-ray photoelectron spectroscopy under elevated pressure and temperature conditions. On the Nb-doped TiO2-enriched (1 × 1) SrTiO3 surface, CO2 adsorption, i.e., the formation of CO3 surface species, occurs first at the oxygen lattice site under 10-6 mbar CO2 at room temperature. The interaction of CO2 molecules with oxygen vacancies begins when the CO2 pressure increases to 0.25 mbar. The adsorbed CO3 species on the Nb-doped SrTiO3 surface increases continuously as the pressure increases but starts to leave the surface as the surface temperature increases, which occurs at approximately 373 K on the defect-free surface. On the undoped TiO2-enriched (1 × 1) SrTiO3 surface, CO2 adsorption also occurs first at the lattice oxygen sites. Both the doped and undoped SrTiO3 surfaces exhibit an enhancement of the CO3 species with the presence of oxygen vacancies, thus indicating the important role of oxygen vacancies in CO2 dissociation. When OH species are removed from the undoped SrTiO3 surface, the CO3 species begin to form under 10-6 mbar at 573 K, thus indicating the critical role of OH in preventing CO2 adsorption. The observed CO2 adsorption properties of the various SrTiO3 surfaces provide valuable information for designing SrTiO3-based CO2 catalysts.

13.
Drug Test Anal ; 2024 Jul 11.
Artigo em Inglês | MEDLINE | ID: mdl-38992930

RESUMO

Due to the presumed lipolytic and anabolic properties, the misuse of human growth hormone (hGH) and its synthetic analogs in sports is prohibited both in- and out-of-competition. Within this research project, the detectability of somatrogon, a recombinant fusion glycoprotein of 22 kDa hGH and the C-terminal peptide (CTP) of the human chorionic gonadotropin (hCG) ß-subunit, with current WADA-approved doping control assays for hGH and hCG was investigated. For that purpose, cross-reactivity tests and a somatrogon administration study were conducted, and only "Kit 2" of the GH isoform differential immunoassays proved applicable to the detection of somatrogon administration in serum. In urine, the immunoassay specific for total hCG yielded presumptively positive findings for several post-administration samples, which can probably be attributed to the presence of an immunoreactive fragment of the hCG ß-subunit. As the detectability of somatrogon with these approaches was found to be limited, a highly specific detection assay (LOD: 10 ng/mL) for the drug in serum samples was developed by using affinity purification with GH receptor (GHR)-conjugated magnetic beads, proteolytic digestion, and liquid chromatography high-resolution tandem mass spectrometry (LC-HRMS/MS). Following optimization, the approach was comprehensively characterized, and authentic post-administration serum samples were successfully analyzed as proof-of-concept, indicating a detection window of at least 96 h. Consequently, the presented method can be employed to confirm the presence of somatrogon in serum samples, where only "Kit 2" of the currently used immunoassay kits yielded an abnormally high Rec/Pit ratio.

14.
Drug Test Anal ; 2024 Jul 11.
Artigo em Inglês | MEDLINE | ID: mdl-38992991

RESUMO

Due to the ease of collection, transport and storage, the use of dried blood spots (DBS) offers an attractive alternative matrix for detection of the abuse of gene therapy, otherwise known as gene doping. This study evaluated the recovery, extraction efficiency and resulting detection capability of DNA from DBS by evaluating different target types, DNA extraction kits, the number of punches and blood tube preservatives. The long-term storage stability of low-copy-number transgene targets in DBS was not assessed in this study but would be noteworthy to investigate further. DNA was quantified using two detection methods: qPCR and digital PCR (dPCR). Using six punches with the Qiagen Investigator kit gave the best overall DNA yield compared with other extraction methods. Including three punches, however, gave better DNA extraction efficiency. Reference material could be detected using qPCR and dPCR in DBS spiked with 5000 copies/mL of blood (approximately 15 copies per 3 mm of punch). The optimal DNA extraction protocol was used on DBS samples from a custom recombinant adeno-associated virus administration study and showed successful detection of vector targets in DBS samples.

15.
Nanotechnology ; 2024 Jul 10.
Artigo em Inglês | MEDLINE | ID: mdl-38986444

RESUMO

Benefiting from the ultrahigh specific surface areas, massive exposed surface atoms, and highly tunable microstructures, the two-dimensional (2D) noble metal nanosheets (NSs) have presented promising performance for various electrocatalytic reactions. Nevertheless, the heteroatom doping strategy, and in particular, the electronic structure tuning mechanisms of the 2D noble metal catalysts (NMCs) yet remain ambiguous. Herein, we first review several effective strategies for modulating the electrocatalytic performance of 2D NMCs. Then, the electronic tuning effect of hetero-dopants for boosting the electrocatalytic properties of 2D NMCs is systematically discussed. Finally, we put forward current challenges in the field of 2D NMCs, and propose possible solutions, particularly from the perspective of the evolution of electron microscopy. This review attempts to establish an intrinsic correlation between the electronic structures and the catalytic properties, so as to provide a guideline for designing high-performance electrocatalysts.

16.
Environ Res ; : 119579, 2024 Jul 08.
Artigo em Inglês | MEDLINE | ID: mdl-38986803

RESUMO

In this work, a novel nitrogen-doped biochar bentonite composite was synthesized by a single-pot co-pyrolysis method. Batch studies were conducted to evaluate the performance of the developed composite in eliminating synthetic dyes from the aqueous matrix. Energy dispersive X-ray spectroscopy analysis and field emission scanning electron microscopy imaging confirmed the N doping and bentonite impregnation into biochar. X-ray photoelectron spectroscopy analysis revealed that the N atoms were doped interstitially into the carbon matrix of biochar in the form of pyridinic and pyrrolic nitrogen. Simultaneous heteroatom doping and bentonite impregnation reduced the specific surface area to 41.721 m2.g-1 but improved the adsorption capacity of biochar for dye adsorption. Further experimental studies depicted that simultaneous bentonite impregnation and N doping into the biochar matrix is beneficial for direct blue-6 (DB-6) and methylene blue (MB) removal and maximum adsorption capacities of 53.17 mg. g-1 and 41.33 mg. g-1 can be obtained for MB and DB-6, respectively, at varying conditions. Adsorption energetics of the dyes with the developed composite portrayed the spontaneity of the process through negative ΔG values. The Langmuir and Freundlich isotherm models fitted the best for MB and DB-6 adsorption. The monolayer adsorption capacity and favourability factor for MB and DB-6 adsorption were calculated to be 54.15 mg. g-1 and 0.217, respectively from the best-fitted isotherms. Based on density functional theory calculations and spectroscopic studies, major interactions governing the adsorption were predicted to be charge-based interactions, π-π interactions, H-bonding, and Lewis acid-base interactions.

17.
J Environ Manage ; 365: 121601, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-38959771

RESUMO

Tetracycline (TC) is widely present in the environment, and adsorption technology is a potential remediation method. S/N co-doped tea residue biochar (SNBC) was successfully prepared by hydrothermal carbonization method using tea residue as raw material. S was doped by Na2S2O3·5H2O, and N was doped by N in tea residue. The adsorption efficiency of SNBC could reach 94.16% when the concentration of TC was 100 mg L-1. The adsorption effect of SNBC on TC was 9.38 times more than that of unmodified biochar. Tea biochar had good adsorption effect at pH 4-9. The maximum adsorption capacity of 271 mg g-1 was calculated by the Langmuir isotherm model. The adsorption mechanism involved many mechanisms such as pore filling, π-π interaction and hydrogen bonding. The adsorbent prepared in this study could be used as an effective adsorbent in the treatment of TC wastewater.


Assuntos
Carvão Vegetal , Chá , Tetraciclina , Poluentes Químicos da Água , Carvão Vegetal/química , Tetraciclina/química , Adsorção , Chá/química , Poluentes Químicos da Água/química , Nitrogênio/química , Purificação da Água/métodos , Concentração de Íons de Hidrogênio , Águas Residuárias/química
18.
Drug Test Anal ; 2024 Jul 12.
Artigo em Inglês | MEDLINE | ID: mdl-39001560

RESUMO

This paper describes the detections of nonsteroidal and steroidal selective androgen receptor modulators (SARMs), namely, RAD140 and YK-11, in mane hair collected from horses having been orally administered with the respective drugs. SARMs are potent anabolic agents with a high potential of misuse in horseracing and equestrian sports, and the misuses of RAD140 and YK-11 in human sports have been reported. To better control the misuse of RAD140 and YK-11 in horses, two separate oral administration studies of RAD140 (0.3 mg/kg daily for 3 days) and YK-11 (0.2 mg/kg daily for 3 days) were previously conducted to investigate their metabolism and to identify target analyte(s) with the longest detection time in urine and plasma for doping control. In this work, segmental analyses of post-administration hair samples have revealed that (i) RAD140 and YK-11 could be detected in horse mane after oral administration and (ii) internal incorporation of RAD140 into hair via bloodstream and external incorporation through sweat or sebum were both observed, whereas YK-11 was primarily incorporated into hair via sweat or sebum.

19.
Adv Mater ; : e2310933, 2024 Jun 22.
Artigo em Inglês | MEDLINE | ID: mdl-38949017

RESUMO

Molecular doping is commonly utilized to tune the charge transport properties of organic semiconductors. However, applying this technique to electrically dope inorganic materials like metal oxide semiconductors is challenging due to the limited availability of molecules with suitable energy levels and processing characteristics. Herein, n-type doping of zinc oxide (ZnO) films is demonstrated using 1,3-dimethylimidazolium-2-carboxylate (CO2-DMI), a thermally activated organic n-type dopant. Adding CO2-DMI into the ZnO precursor solution and processing it atop a predeposited indium oxide (InOx) layer yield InOx/n-ZnO heterojunctions with increased electron field-effect mobility of 32.6 cm2 V-1 s-1 compared to 18.5 cm2 V-1 s-1 for the pristine InOx/ZnO bilayer. The improved electron transport originates from the ZnO's enhanced crystallinity, reduced hydroxyl concentrations, and fewer oxygen vacancy groups upon doping. Applying the optimally doped InOx/n-ZnO heterojunctions as the electron-transporting layers (ETLs) in organic photovoltaics (OPVs) yields cells with improved power conversion efficiency of 19.06%, up from 18.3% for devices with pristine ZnO, and 18.2% for devices featuring the undoped InOx/ZnO ETL. It is shown that the all-around improved OPV performance originates from synergistic effects associated with CO2-DMI doping of the thermally grown ZnO, highlighting its potential as an electronic dopant for ZnO and potentially other metal oxides.

20.
Artigo em Inglês | MEDLINE | ID: mdl-38950003

RESUMO

Methanol is a valuable liquid C1 product in CO2 electroreduction (CO2ER); however, it is hard to achieve high selectivity and a large current density simultaneously. In this work, we construct Mn2+-doped VS2 multilayer nanowafers applied in a flow cell to yield methanol as a single liquid product to tackle this challenge. Mn doping adjusts the electronic structure of VS2 and concurrently introduces sulfur vacancies, forming a critical *COB intermediate and facilitating its sequential hydrogenation to methanol. The optimal Mn4.8%-VS2 exhibits methanol Faradic efficiencies of more than 60% over a wide potential range of -0.4 to -0.8 V in a flow cell, of which the maximal value is 72.5 ± 1.1% at -0.6 V along with a partial current density of 74.3 ± 1.1 mA cm-2. This work opens an avenue to rationally design catalysts for engineering C1 intermediates toward CO2ER to a single liquid methanol in a flow cell.

SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA