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1.
Materials (Basel) ; 17(13)2024 Jul 02.
Artigo em Inglês | MEDLINE | ID: mdl-38998353

RESUMO

Through an activation reaction sintering method, porous (Mo2/3Y1/3)2AlC ceramics were prepared by Mo, Y, Al, and graphite powders as raw materials. The phase composition, microstructure, element distribution, and pore structure characteristics were comprehensively studied using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), Archimedes method, and bubble point method. A detailed investigation was conducted on the influence of sintering temperature on the phase composition. Possible routes of phase transition and pore formation mechanisms during the sintering process were provided. The experimental results reveal that at 650-850 °C, transition metals react with aluminum, forming aluminum-containing intermetallics and a small amount of carbides. At 850-1250 °C, transition metals collaborate with graphite, producing transition metal carbides. Then, at 1250-1450 °C, these aluminum intermetallics interact with transition metal carbides and remaining unreacted Y, Al, and C, yielding the final product (Mo2/3Y1/3) 2AlC. Simultaneously, the pore structure alters correspondingly with the solid-phase reaction at different reaction temperatures.

2.
J Mol Graph Model ; 131: 108793, 2024 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-38797086

RESUMO

The welding process and the properties of welding instruments may improve the mechanical performance of an item. One of these properties is the length of the welding tool. This approach has a substantial effect on the mechanical strength of the metallic matrix. The current study used molecular dynamics modeling and LAMMPS software to evaluate the effect of welding tool length on the mechanical properties of a welded Cu-Ag metallic matrix. This simulation makes use of the Lennard-Jones potential function and the embedded atom model. First, the equilibrium phase of modeled samples was verified by changing the computation of kinetic and total energies. Next, the mechanical properties of the welded matrix were studied using the stated Young's modulus and ultimate strength. The stress-strain curve of samples demonstrated that the mechanical strength of atomic samples increased as the length of the welding tool (penetration depth) increased. Numerically, by increasing the tool penetration depth of Fe tools from 2 Å to 8 Å, Young's modulus and ultimate strength of the matrixes sample increase from 34.360 GPa to 1390.84 MPa to 38.44 GPa and 1510 MPa, respectively. This suggested that the length of the Fe welding tool significantly affected the mechanical properties of the welded metallic matrix. The longer the length of Fe welding tools, the more particles were involved, and consequently, more bonds were formed among the particles. Bonding among the particles caused changes in mechanical properties, such as greater ultimate strength. This method can optimize mechanical structures and be useful in various industries.


Assuntos
Simulação de Dinâmica Molecular , Soldagem , Soldagem/métodos , Módulo de Elasticidade , Metais/química , Estresse Mecânico , Fenômenos Mecânicos , Cobre/química
3.
Materials (Basel) ; 16(16)2023 Aug 18.
Artigo em Inglês | MEDLINE | ID: mdl-37629972

RESUMO

Mo, TiH2, Al and graphite elemental powders were used as starting materials for the activation reaction sintering process, which was employed to fabricate porous Mo2TiAlC2. The alteration of phase constitution, volume expansion, porosity, pore size and surface morphology of porous Mo2TiAlC2 with sintering temperatures ranging from 700 °C to 1500 °C were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and pore size tester. Both the pore formation mechanism and activation reaction process at each temperature stage were investigated. The experimental results illustrate that the sintered discs of porous Mo2TiAlC2 exhibit obvious volume expansion and pore structure change during the sintering process. Before 1300 °C, the volume expansion rate and porosity increase with the increment of temperature. However, with the sintering temperature above 1300 °C, the volume expansion rate and porosity decrease. At the final sintering temperature of 1500 °C, porous Mo2TiAlC2 with a volume expansion rate of 35.74%, overall porosity of 47.1%, and uniform pore structure was synthesized. The pore-forming mechanism of porous Mo2TiAlC2 is discussed, and the evolution of pressed pores, the removal of molding agents, the decomposition of TiH2, and the Kirkendall effect caused by different diffusion rates of elements in the diffusion reaction are all accountable for the formation of pores.

4.
Nanomaterials (Basel) ; 13(15)2023 Jul 25.
Artigo em Inglês | MEDLINE | ID: mdl-37570476

RESUMO

Ce-MnOx composite oxide catalysts with different proportions were prepared using the coprecipitation method, and the CO-removal ability of the catalysts with the tested temperature range of 60-140 °C was investigated systematically. The effect of Ce and Mn ratios on the catalytic oxidation performance of CO was investigated using X-ray diffraction (XRD), X-ray energy dispersive spectroscopy (EDS), scanning electron microscopy (SEM), H2 temperature programmed reduction (H2-TPR), CO-temperature programmed desorption (CO-TPD), and in situ infrared spectra. The experimental results reveal that under the same test conditions, the CO conversion rate of pure Mn3O4 reaches 95.4% at 170 °C. Additionally, at 140 °C, the Ce-MnOx series composite oxide catalyst converts CO at a rate of over 96%, outperforming single-phase Mn3O4 in terms of catalytic performance. With the decrement in Ce content, the performance of Ce-MnOx series composite oxide catalysts first increase and then decrease. The Ce MnOx catalyst behaves best when Ce:Mn = 1:1, with a CO conversion rate of 99.96% at 140 °C and 91.98% at 100 °C.

5.
Biol Res Nurs ; 25(4): 635-646, 2023 10.
Artigo em Inglês | MEDLINE | ID: mdl-37210672

RESUMO

Objectives: To explore whether tai chi can improve lung function, exercise capacity, and health-related outcomes in patients with chronic obstructive pulmonary disease (COPD). Methods: The PubMed, Embase, Cochrane Central Register of Controlled Trials, Chinese National Knowledge Infrastructure (CNKI), Wanfang, and China Science and Technology Journal Database (VIP) databases were searched from inception to January 5, 2023. The methodological quality of the included studies was evaluated according to the Cochrane Handbook for Systematic Reviews of Interventions criteria. Results: A total of 1430 participants from 20 randomized controlled trials were included in this review. The results indicated significant effects of tai chi on FEV1, 6WMD, anxiety, and quality of life (p < 0.01), but not on FEV1%, FEVI/FVC, depression, and social support. Conclusions: Tai chi might be a potential alternative therapy to improve FEV1, 6WMD, anxiety, and quality of life for patients with COPD.


Assuntos
Doença Pulmonar Obstrutiva Crônica , Tai Chi Chuan , Humanos , Tolerância ao Exercício , Qualidade de Vida , Ensaios Clínicos Controlados Aleatórios como Assunto , Doença Pulmonar Obstrutiva Crônica/terapia , Pulmão
6.
Environ Sci Technol ; 57(11): 4632-4642, 2023 03 21.
Artigo em Inglês | MEDLINE | ID: mdl-36912193

RESUMO

CuX/TiO2 adsorbents with CuO as the active component were prepared via a simple impregnation method for efficient purification of phosphine (PH3) under the conditions of low temperatures (90 °C) and low oxygen concentration (1%). The PH3 breakthrough capacity of optimal adsorbent (Cu30/TiO2) is 136.2 mg(PH3)·gsorbent-1, and the excellent dephosphorization performance is mainly attributed to its abundant sur face-active oxygen and alkaline sites, large specific surface area, and strong interaction between CuO and the support TiO2. Surprisingly, CuO is converted to Cu3P after the dephosphorization by CuX/TiO2. Since Cu3P is a P-type semiconductor with high added value, the deactivated adsorbent (Cu3P/TiO2) is an efficient heterostructure photocatalyst for photocatalytic removal of Hg0 (gas) with the Hg0 removal performance of 92.64% under visible light. This study provides a feasible strategy for the efficient removal and resource conversion of PH3 under low-temperature conditions and the alleviation of the environmental risk of secondary pollution.


Assuntos
Cobre , Mercúrio , Catálise , Mercúrio/química
7.
Angew Chem Int Ed Engl ; 62(23): e202303174, 2023 Jun 05.
Artigo em Inglês | MEDLINE | ID: mdl-36943770

RESUMO

Post-polymerization modification (PPM) via direct C-H functionalization is a powerful synthetic strategy to convert polymer feed-stocks into value-added products. We found that a metal-free, Se-catalyzed allylic C-H amination provided an efficient method for PPM of polynorbornenes (PNBs) produced via ring-opening metathesis polymerization. Inherent to the mechanism of the allylic amination, PPM on PNBs preserved the alkene functional groups along the polymer backbone, while also avoiding transposition of the double bonds. Amination using a series of aryl sulfonamides led to good control over the degree of functionalization, access to a range of functionalities, and tunable thermal properties from the resulting polymers.

8.
Chemosphere ; 314: 137592, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36566794

RESUMO

Hazardous solid waste blast furnace dust (BFD) is rich in valuable metal components such as iron (Fe), zinc (Zn), manganese (Mn), and its recycling or harmless treatment is a major challenge. This paper creatively proposes the strategy of "treating waste with waste" by using BFD for desulfurization. The experimental results show that BFD slurry can achieve high-efficiency desulfurization and recovery of Zn resources. The characterization results indicate that ZnO and Fe2O3 in BFD slurry are the main active components of desulfurization, and the consumption of active components is the main reason for the decline of BFD slurry activity. Further semi-continuous experimental research shows that Zn, Fe, and Mn ions in BFD slurry play a crucial role in the catalytic oxidation of sulfur dioxide (SO2). Additionally, the effects of reaction temperature, stirring speed, inlet SO2 concentration, and inlet gas flow rate on the leaching rate of Zn and Fe were investigated. Under optimal conditions (SO2 concentration = 3000 mg‧m-3, reaction temperature = 40 °C, inlet gas flow rate = 300 mL‧min-1, solid-liquid ratio = 0.5 g/300 mL, stirring speed = 600 rpm), the desulfurization rate reaches 100%, and the maximum leaching rate of Zn can reach 44.6%. Based on the experimental and characterization results, the possible mechanism of BFD slurry desulfurization was proposed. This study provides a reference for the application of BFD in the field of wet desulfurization.


Assuntos
Poeira , Resíduos Sólidos , Metais , Dióxido de Enxofre , Zinco , Manganês
9.
Anal Chem ; 94(22): 7738-7742, 2022 06 07.
Artigo em Inglês | MEDLINE | ID: mdl-35616684

RESUMO

A signal amplification system for electrochemical sensing was established by bio-nanohybrid cells (BNC) based on bacterial self-assembly and biomineralization. The BNC was constructed by partially encapsulating a Shewanella oneidensis MR-1 cell with the self-biomineralized iron sulfide nanoparticles. The iron sulfide nanoparticle encapsulated BNCs showed high transmembrane electron transfer efficiency and was explored as a superior redox cycling module. Impressively, by integrating this BNC redox cycling module into the electrochemical sensing system, the output signal was amplified over 260 times compared to that without the BNC module. Uniquely, with this BNC redox cycling system, ultrasensitive detection of riboflavin with an extremely low LOD of 0.2 nM was achieved. This work demonstrated the power of BNC in the area of biosensing and provided a new possibility for the design of a whole cell redox cycling based signal amplification system.


Assuntos
Técnicas Biossensoriais , Técnicas Eletroquímicas , Oxirredução , Riboflavina
10.
Angew Chem Int Ed Engl ; 60(25): 13952-13958, 2021 06 14.
Artigo em Inglês | MEDLINE | ID: mdl-33723902

RESUMO

Stereochemistry can have a profound impact on polymer and materials properties. Unfortunately, straightforward methods for realizing high levels of stereocontrolled polymerizations are often challenging to achieve. In a departure from traditional metal-mediated ring-opening metathesis polymerization (ROMP), we discovered a remarkably simple method for controlling alkene stereochemistry in photoredox mediated metal-free ROMP. Ion-pairing, initiator sterics, and solvation effects each had profound impact on the stereochemistry of polynorbornene (PNB). Simple modifications to the reaction conditions produced PNB with trans alkene content of 25 to >98 %. High cis content was obtained from relatively larger counterions, toluene as solvent, low temperatures (-78 °C), and initiators with low Charton values. Conversely, smaller counterions, dichloromethane as solvent, and enol ethers with higher Charton values enabled production of PNB with high trans content. Data from a combined experimental and computational investigation are consistent with the stereocontrolling step of the radical cationic mechanism proceeding under thermodynamic control.

11.
Bioresour Bioprocess ; 8(1): 30, 2021 Apr 18.
Artigo em Inglês | MEDLINE | ID: mdl-38650189

RESUMO

Biomethanation is of great interest as it can transform CO2 to methane under ambient conditions. In particular, genetically engineered bacterium of Rhodopseudomonas palustris showed great promise for one-step biomethanation powered by solar energy, which is attractive for CO2 fixation as well as solar energy storage. However, biomethanation with R. palustris under visible light is inefficient due to its poor visible light response. In this study, CdS quantum dots with excellent visible light response were prepared and R. palustris/CdS hybrid cells were constructed. Interestingly, this bio-nano-hybrid cells showed high cell viability without significant cell damage, and the biomethanation performance of was enhanced about ~ 79% compared to that of the bare R. palustris cells. Moreover, the effects of different parameters on the methane production of this bio-nano-hybrid cells were determined, and the methane production rate was further improved by parameter optimization. This work demonstrated an efficient approach to reinforce the biomethanation of bacteria under unfavorable light wavelength, which would be helpful to extend the light spectra for photo-driven biomethanation.

12.
Org Lett ; 20(21): 6952-6956, 2018 11 02.
Artigo em Inglês | MEDLINE | ID: mdl-30354169

RESUMO

A new trefoil-shaped molecular architecture consisting of three conjugated macrocycles was synthesized through an unprecedented 3-fold copper catalyzed [4 + 2] benzannulation. DFT calculations indicate that the most stable conformation of this trefoil macrocycle is D3-symmetric. In agreement with the calculated results, the trefoil macrocycle in single crystals exists as a pair of enantiomers with D3-symmetry and exhibits interesting honeycomb-like supramolecular structures.

13.
Chem Sci ; 7(9): 6176-6181, 2016 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-30034757

RESUMO

Benzo[4,5]cyclohepta[1,2-b]fluorene (5a), a new π-conjugated polycyclic hydrocarbon containing linearly fused six-, five-, six-, seven- and six-membered rings (C6-C5-C6-C7-C6), was designed and its stable derivatives 5b and 5c were synthesized. With 22 π electrons, 5a is an isomer of pentacene with quinoidal, dipolar ionic and diradical resonance forms. Molecules 5b and 5c were experimentally investigated with cyclic voltammetry, electronic absorption spectroscopy and X-ray crystallographic analysis, and theoretically studied by calculating the NICS value, diradical character and dipole moment. A comparison of 5a-c with pentacene and other pentacene analogues containing linearly fused five- or seven-membered rings was also conducted and discussed. It was found that 5b behaved as a p-type organic semiconductor in solution-processed thin film transistors with a field effect mobility of up to 0.025 cm2 V-1 s-1.

14.
ACS Appl Mater Interfaces ; 7(51): 28019-26, 2015 Dec 30.
Artigo em Inglês | MEDLINE | ID: mdl-25886029

RESUMO

Here, we report solid solution of p- and n-type organic semiconductors as a new type of p-n blend for solution-processed ambipolar organic thin film transistors (OTFTs). This study compares the solid-solution films of silylethynylated tetraazapentacene 1 (acceptor) and silylethynylated pentacene 2 (donor) with the microphase-separated films of 1 and 3, a heptagon-embedded analogue of 2. It is found that the solid solutions of (1)x(2)1-x function as ambipolar semiconductors, whose hole and electron mobilities are tunable by varying the ratio of 1 and 2 in the solid solution. The OTFTs of (1)0.5(2)0.5 exhibit relatively balanced hole and electron mobilities comparable to the highest values as reported for ambipolar OTFTs of stoichiometric donor-acceptor cocrystals and microphase-separated p-n bulk heterojunctions. The solid solution of (1)0.5(2)0.5 and the microphase-separated blend of 1:3 (0.5:0.5) in OTFTs exhibit different responses to light in terms of absorption and photoeffect of OTFTs because the donor and acceptor are mixed at molecular level with π-π stacking in the solid solution.

15.
Angew Chem Int Ed Engl ; 53(26): 6786-90, 2014 Jun 23.
Artigo em Inglês | MEDLINE | ID: mdl-24844806

RESUMO

This study presents a new class of conjugated polycyclic molecules that contain seven-membered rings, detailing their synthesis, crystal structures and semiconductor properties. These molecules have a nearly flat C6-C7-C6-C7-C6 polycyclic framework with a p-quinodimethane core. With field-effect mobilities of up to 0.76 cm(2) V(-1) s(-1) as measured from solution-processed thin-film transistors, these molecules are alternatives to the well-studied pentacene analogues for applications in organic electronic devices.

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