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1.
Nanomaterials (Basel) ; 14(11)2024 May 30.
Artigo em Inglês | MEDLINE | ID: mdl-38869583

RESUMO

This paper presents an application for a molybdenum disulfide nanomaterial with multiwalled carbon nanotubes (MoS2@MWCNT/E) in a modified electrode substrate for the detection of uric acid (UA). The modified electrode generates a substantial three-fold increase in the anodic peak current for UA compared to the unmodified MWCNT electrode (MWCNT/E). The MoS2@MWCNT/E surface was characterized by cyclic voltammetry (CV), scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS) and electrochemical impedance spectroscopy (EIS). The achieved detection limit stood at 0.04 µmol/L, with a relative standard deviation (RSD) of 2.0% (n = 10). The method's accuracy, assessed through relative error and percent recovery, was validated using a urine standard solution spiked with known quantities of UA.

2.
J Proteomics ; 294: 105061, 2024 03 15.
Artigo em Inglês | MEDLINE | ID: mdl-38154550

RESUMO

Paenibacillus sonchi SBR5T is a Gram-positive, endospore-forming facultative aerobic diazotrophic bacterium that can fix nitrogen via an alternative Fe-only nitrogenase (AnfHDGK). In several bacteria, this alternative system is expressed under molybdenum (Mo)-limiting conditions when the conventional Mo-dependent nitrogenase (NifHDK) production is impaired. The regulatory mechanisms, metabolic processes, and cellular functions of N2 fixation by alternative and/or conventional systems are poorly understood in the Paenibacillus genus. We conducted a comparative proteomic profiling study of P. sonchi SBR5T grown under N2-fixing conditions with and without Mo supply through an LC-MS/MS and label-free quantification analysis to address this gap. Protein abundances revealed overrepresented processes related to anaerobiosis growth adaption, Fe-S cluster biosynthesis, ammonia assimilation, electron transfer, and sporulation under N2-fixing conditions compared to non-fixing control. Under Mo limitation, the Fe-only nitrogenase components were overrepresented together with the Mo-transporter system, while the dinitrogenase component (NifDK) of Mo­nitrogenase was underrepresented. The dinitrogenase reductase component (NifH) and accessory proteins encoded by the nif operon had no significant differential expression, suggesting post-transcriptional regulation of nif gene products in this strain. Overall, this was the first comprehensive proteomic analysis of a diazotrophic strain from the Paenibacillaceae family, and it provided insights related to alternative N2-fixation by Fe-only nitrogenase. SIGNIFICANCE: In this work, we try to understand how the alternative nitrogen fixation system, presented by some diazotrophic bacteria, works. For this, we used the SBR5 lineage of P. sonchi, which presents the alternative system in which the nitrogenase cofactor is composed only of iron. In addition, we tried to unravel the proteome of this strain in different situations of nitrogen fixation, since, for Gram-positive bacteria, these systems are little known. The results achieved, through LC-MS/MS and label-free quantitative analysis, showed an overrepresentation of proteins related to different processes involved with growth under stressful conditions in situations of nitrogen deficiency, in addition to suggesting that some encoded proteins by the nif operon may be regulated at post-transcriptional levels. Our findings represent important steps toward the elucidation of nitrogen fixation systems in Gram-positive diazotrophic bacteria.


Assuntos
Fixação de Nitrogênio , Paenibacillus , Proteoma/metabolismo , Proteômica , Cromatografia Líquida , Espectrometria de Massas em Tandem , Nitrogenase/metabolismo , Paenibacillus/genética , Paenibacillus/metabolismo , Molibdênio/metabolismo , Ferro/metabolismo , Nitrogênio/metabolismo
3.
Int J Mol Sci ; 24(12)2023 Jun 17.
Artigo em Inglês | MEDLINE | ID: mdl-37373431

RESUMO

Defective molybdenum disulfide (MoS2) monolayers (MLs) modified with coinage metal atoms (Cu, Ag and Au) embedded in sulfur vacancies are studied at a dispersion-corrected density functional level. Atmospheric constituents (H2, O2 and N2) and air pollutants (CO and NO), known as secondary greenhouse gases, are adsorbed on up to two atoms embedded into sulfur vacancies in MoS2 MLs. The adsorption energies suggest that the NO (1.44 eV) and CO (1.24 eV) are chemisorbed more strongly than O2 (1.07 eV) and N2 (0.66 eV) on the ML with a cooper atom substituting for a sulfur atom. Therefore, the adsorption of N2 and O2 does not compete with NO or CO adsorption. Besides, NO adsorbed on embedded Cu creates a new level in the band gap. In addition, it was found that the CO molecule could directly react with the pre-adsorbed O2 molecule on a Cu atom, forming the complex OOCO, via the Eley-Rideal reaction mechanism. The adsorption energies of CO, NO and O2 on Au2S2, Cu2S2 and Ag2S2 embedded into two sulfur vacancies were competitive. Charge transference occurs from the defective MoS2 ML to the adsorbed molecules, oxidizing the later ones (NO, CO and O2) since they act as acceptors. The total and projected density of states reveal that a MoS2 ML modified with copper, gold and silver dimers could be used to design electronic or magnetic devices for sensing applications in the adsorption of NO, CO and O2 molecules. Moreover, NO and O2 molecules adsorbed on MoS2-Au2s2 and MoS2-Cu2s2 introduce a transition from metallic to half-metallic behavior for applications in spintronics. These modified monolayers are expected to exhibit chemiresistive behavior, meaning their electrical resistance changes in response to the presence of NO molecules. This property makes them suitable for detecting and measuring NO concentrations. Also, modified materials with half-metal behavior could be beneficial for spintronic devices, particularly those that require spin-polarized currents.


Assuntos
Cobre , Gases , Adsorção , Molibdênio , Ouro , Enxofre
4.
Polymers (Basel) ; 15(9)2023 Apr 28.
Artigo em Inglês | MEDLINE | ID: mdl-37177245

RESUMO

This study aimed to investigate how an ultralow content of a molybdenum disulfide (MoS2) two-dimensional particle affects the photodegradation mechanism of polystyrene (PS). Here, an accelerated weathering study was presented on neat polystyrene and its nanocomposites produced with 0.001, 0.002, 0.003 and 0.005 wt% of molybdenum disulfide (MoS2) exposed for various irradiation intervals (up to 8 weeks). The polymer photo-transformations were monitored using size exclusion chromatography (SEC), infrared spectroscopy (FTIR), and UV-Vis spectroscopy. The FTIR and UV/Vis results indicate that the PS degradation mechanism was not altered by the presence of MoS2 particles; however, the degradation reactions were slowed down at higher MoS2 contents (>0.003%). The SEC results proved the stabilizer effect due to MoS2 particles, where M¯n, M¯w, and M¯w/M¯n values after 8 weeks were less modified when compared with the neat PS results. The MoS2 acted as a UV stabilizer, and these two-dimensional particles acted by deactivating the free radicals generated by the PS matrix, even considering the low amount of the filler (<0.005 wt%).

5.
Materials (Basel) ; 16(7)2023 Apr 06.
Artigo em Inglês | MEDLINE | ID: mdl-37049218

RESUMO

Cobalt-chromium-molybdenum (Co-Cr-Mo) alloy is a material recommended for biomedical implants; however, to be suitable for this application, it should have good tribological properties, which are related to grain size. This paper investigates the tribological behaviour of a Co-Cr-Mo alloy produced using investment casting, together with electromagnetic stirring, to reduce its grain size. The samples were subjected to wear and scratch tests in simulated body fluid (Ringer's lactate solution). Since a reduction in grain size can influence the behaviour of the material, in terms of resistance and tribological response, four samples with different grain sizes were produced for use in our investigation of the behaviour of the alloy, in which we considered the friction coefficient, wear, and scratch resistance. The experiments were performed using a tribometer, with mean values for the friction coefficient, normal load, and tangential force acquired and recorded by the software. Spheres of Ti-6Al-4V and 316L steel were used as counterface materials. In addition, to elucidate the influence of grain size on the mechanical properties of the alloy, observations were conducted via scanning electron microscopy (SEM) with electron backscatter diffraction (EBSD). The results showed changes in the structure, with a reduction in grain size from 5.51 to 0.79 mm. Using both spheres, the best results for the friction coefficient and wear volume corresponded to the sample with the smallest grain size of 0.79 mm. The friction coefficients obtained were 0.37 and 0.45, using the Ti-6Al-4V and 316L spheres, respectively. These results confirm that the best surface finish for Co-Cr-Mo alloy used as a biomedical implant is one with a smaller grain size, since this results in a lower friction coefficient and low wear.

6.
Cell Mol Neurobiol ; 43(6): 2895-2907, 2023 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-36862242

RESUMO

Isolated sulfite oxidase (ISOD) and molybdenum cofactor (MoCD) deficiencies are genetic diseases biochemically characterized by the toxic accumulation of sulfite in the tissues of patients, including the brain. Neurological dysfunction and brain abnormalities are commonly observed soon after birth, and some patients also have neuropathological alterations in the prenatal period (in utero). Thus, we investigated the effects of sulfite on redox and mitochondrial homeostasis, as well as signaling proteins in the cerebral cortex of rat pups. One-day-old Wistar rats received an intracerebroventricular administration of sulfite (0.5 µmol/g) or vehicle and were euthanized 30 min after injection. Sulfite administration decreased glutathione levels and glutathione S-transferase activity, and increased heme oxygenase-1 content in vivo in the cerebral cortex. Sulfite also reduced the activities of succinate dehydrogenase, creatine kinase, and respiratory chain complexes II and II-III. Furthermore, sulfite increased the cortical content of ERK1/2 and p38. These findings suggest that redox imbalance and bioenergetic impairment induced by sulfite in the brain are pathomechanisms that may contribute to the neuropathology of newborns with ISOD and MoCD. Sulfite disturbs antioxidant defenses, bioenergetics, and signaling pathways in the cerebral cortex of neonatal rats. CII: complex II; CII-III: complex II-III; CK: creatine kinase; GST: glutathione S-transferase; HO-1: heme oxygenase-1; SDH: succinate dehydrogenase; SO32-: sulfite.


Assuntos
Córtex Cerebral , Metabolismo Energético , Cofatores de Molibdênio , Sulfito Oxidase , Sulfitos , Animais , Ratos , Animais Recém-Nascidos , Oxirredução , Sulfitos/efeitos adversos , Sulfito Oxidase/metabolismo , Cofatores de Molibdênio/metabolismo , Ratos Wistar , Homeostase , Mitocôndrias/metabolismo , Córtex Cerebral/efeitos dos fármacos , Córtex Cerebral/metabolismo , Antioxidantes/metabolismo
7.
J Phys Condens Matter ; 35(6)2022 Dec 23.
Artigo em Inglês | MEDLINE | ID: mdl-36379066

RESUMO

The present work analyses the transmittance and reflectance spectra of molybdenum trioxide film doped by silver nanoparticles as a function of angle of incidence and wavelength. As will be seen in this work, at values of angle of incidence below 40 degrees and with volume filling fraction below 1% also, some differences between the two effective medium theories are presented. First, the volume filling fraction is limited for low values (<1%) and second the scattering amplitude cannot be ignored for these cases. The novelty of this work is that the use of the effective medium model (refractive index) shows limitations in the description of the optical properties when it was applied to thin solid films.

8.
Polymers (Basel) ; 14(19)2022 Oct 03.
Artigo em Inglês | MEDLINE | ID: mdl-36236091

RESUMO

The hybrid film of molybdenum oxide (MoO3) and poly(3,4-ethylenedyoxithiophene) polystyrene sulfonate (PEDOT:PSS) is a promising candidate for use as hole transport layer (HTL) in low-cost devices. A fast, controllable and economic process was used to fabricate high-performance HTLs by adding organotin (IV) semiconductors to the MoO3/PEDOT:PSS films. These hybrid films were fabricated by spin-coating and the MoO3/PEDOT:PSS-organotin (IV) complex films were characterized by infrared spectroscopy, scanning electron microscopy (SEM) and atomic force microscopy (AFM). Some mechanical and optical properties of the hybrid films were obtained and, to electrically characterize the hybrid films, hetero-junction glass/ITO/MoO3/PEDOT:PSS-organotin (IV) complex/Ag devices were prepared. Regarding the mechanical properties, the films have high plastic deformation, with a maximum stress of around 40 MPa and a Knoop hardness of 0.14. With respect to optical behavior, the films showed high transparency, with optical gap values between 2.8 and 3.5 eV and an onset gap of around 2.4 eV, typical of semiconductors. Additionally, the films in their respective devices show ambipolar and ohmic behavior with small differences depending on the substituent in organotin (IV) semiconductors. The MoO3/PEDOT:PSS matrix defines the mechanical behavior of the films and the tin complexes contribute their optoelectronic properties.

9.
Int J Mol Sci ; 23(14)2022 Jul 19.
Artigo em Inglês | MEDLINE | ID: mdl-35887282

RESUMO

Alzheimer's disease (AD) and other forms of dementia was ranked 3rd in both the Americas and Europe in 2019 in a World Health Organization (WHO) publication listing the leading causes of death and disability worldwide. Copper (Cu) imbalance has been reported in AD and increasing evidence suggests metal imbalance, including molybdenum (Mo), as a potential link with AD occurrence.We conducted an extensive literature review of the last 60 years of research on AD and its relationship with Cu, sulfur (S), and Mo at out of range levels.Weanalyzed the interactions among metallic elements' metabolisms;Cu and Mo are biological antagonists, Mo is a sulfite oxidase and xanthine oxidase co-factor, and their low activities impair S metabolism and reduce uric acid, respectively. We found significant evidence in the literature of a new potential mechanism linking Cu imbalance to Mo and S abnormalities in AD etiology: under certain circumstances, the accumulation of Cu not bound to ceruloplasmin might affect the transport of Mo outside the blood vessels, causing a mild Mo deficiency that might lowerthe activity of Mo and S enzymes essential for neuronal activity. The current review provides an updated discussion of the plausible mechanisms combining Cu, S, and Mo alterations in AD.


Assuntos
Doença de Alzheimer , Molibdênio , Doença de Alzheimer/etiologia , Cobre/metabolismo , Dieta , Humanos , Molibdênio/metabolismo , Enxofre
10.
Nanomaterials (Basel) ; 12(12)2022 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-35745394

RESUMO

In this work, flower-like molybdenum disulfide (MoS2) microspheres were produced with polyethylene glycol (PEG) to form MoS2-PEG. Likewise, gold nanoparticles (AuNPs) were added to form MoS2-PEG/Au to investigate its potential application as a theranostic nanomaterial. These nanomaterials were fully characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), photoelectron X-ray spectroscopy (XPS), Fourier-transformed infrared spectroscopy (FTIR), cyclic voltammetry and impedance spectroscopy. The produced hierarchical MoS2-PEG/Au microstructures showed an average diameter of 400 nm containing distributed gold nanoparticles, with great cellular viability on tumoral and non-tumoral cells. This aspect makes them with multifunctional characteristics with potential application for cancer diagnosis and therapy. Through the complete morphological and physicochemical characterization, it was possible to observe that both MoS2-PEG and MoS2-PEG/Au showed good chemical stability and demonstrated noninterference in the pattern of the cell nucleus, as well. Thus, our results suggest the possible application of these hybrid nanomaterials can be immensely explored for theranostic proposals in biomedicine.

11.
Biomed Phys Eng Express ; 8(4)2022 06 03.
Artigo em Inglês | MEDLINE | ID: mdl-35594845

RESUMO

The titanium alloy composition and microdesign affect the dynamic interplay between the bone cells and titanium surface in the osseointegration process. The current study aimed to evaluate the surface physicochemical properties, electrochemical stability, and the metabolic response of the MC3T3-E1 cells (pre-osteoblast cell line) cultured onto titanium-15molybdenum (Ti-15Mo) discs treated with phosphoric acid (H3PO4) and sodium hydroxide (NaOH) and/or strontium-loading by the hydrothermal method. The x-ray dispersive energy spectroscopy (EDS) and x-ray diffraction (XRD) analysis showed no trace of impurities and the possible formation of hydrated strontium oxide (H2O2Sr), respectively. The confocal laser microscopy (CLSM) analysis indicated that titanium samples treated with strontium (Sr) showed greater surface roughness. The acid/alkali treatment prior to the hydrothermal Sr deposition improved the surface free energy and resistance to corrosion of the Ti-15Mo alloy. The acid/alkali treatment also provided greater retention of the Sr particles on the Ti-15Mo surfaces accordingly with inductively coupled plasma optical emission spectrometry (ICP-OES) analysis. The AlamarBlue and fluorescence analysis indicated noncytotoxic effects against the MC3T3-E1 cells, which allowed cells' adhesion and proliferation, with greater cells' spreading in the Sr-loaded Ti-15Mo samples. These findings suggest that Sr deposition by the hydrothermal method has the potential to enhance the physicochemical properties of the Ti-15Mo previously etched with H3PO4and NaOH, and also improve the initial events related to cell-mediated bone deposition.


Assuntos
Estrôncio , Titânio , Ligas/farmacologia , Proliferação de Células , Hidróxido de Sódio/farmacologia , Estrôncio/química , Estrôncio/farmacologia , Propriedades de Superfície , Titânio/química , Titânio/farmacologia
12.
ACS Appl Mater Interfaces ; 14(5): 6777-6793, 2022 Feb 09.
Artigo em Inglês | MEDLINE | ID: mdl-35080174

RESUMO

Electrocatalytic production of H2O2 via a two-electron oxygen reduction reaction (ORR-2e-) is regarded as a highly promising decentralized and environmentally friendly mechanism for the production of this important chemical commodity. However, the underlying challenges related to the development of catalytic materials that contain zero or low content of noble metals and that are relatively more active, selective, and resistant for long-term use have become a huge obstacle for the electroproduction of H2O2 on commercial and industrial scales. The present study reports the synthesis and characterization of low metal-loaded (≤6.4 wt %) catalysts and their efficiency in H2O2 electroproduction. The catalysts were constructed using gold palladium molybdenum oxide (AuPdMoOx) and palladium molybdenum oxide (PdMoOx) nanoparticles supported on graphene nanoribbons. Based on the application of a rotating ring-disk electrode, we conducted a thorough comparative analysis of the electrocatalytic performance of the catalysts in the ORR under acidic and alkaline media. The proposed catalysts exhibited high catalytic activity (ca. 0.08 mA gnoble metal-1 in an acidic medium and ca. 6.6 mA gnoble metal-1 in an alkaline medium), good selectivity (over 80%), and improved long-term stability toward ORR-2e-. The results obtained showed that the enhanced ORR activity presented by the catalysts, which occurred preferentially via the two-electron pathway, was promoted by a combination of factors including geometry, Pd content, interparticle distance, and site-blocking effects, while the electrochemical stability of the catalysts may have been enhanced by the presence of MoOx.

13.
J Contam Hydrol ; 244: 103931, 2022 01.
Artigo em Inglês | MEDLINE | ID: mdl-34861479

RESUMO

Reactive transport models have proven abilities to simulate the quantity and quality of drainage from mine waste rock. Tracer experiments indicate the presence of fast and slow flow regimes in many heterogeneous waste-rock piles. Although multidomain models have been developed specifically for systems with such distinctive hydrodynamics, there have been limited applications of multidomain reactive transport models to simulate composite drainage chemistries from waste-rock piles to date. This work evaluated the ability of dual-domain multicomponent reactive transport models (DDMRTMs) to reproduce breakthrough curves of conservative (chloride) and reactive (molybdenum) solutes observed at a well-characterized experimental waste-rock pile at the Antamina Mine, Peru. We found that the DDMRTM simulations quantitatively matched eight-year-long records of conservative transport through the waste-rock pile when parameterized mainly with field-measured properties obtained from the site and limited calibration. The DDMRTM model also provided a reasonable match to field observations of the reactive solute. The limited calibrated parameters are physically realistic, corroborating the ability of these multidomain models to reproduce the complex reactive-transport processes governing polluted rock drainage from large-scale waste-rock piles.


Assuntos
Mineração , Modelos Teóricos , Peru
14.
Nanomaterials (Basel) ; 11(6)2021 Jun 10.
Artigo em Inglês | MEDLINE | ID: mdl-34200636

RESUMO

The smart healthcare devices connected with the internet of things (IoT) for medical services can obtain physiological data of risk patients and communicate these data in real-time to doctors and hospitals. These devices require power sources with a sufficient lifetime to supply them energy, limiting the conventional electrochemical batteries. Additionally, these batteries may contain toxic materials that damage the health of patients and environment. An alternative solution to gradually substitute these electrochemical batteries is the development of triboelectric energy harvesters (TEHs), which can convert the kinetic energy of ambient into electrical energy. Here, we present the fabrication of a TEH formed by a stainless steel substrate (25 mm × 15 mm) coated with a molybdenum disulfide (MoS2) film as top element and a polydimethylsiloxane (PDMS) film deposited on indium tin oxide coated polyethylene terephthalate substrate (PET/ITO). This TEH has a generated maximum voltage of 2.3 V and maximum output power of 112.55 µW using a load resistance of 47 kΩ and a mechanical vibration to 59.7 Hz. The proposed TEH could be used to power potential smart healthcare devices.

15.
Nanomaterials (Basel) ; 11(7)2021 Jun 24.
Artigo em Inglês | MEDLINE | ID: mdl-34202517

RESUMO

In this work, the production of renewable hydrocarbons was explored by the means of waste cottonseed oil (WCSO) micropyrolysis at 500 °C. Catalytic upgrading of the pyrolysis vapors was studied using α-Al2O3, γ-Al2O3, Mo-Co/γ-Al2O3, and Mo-Ni/γ-Al2O3 catalysts. The oxygen removal efficiency was much lower in non-catalytic pyrolysis (18.0%), whilst γ-Al2O3 yielded a very high oxygen removal efficiency (91.8%), similar to that obtained with Mo-Co/γ-Al2O3 (92.8%) and higher than that attained with Mo-Ni/γ-Al2O3 (82.0%). Higher conversion yields into total renewable hydrocarbons were obtained with Mo-Co/γ-Al2O3 (61.9 wt.%) in comparison to Mo-Ni/γ-Al2O3 (46.6%). GC/MS analyses showed a relative chemical composition of 31.3, 86.4, and 92.6% of total renewable hydrocarbons and 58.7, 7.2, and 4.2% of oxygenated compounds for non-catalytic bio-oil (BOWCSO), BOMoNi and BOMoCo, respectively. The renewable hydrocarbons that were derived from BOMoNi and BOMoCo were mainly composed by olefins (35.3 and 33.4%), aromatics (31.4 and 28.9%), and paraffins (13.8 and 25.7%). The results revealed the catalysts' effectiveness in FFA decarbonylation and decarboxylation, as evidenced by significant changes in the van Krevelen space, with the lowest O/C ratio values for BOMoCo and BOMoNi (O/C = 0-0.10) in relation to the BOWCSO (O/C = 0.10-0.20), and by a decrease in the presence of oxygenated compounds in the catalytic bio-oils.

16.
Environ Sci Pollut Res Int ; 28(35): 48929-48941, 2021 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-33928502

RESUMO

Some regions of Argentina are affected by high concentrations of molybdenum, arsenic and vanadium from natural sources in their groundwater. In particular, Mo levels in groundwater from Eduardo Castex (La Pampa, Argentina) typically exceed the guidelines for drinking water formerly established by WHO at 70 µg/L. Therefore, this study investigated the uptake of Mo in plants, using cress (Lepidium sativum L.) as a model using hydroponic experiments with synthetic solutions and groundwater from La Pampa. Cress grown from control experiments (150 µg/L Mo, pH 7) presented an average Mo concentration of 35.2 mg/kg (dry weight, d.w.), higher than the typical total plant range (0.7-2.5 mg/kg d.w.) in the literature. Using pooled groundwater samples (65.0-92.5 µg/L Mo) from wells of La Pampa (Argentina) as growth solutions resulted in significantly lower cress Mo levels (1.89-4.59 mg/kg d.w.) than were obtained for synthetic solutions of equivalent Mo concentration. This may be due to the high levels in these groundwater samples of As, V, Fe and Mn which are known to be associated with volcanic deposits. This research addressed the hitherto scarcity of data about the effect of various physicochemical parameters on the uptake of Mo in plants.


Assuntos
Arsênio , Água Potável , Água Subterrânea , Poluentes Químicos da Água , Arsênio/análise , Molibdênio/análise , Poluentes Químicos da Água/análise
17.
Molecules ; 26(3)2021 Jan 21.
Artigo em Inglês | MEDLINE | ID: mdl-33494201

RESUMO

Reaction of heterometallic cubane-type cluster complexes-[Mo3{Pd(dba)}S4Cl3(dbbpy)3]PF6, [Mo3{Pd(tu)}S4Cl3(dbbpy)3]Cl and [Mo3{Pd(dba)}S4(acac)3(py)3]PF6, where dba-dibenzylideneacetone, dbbpy-4,4'-di-tert-butyl-2,2'-bipyridine, tu-thiourea, acac-acetylacetonate, py-pyridine, with white phosphorus (P4) in the presence of water leads to the formation of phosphorous acid H3PO3 as the major product. The crucial role of the Pd atom in the cluster core {Mo3PdS4} has been established in the hydrolytic activation of P4 molecule. The main intermediate of the process, the cluster complex [Mo3{PdP(OH)3}S4Cl3(dbbpy)3]+ with coordinated P(OH)3 molecule and phosphine PH3, have been detected by 31P NMR spectroscopy in the reaction mixture.


Assuntos
Molibdênio/química , Compostos Organometálicos/química , Paládio/química , Fósforo/química , Hidrólise
18.
J Environ Manage ; 282: 111602, 2021 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-33495037

RESUMO

Photocatalytic oxidation of arsenite (As(III)) to arsenate (As(V)) was studied in aqueous solution using a series of WO3/TiO2 semiconductors readily synthesized through sol-gel method with WO3 content in the range of 1-5 wt%. The resulting materials showed enhanced photocatalytic activity towards As(III) photo-oxidation compared to their individual counterparts under UV radiation. The amount of As(III) and As(V) species in the irradiated solution was determined using the molybdenum blue method. The efficiency of photoinduced carriers separation was further affirmed by electrical impedance spectroscopy (EIS) and photocurrent tests. The maximum catalytic efficiency was observed when the binary oxide 3%WO3/TiO2 (TW3) was used, reaching a 99% conversion of As(III) to As(V) within the first 25 min under UV irradiation. The enhanced photocatalytic performance of the heterostructures could be explained as consequent to an improved charge separation due to the migration of photoproduced holes in TW3 photocatalyst. Based on the electric band structure of WO3 and TiO2, a reasonable mechanism for the photo-oxidation of As(III) over TW3 novel catalyst has been proposed.


Assuntos
Arsênio , Nanoestruturas , Catálise , Titânio
19.
Iran Endod J ; 16(1): 49-55, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-36704415

RESUMO

Introduction: The objective of this study was to compare the mechanical and structural properties of the nickel-titanium (Ni-Ti) alloy already used in endodontics with titanium-molybdenum (Ti-Mo) and titanium-niobium (Ti-Nb) alloys to determine if these can be suggested in the manufacture of endodontic files. Methods and Materials: Orthodontic wires made of the different alloys were used. The previously mentioned alloys were characterized by energy-dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD) and torsion tests. Cyclic fatigue tests were performed on a simulated canal with a curvature of 86° to 375 rpm. The fractured surfaces of the wires were observed by means of scanning electron microscopy (SEM). A Kruskal-Wallis test and U Mann Whitney test were used to determine significant differences in cyclic fatigue between groups. Results: In the mechanical tests, similar values of torsion were found for the three alloys. In XRD, the Ti-Nb showed less structural changes. In the cyclic fatigue test, Ti-Nb was found to be significantly more resistant with respect to Ni-Ti and Ti-Mo. Conclusion: Based on our in vitro study, Ti-Nb is suggested as a possible alloy for the manufacture of rotary files due to its impressive properties.

20.
Dental press j. orthod. (Impr.) ; 25(4): 44-50, July-Aug. 2020. tab, graf
Artigo em Inglês | LILACS, BBO - Odontologia | ID: biblio-1133679

RESUMO

ABSTRACT Objective: To perform a numerical simulation using FEM to study the von Mises stresses on Mushroom archwires. Methods: Mushroom archwires made of titanium-molybdenum alloy with 0.017 x 0.025-in cross-section were used in this study. A YS of 1240 MPa and a Young's modulus of 69 GPa were adopted. The archwire was modeled in Autodesk Inventor software and its behavior was simulated using the finite element code Ansys Workbench (Swanson Analysis Systems, Houston, Pennsylvania, USA). A large displacement simulation was used for non-linear analysis. The archwires were deformed in their extremities with 0° and 45°, and activated by their vertical extremities separated at 4.0 or 5.0 mm. Results: Tensions revealed a maximum of 1158 MPa at the whole part of the loop at 5.0mm of activation, except in a very small area situated at the top of the loop, in which a maximum of 1324 Mpa was found. Conclusions: Mushroom loops are capable to produce tension levels in an elastic range and could be safely activated up to 5.0mm.


RESUMO Objetivo: Realizar uma simulação numérica, por meio do Método dos Elementos Finitos (MEF), para obter as tensões de von Mises em arcos Mushroom. Métodos: Foram usados arcos com geometria Mushroom de titânio-molibdênio, com secção transversal 0,017" x 0,025". Adotou-se valores de tensão de escoamento (σesc) de 1.240 MPa e módulo de elasticidade (E) de 69 GPa. O arco foi modelado por meio do software Autodesk Inventor, e seu desempenho foi simulado utilizando-se o software de elementos finitos Ansys Workbench (Swanson Analysis System, Houston, Pennsylvania, EUA). Para a simulação, foi considerada a análise para grandes deslocamentos. O arco foi conformado em suas extremidades considerando-se planos de 0° e 45°, pré-ativado em 2,5mm e ativado por meio de suas extremidades verticais, separadas 4,0 mm ou 5,0 mm. Resultados: As tensões revelaram um valor máximo de 1.158 MPa na maior parte da alça, aos 5,0 mm de ativação, com exceção de uma área muito pequena, com valor de 1.324 MPa, situada no topo da alça. Conclusões: Os arcos Mushroom são capazes de produzir níveis de tensão situados dentro da região elástica e poderiam ser ativados com segurança até os 5,0 mm de ativação.


Assuntos
Titânio , Análise de Elementos Finitos , Molibdênio , Dinâmica não Linear
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