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1.
Sci Rep ; 14(1): 10556, 2024 05 08.
Artículo en Inglés | MEDLINE | ID: mdl-38719847

RESUMEN

Fertilization with nickel (Ni) can positively affect plant development due to the role of this micronutrient in nitrogen (N) metabolism, namely, through urease and NiFe-hydrogenase. Although the application of Ni is an emerging practice in modern agriculture, its effectiveness strongly depends on the chosen application method, making further research in this area essential. The individual and combined effects of different Ni application methods-seed treatment, leaf spraying and/or soil fertilization-were investigated in soybean plants under different edaphoclimatic conditions (field and greenhouse). Beneficial effects of the Soil, Soil + Leaf and Seed + Leaf treatments were observed, with gains of 7 to 20% in biological nitrogen fixation, 1.5-fold in ureides, 14% in shoot dry weight and yield increases of up to 1161 kg ha-1. All the Ni application methods resulted in a 1.1-fold increase in the SPAD index, a 1.2-fold increase in photosynthesis, a 1.4-fold increase in nitrogenase, and a 3.9-fold increase in urease activity. Edaphoclimatic conditions exerted a significant influence on the treatments. The integrated approaches, namely, leaf application in conjunction with soil or seed fertilization, were more effective for enhancing yield in soybean cultivation systems. The determination of the ideal method is crucial for ensuring optimal absorption and utilization of this micronutrient and thus a feasible and sustainable management technology. Further research is warranted to establish official guidelines for the application of Ni in agricultural practices.


Asunto(s)
Fertilizantes , Glycine max , Níquel , Suelo , Glycine max/crecimiento & desarrollo , Glycine max/efectos de los fármacos , Glycine max/metabolismo , Fertilizantes/análisis , Suelo/química , Ureasa/metabolismo , Hojas de la Planta/crecimiento & desarrollo , Hojas de la Planta/metabolismo , Hojas de la Planta/efectos de los fármacos , Fijación del Nitrógeno/efectos de los fármacos , Nitrógeno/metabolismo , Fotosíntesis/efectos de los fármacos , Semillas/crecimiento & desarrollo , Semillas/efectos de los fármacos , Semillas/metabolismo , Agricultura/métodos
2.
PLoS One ; 19(5): e0302972, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38722925

RESUMEN

Electroless nickel plating is a suitable technology for the hydrogen industry because electroless nickel can be mass-produced at a low cost. Investigating in a complex environment where hydrogen permeation and friction/wear work simultaneously is necessary to apply it to hydrogen valves for hydrogen fuel cell vehicles. In this research, the effects of hydrogen permeation on the mechanical characteristics of electroless nickel-plated free-cutting steel (SUM 24L) were investigated. Due to the inherent characteristics of electroless nickel plating, the damage (cracks and delamination of grain) and micro-particles by hydrogen permeation were clearly observed at the grain boundaries and triple junctions. In particular, the cracks grew from grain boundary toward the intergranualr. This is because the grain boundaries and triple junctions are hydrogen permeation pathways and increasing area of the hydrogen partial pressure. As a result, its surface roughness increased by a maximum of two times, and its hardness and adhesion strength decreased by hydrogen permeation. In particular, hydrogen permeation increased the friction coefficient of the electroless nickel-plated layer, and the damage caused by adhesive wear was significantly greater, increasing the wear depth by up to 5.7 times. This is believed to be due to the decreasing in wear resistance of the electroless nickel plating layer damaged by hydrogen permeation. Nevertheless, the Vickers hardness and the friction coefficient of the electroless nickel plating layer were improved by about 3 and 5.6 times, respectively, compared with those of the free-cutting steel. In particular, the electroless nickel-plated specimens with hydrogen embrittlement exhibited significantly better mechanical characteristics and wear resistance than the free-cutting steel.


Asunto(s)
Hidrógeno , Níquel , Acero , Hidrógeno/química , Níquel/química , Acero/química , Suministros de Energía Eléctrica , Propiedades de Superficie , Ensayo de Materiales
3.
Environ Monit Assess ; 196(6): 540, 2024 May 11.
Artículo en Inglés | MEDLINE | ID: mdl-38733434

RESUMEN

X-ray fluorescence is a fast, cost-effective, and eco-friendly method for elemental analyses. Portable X-ray fluorescence spectrometers (pXRF) have proven instrumental in detecting metals across diverse matrices, including plants. However, sample preparation and measurement procedures need to be standardized for each instrument. This study examined sample preparation methods and predictive capabilities for nickel (Ni) concentrations in various plants using pXRF, employing empirical calibration based on inductively coupled plasma optical emission spectroscopy (ICP-OES) Ni data. The evaluation involved 300 plant samples of 14 species with variable of Ni accumulation. Various dwell times (30, 60, 90, 120, 300 s) and sample masses (0.5, 1.0, 1.5, 2.0 g) were tested. Calibration models were developed through empirical and correction factor approaches. The results showed that the use of 1.0 g of sample (0.14 g cm-2) and a dwell time of 60 s for the study conditions were appropriate for detection by pXRF. Ni concentrations determined by ICP-OES were highly correlated (R2 = 0.94) with those measured by the pXRF instrument. Therefore, pXRF can provide reliable detection of Ni in plant samples, avoiding the digestion of samples and reducing the decision-making time in environmental management.


Asunto(s)
Monitoreo del Ambiente , Níquel , Plantas , Espectrometría por Rayos X , Níquel/análisis , Monitoreo del Ambiente/métodos , Monitoreo del Ambiente/instrumentación , Espectrometría por Rayos X/métodos , Plantas/química , Contaminantes del Suelo/análisis
4.
Sci Rep ; 14(1): 11017, 2024 05 14.
Artículo en Inglés | MEDLINE | ID: mdl-38745041

RESUMEN

Mining activities have increased the potential risks of metal pollution to the groundwater resources in arid areas across the globe. Therefore, this study aimed to examine the health risk associated with nickel (Ni) in the groundwater sources of a mining-impacted area, South Khorasan, Eastern Iran. A total of 110 stations were included in the study, comprising 62 wells, 40 qanats, and 8 springs in summer, 2020. Initially, the collected samples were tested for temperature, pH, and electrical conductivity (EC). Subsequently, the samples were filtered and treated with nitric acid (HNO3) to measure the concentration of Ni using Inductively Coupled Plasma Mass Spectrometry (ICP-MS). Hazard quotient (HQ) and non-carcinogenic risk assessments were employed to evaluate the potential risks of Ni to the inhabitants. The findings revealed that the concentration of Ni ranged from 0.02 to 132.39 µg l-1, and only two stations exhibited Ni concentrations above the WHO standards (20 µg l-1). The results demonstrated that 98.21% of the sampled locations had HQ values below one, indicating negligible risk, while 1.78% of the stations exhibited HQ values of one or higher, representing a high non-carcinogenic risk for water consumers. Overall, the concentration of nickel in the groundwater of South Khorasan exceeded the World Health Organization (WHO) limit solely in the Halvan station, posing a non-carcinogenic risk for the residents in that area, and therefore, additional efforts should be made to provide healthier groundwater to consumers in this region.


Asunto(s)
Monitoreo del Ambiente , Agua Subterránea , Minería , Níquel , Contaminantes Químicos del Agua , Níquel/análisis , Agua Subterránea/análisis , Agua Subterránea/química , Medición de Riesgo , Contaminantes Químicos del Agua/análisis , Humanos , Irán , Monitoreo del Ambiente/métodos
5.
Sci Rep ; 14(1): 11042, 2024 05 14.
Artículo en Inglés | MEDLINE | ID: mdl-38745058

RESUMEN

Nickel (Ni) is a heavy metal that adversely affects the growth of different crops by inducing oxidative stress and nutrient imbalance. The role of rhizobacteria (RB) is vital to resolve this issue. They can promote root growth and facilitate the uptake of water and nutrients, resulting in better crop growth. On the other hand, γ-aminobutyric acid (GABA) can maintain the osmotic balance and scavenge the reactive oxygen species under stress conditions. However, the combined effect of GABA and RB has not been thoroughly explored to alleviate Ni toxicity, especially in fenugreek plants. Therefore, in the current pot study, four treatments, i.e., control, A. fabrum (RB), 0.40 mM GABA, and 0.40 mM GABA + RB, were applied under 0Ni and 80 mg Ni/kg soil (80Ni) stress. Results showed that RB + 0.40 mM GABA caused significant improvements in shoot length (~ 13%), shoot fresh weight (~ 47%), shoot dry weight (~ 47%), root length (~ 13%), root fresh weight (~ 60%), and root dry weight (~ 15%) over control under 80 Ni toxicity. A significant enhancement in total chlorophyll (~ 14%), photosynthetic rate (~ 17%), stomatal CO2 concentration (~ 19%), leaves and roots N (~ 10 and ~ 37%), P (~ 18 and ~ 7%) and K (~ 11 and ~ 30%) concentrations, while a decrease in Ni (~ 83 and ~ 49%) concentration also confirmed the effectiveness of RB + 0.40 mM GABA than control under 80Ni. In conclusion, fabrum + 0.40 mM GABA can potentially alleviate the Ni toxicity in fenugreek plants. The implications of these findings extend to agricultural practices, environmental remediation efforts, nutritional security, and ecological impact. Further research is recommended to elucidate the underlying mechanisms, assess long-term effects, and determine the practical feasibility of using A. fabrum + 0.40GABA to improve growth in different crops under Ni toxicity.


Asunto(s)
Níquel , Trigonella , Ácido gamma-Aminobutírico , Níquel/toxicidad , Ácido gamma-Aminobutírico/metabolismo , Raíces de Plantas/efectos de los fármacos , Raíces de Plantas/crecimiento & desarrollo , Raíces de Plantas/metabolismo , Contaminantes del Suelo/toxicidad
6.
BMC Oral Health ; 24(1): 564, 2024 May 14.
Artículo en Inglés | MEDLINE | ID: mdl-38745154

RESUMEN

BACKGROUND: Alterations in the mechanical properties of the materials utilized in orthodontic appliances could affect the working properties of the appliances, thereby affecting clinical progress and outcome. Numerous studies have confirmed the correlation between alloy corrosion and raised surface roughness, which has a direct impact on the working characteristics of orthodontic archwires. METHODS: Thirty nickel-titanium (NiTi) orthodontic archwires were utilized in this study. Patients were randomly selected and allocated into three groups according to the randomization plan; (The control group): subjects practiced regular oral hygiene; (The fluoride group): subjects used fluoride for intensive prophylaxis; (The chlorhexidine group): subjects used chlorhexidine. Representative samples were evaluated by SEM, and then SEM images with high resolution were examined using Image J software to determine the surface roughness and obtain the results for further statistical analysis. RESULTS: Our findings indicated a significant difference was found between the three groups regarding the anterior and posterior parts between the control and the two other groups and a non-significant difference between NaF and CHX groups. Overall, the p-value for group comparisons was 0.000 for both parts, indicating a highly significant difference especially between the control and NaF groups. CONCLUSION: Mouthwashes containing sodium fluoride demonstrated more significant surface alterations than the control and CHX groups and should be prescribed in accordance with orthodontic materials to reduce side effects.


Asunto(s)
Aleaciones , Clorhexidina , Aleaciones Dentales , Microscopía Electrónica de Rastreo , Níquel , Alambres para Ortodoncia , Fluoruro de Sodio , Propiedades de Superficie , Humanos , Fluoruro de Sodio/uso terapéutico , Clorhexidina/uso terapéutico , Corrosión , Aleaciones Dentales/química , Níquel/química , Titanio/química , Cariostáticos/uso terapéutico , Cariostáticos/química , Masculino , Femenino , Adulto Joven , Antisépticos Bucales/uso terapéutico , Antisépticos Bucales/química , Procesamiento de Imagen Asistido por Computador/métodos , Adolescente , Adulto , Higiene Bucal
7.
Luminescence ; 39(5): e4768, 2024 May.
Artículo en Inglés | MEDLINE | ID: mdl-38719590

RESUMEN

In this study, we synthesize nanostructured nickel oxide (NiO) and doped cobalt (Co) by combining nickel(II) chloride hexahydrate (NiCl2.6H2O) and sodium hydroxide (NaOH) as initial substances. We analyzed the characteristics of the product nanostructures, including their structure, optical properties, and magnetic properties, using various techniques such as x-ray diffraction (XRD), scanning electron microscopy (SEM), ultraviolet absorption spectroscopy (UV-Vis), Fourier transform infrared (FTIR) spectroscopy, and vibrating sample magnetometers (VSM). The NiO nanoparticles doped with Co showed photocatalytic activity in degrading methylene blue (MB) dye in aqueous solutions. We calculated the degradation efficiencies by analyzing the UV-Vis absorption spectra at the dye's absorption wavelength of 664 nm. It was observed that the NiO-doped Co nanoparticles facilitated enhanced recombination and migration of active elements, which led to more effective degradation of organic dyes during photocatalysis. We also assessed the electrochemical properties of the materials using cyclic voltammetry (CV) and impedance spectroscopy in a 1 mol% NaOH solution. The NiO-modified electrode exhibited poor voltammogram performance due to insufficient contact between nanoparticles and the electrolyte solution. In contrast, the uncapped NiO's oxidation and reduction cyclic voltammograms displayed redox peaks at 0.36 and 0.30 V, respectively.


Asunto(s)
Cobalto , Electroquímica , Electrodos , Nanocompuestos , Níquel , Nanocompuestos/química , Níquel/química , Cobalto/química , Difracción de Rayos X , Espectroscopía Infrarroja por Transformada de Fourier , Luminiscencia , Microscopía Electrónica de Rastreo , Tamaño de la Partícula , Fenómenos Magnéticos , Nanopartículas/química , Luz , Catálisis , Óxidos/química , Azul de Metileno/metabolismo
8.
Nat Commun ; 15(1): 4036, 2024 May 13.
Artículo en Inglés | MEDLINE | ID: mdl-38740750

RESUMEN

Microbial Ni2+ homeostasis underpins the virulence of several clinical pathogens. Ni2+ is an essential cofactor in urease and [NiFe]-hydrogenases involved in colonization and persistence. Many microbes produce metallophores to sequester metals necessary for their metabolism and starve competing neighboring organisms. The fungal metallophore aspergillomarasmine A (AMA) shows narrow specificity for Zn2+, Ni2+, and Co2+. Here, we show that this specificity allows AMA to block the uptake of Ni2+ and attenuate bacterial Ni-dependent enzymes, offering a potential strategy for reducing virulence. Bacterial exposure to AMA perturbs H2 metabolism, ureolysis, struvite crystallization, and biofilm formation and shows efficacy in a Galleria mellonella animal infection model. The inhibition of Ni-dependent enzymes was aided by Zn2+, which complexes with AMA and competes with the native nickelophore for the uptake of Ni2+. Biochemical analyses demonstrated high-affinity binding of AMA-metal complexes to NikA, the periplasmic substrate-binding protein of the Ni2+ uptake system. Structural examination of NikA in complex with Ni-AMA revealed that the coordination geometry of Ni-AMA mimics the native ligand, Ni-(L-His)2, providing a structural basis for binding AMA-metal complexes. Structure-activity relationship studies of AMA identified regions of the molecule that improve NikA affinity and offer potential routes for further developing this compound as an anti-virulence agent.


Asunto(s)
Proteínas Bacterianas , Níquel , Níquel/metabolismo , Níquel/química , Animales , Virulencia/efectos de los fármacos , Proteínas Bacterianas/metabolismo , Biopelículas/efectos de los fármacos , Zinc/metabolismo , Zinc/química , Mariposas Nocturnas/microbiología , Ureasa/metabolismo , Ureasa/antagonistas & inhibidores , Transporte Biológico
9.
Sci Rep ; 14(1): 10032, 2024 05 01.
Artículo en Inglés | MEDLINE | ID: mdl-38693156

RESUMEN

The primary objective of the present study was to produce metal complexes of H4DAP ligand (N,N'-((pyridine-2,6-diylbis(azanediyl))bis(carbonothioyl))dibenzamide) derived from 2,6-diaminopyridine and benzoyl isothiocyanate with either ML or M2L stoichiometry. There are three distinct coordination complexes obtained with the formulas [Co(H2DAP)]·H2O, [Ni2(H2DAP)Cl2(H2O)2]·H2O, and [Cu(H4DAP)Cl2]·3H2O. The confirmation of the structures of all derivatives was achieved through the utilization of several analytical techniques, including FT-IR, UV-Vis, NMR, GC-MS, PXRD, SEM, TEM analysis, and QM calculations. Aiming to analyze various noncovalent interactions, topological methods such as QTAIM, NCI, ELF, and LOL were performed. Furthermore, the capacity of metal-ligand binding was examined by fluorescence emission spectroscopy. An in vitro investigation showed that the viability of MDA-MB-231 and HepG-2 cells was lower when exposed to the manufactured Cu2+ complex, in comparison to the normal cis-platin medication. The compounds were further evaluated for their in vitro antibacterial activity. The Ni2+ complex has shown promising activity against all tested pathogens, comparable to the reference drugs Gentamycin and Ketoconazole. Furthermore, a computational docking investigation was conducted to further examine the orientation, interaction, and conformation of the recently created compounds on the active site of the Bcl-2 protein.


Asunto(s)
Cobalto , Complejos de Coordinación , Cobre , Isotiocianatos , Simulación del Acoplamiento Molecular , Níquel , Níquel/química , Cobre/química , Humanos , Isotiocianatos/química , Isotiocianatos/farmacología , Ligandos , Complejos de Coordinación/farmacología , Complejos de Coordinación/química , Complejos de Coordinación/síntesis química , Cobalto/química , Línea Celular Tumoral , Antibacterianos/farmacología , Antibacterianos/química , Antibacterianos/síntesis química , Antineoplásicos/farmacología , Antineoplásicos/química , Antineoplásicos/síntesis química
10.
PLoS One ; 19(5): e0302551, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38696475

RESUMEN

Recently developed Nickel-Titanium (NiTi) instruments with practical changes have resulted in safer instrumentation. In addition, topographical features on the file surface are a contributing factor to clinical durability. Therefore, this study aimed to investigate both the cyclic fatigue resistance and the roughness change of MTwo and Rotate instruments (VDW, Munich, Germany). Each instrument (n = 6/each group) was scanned with an atomic force microscopy prior to and after instrumentation. In addition, cyclic fatigue testing was conducted for each instrument (n = 11/each group) with stainless-steel blocks, including 45°-60°-90° degrees of curvature milled to the instruments' size. The roughness parameters increased for both systems after instrumentation (p<0.05). Both systems presented an increased roughness following instrumentation (p<0.05). The cyclic fatigue resistance was lowest at 90° for both systems (p<0.05), whereas the Rotate files presented a higher resistance than that of the Mtwo files (p<0.05). Compared to the Mtwo files, Rotate files presented better resistance, while the resistance decreased as the curvature increased.


Asunto(s)
Níquel , Propiedades de Superficie , Titanio , Titanio/química , Níquel/química , Microscopía de Fuerza Atómica , Ensayo de Materiales , Preparación del Conducto Radicular/instrumentación
11.
Anal Chim Acta ; 1306: 342613, 2024 Jun 01.
Artículo en Inglés | MEDLINE | ID: mdl-38692794

RESUMEN

Glucose detection is of significant importance in providing information to the human health management. However, conventional enzymatic glucose sensors suffer from a limited long-term stability due to the losing activity of the enzymes. In this work, the AuNi bimetallic aerogel with a well-defined nanowire network is synthesized and applied as the sensing nanomaterial in the non-enzymatic glucose detection. The three-dimensional (3D) hierarchical porous structure of the AuNi bimetallic aerogel ensures the high sensitivity of the sensor (40.34 µA mM-1 cm-2). Theoretical investigation unveiled the mechanism of the boosting electrocatalytic activity of the AuNi bimetallic aerogel toward glucose. A better adhesion between the sensing nanomaterial and the screen-printing electrodes (SPEs) is obtained after the introduction of Ni. On the basis of a wide linearity in the range of 0.1-5 mM, an excellent selectivity, an outstanding long-term stability (90 days) as well as the help of the signal processing circuit and an M5stack development board, the as-prepared glucose sensor successfully realizes remote monitoring of the glucose concentration. We speculate that this work is favorable to motivating the technological innovations of the non-enzymatic glucose sensors and intelligent sensing devices.


Asunto(s)
Técnicas Biosensibles , Técnicas Electroquímicas , Geles , Glucosa , Oro , Níquel , Técnicas Biosensibles/métodos , Níquel/química , Geles/química , Oro/química , Glucosa/análisis , Electrodos , Nanocables/química , Humanos , Límite de Detección
12.
BMC Oral Health ; 24(1): 558, 2024 May 13.
Artículo en Inglés | MEDLINE | ID: mdl-38741081

RESUMEN

BACKGROUND: We investigated the efficacy of two different cold atmospheric pressure jet plasma devices (CAP09 and CAPmed) and an air polishing device with glycine powder (AP) either applied as monotherapies or combined therapies (AP + CAP09; AP + CAPmed), in microbial biofilm removal from discs with anodised titanium surface. METHODS: Discs covered with 7-day-old microbial biofilm were treated either with CAP09, CAPmed, AP, AP + CAP09 or AP + CAPmed and compared with negative and positive controls. Biofilm removal was assessed with flourescence and electron microscopy immediately after treatment and after 5 days of reincubation of the treated discs. RESULTS: Treatment with CAP09 or CAPmed did not lead to an effective biofilm removal, whereas treatment with AP detached the complete biofilm, which however regrew to baseline magnitude after 5 days of reincubation. Both combination therapies (AP + CAP09 and AP + CAPmed) achieved a complete biofilm removal immediately after cleaning. However, biofilm regrew after 5 days on 50% of the discs treated with the combination therapy. CONCLUSION: AP treatment alone can remove gross biofilm immediately from anodised titanium surfaces. However, it did not impede regrowth after 5 days, because microorganisms were probably hidden in holes and troughs, from which they could regrow, and which were inaccessible to AP. The combination of AP and plasma treatment probably removed or inactivated microorganisms also from these hard to access spots. These results were independent of the choice of plasma device.


Asunto(s)
Biopelículas , Implantes Dentales , Gases em Plasma , Propiedades de Superficie , Titanio , Biopelículas/efectos de los fármacos , Titanio/química , Implantes Dentales/microbiología , Pulido Dental/métodos , Glicina , Humanos , Técnicas In Vitro , Microscopía Electrónica de Rastreo , Níquel
13.
Analyst ; 149(10): 2905-2914, 2024 May 13.
Artículo en Inglés | MEDLINE | ID: mdl-38572989

RESUMEN

High cost, inherent destabilization, and intricate fixing of enzyme molecules are the main drawbacks of enzyme-based creatinine sensors. The design of a low-cost, stabilizable, and enzyme-free creatinine sensing probe is essential to address these limitations. In this work, an integrated three-dimensional (3D) free-standing electrode was designed to serve as a non-enzymatic creatinine sensing platform and was fabricated by rapid electrodeposition of a dense copper nanoparticle film on nickel foam (Cu NP film/NF). This low-cost, stable, easy-to-fabricate, and binder-free Cu NP film/NF electrode has abundant active sites and excellent electrochemical performance. Cyclic voltammetry measurements show a wide linear range (0.25-24 mM), low detection limit (0.17 mM), and high sensitivity (306 µA mM-1 cm-2). The developed sensor shows high recovery of creatinine concentration in real urine. Besides, it has better specificity, reproducibility, and robustness in detecting creatinine. These excellent results suggest that a non-enzymatic creatinine sensor based on an integrated 3D free-standing Cu NP film/NF electrode has good potential for non-invasive detection of urinary creatinine.


Asunto(s)
Cobre , Creatinina , Electrodos , Galvanoplastia , Límite de Detección , Nanopartículas del Metal , Níquel , Cobre/química , Níquel/química , Creatinina/orina , Creatinina/química , Nanopartículas del Metal/química , Humanos , Técnicas Electroquímicas/métodos , Técnicas Electroquímicas/instrumentación , Reproducibilidad de los Resultados
14.
ACS Biomater Sci Eng ; 10(5): 2945-2955, 2024 May 13.
Artículo en Inglés | MEDLINE | ID: mdl-38669114

RESUMEN

Metal-coordination bonds, a highly tunable class of dynamic noncovalent interactions, are pivotal to the function of a variety of protein-based natural materials and have emerged as binding motifs to produce strong, tough, and self-healing bioinspired materials. While natural proteins use clusters of metal-coordination bonds, synthetic materials frequently employ individual bonds, resulting in mechanically weak materials. To overcome this current limitation, we rationally designed a series of elastin-like polypeptide templates with the capability of forming an increasing number of intermolecular histidine-Ni2+ metal-coordination bonds. Using single-molecule force spectroscopy and steered molecular dynamics simulations, we show that templates with three histidine residues exhibit heterogeneous rupture pathways, including the simultaneous rupture of at least two bonds with more-than-additive rupture forces. The methodology and insights developed improve our understanding of the molecular interactions that stabilize metal-coordinated proteins and provide a general route for the design of new strong, metal-coordinated materials with a broad spectrum of dissipative time scales.


Asunto(s)
Histidina , Simulación de Dinámica Molecular , Níquel , Histidina/química , Níquel/química , Elastina/química , Proteínas/química , Péptidos/química
15.
Chemosphere ; 357: 141849, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38599331

RESUMEN

Electrocatalytic destruction of per- and polyfluoroalkyl substances (PFAS) is an emerging approach for treatment of PFAS-contaminated water. In this study, a systematic ab initio investigation of PFAS adsorption on Ni, a widely used electrocatalyst, was conducted by means of dispersion-corrected Density Functional Theory (DFT) calculations. The objective of this investigation was to elucidate the adsorption characteristics and charge transfer mechanisms of different PFAS molecules on Ni surfaces. PFAS adsorption on three of the most thermodynamically favorable Ni surface facets, namely (001), (110), and (111), was investigated. Additionally, the role of PFAS chain length and functional group was studied by comparing the adsorption characteristics of different PFAS compounds, namely perfluorooctanesulfonic acid (PFOS), perfluorooctanoic acid (PFOA), perfluorobutanesulfonic acid (PFBS), and perfluorobutanoic acid (PFBA). For each PFAS molecule-Ni surface facet pair, different adsorption configurations were considered. Further calculations were carried out to reveal the effect of solvation, pre-adsorbed atomic hydrogen (H), and surface defects on the adsorption energy. Overall, the results revealed that the adsorption of PFAS on Ni surfaces is energetically favorable, and that the adsorption is primarily driven by the functional groups. The presence of preadsorbed H and the inclusion of solvation produced less exothermic adsorption energies, while surface vacancy defects showed mixed effects on PFAS adsorption. Taken together, the results of this study suggest that Ni is a promising electrocatalyst for PFAS adsorption and destruction, and that proper control for the exposed facets and surface defects could enhance the adsorption stability.


Asunto(s)
Caprilatos , Teoría Funcional de la Densidad , Fluorocarburos , Níquel , Adsorción , Fluorocarburos/química , Níquel/química , Caprilatos/química , Contaminantes Químicos del Agua/química , Ácidos Alcanesulfónicos/química , Termodinámica , Catálisis
16.
J Inorg Biochem ; 256: 112554, 2024 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-38613885

RESUMEN

Six terpyridine­nickel complexes 1-6 were formed by the coordination of 4'-(4-R-phenyl)-2,2':6',2″-terpyridine (R = hydroxyl (L1), methoxyl (L2), methylsulfonyl (L3), fluoro (L4), bromo (L5), iodo (L6)) derivatives to nickel nitrate. The compositions and structures of these complexes were analyzed by Fourier Transform infrared spectroscopy (FT-IR), elemental analyses, electrospray ionization mass spectra (ESI-MS), solid-state ultraviolet-visible (UV-Vis) spectroscopy, and single crystal X-ray diffraction (1, 2 and 4) studies. In vitro anticancer cell proliferation experiments against SiHa (human cervical squamous cancer cell line) cells, Bel-7402 (human hepatoma cancer cell line), Eca-109 (human esophageal cancer cell line) and HL-7702 (human normal hepatocyte cell line) indicate that they have more excellent anti-proliferation effects than the cis-platin against Siha cells, Bel-7402 cells and Eca-109 cells. Especially, complex 5 showed a rather outstanding inhibitory effect against the SiHa cell line and was less toxic than the other compounds to the HL-7702 cell line, implying an obvious specific inhibitory effect. Therefore, complex 5 has the potential value to be developed as an anticancer cell-specific drug against human cervical squamous carcinoma. Molecular docking simulation, UV-vis absorption spectroscopy and circular dichroism experiments show that they prefer to bind to DNA part in an embedded binding manner.


Asunto(s)
Antineoplásicos , Complejos de Coordinación , Níquel , Piridinas , Humanos , Níquel/química , Complejos de Coordinación/farmacología , Complejos de Coordinación/síntesis química , Complejos de Coordinación/química , Antineoplásicos/farmacología , Antineoplásicos/síntesis química , Antineoplásicos/química , Línea Celular Tumoral , Piridinas/química , Piridinas/farmacología , Proliferación Celular/efectos de los fármacos , Nitratos/química , Nitratos/farmacología , Cristalografía por Rayos X
17.
Chemosphere ; 357: 141894, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38615958

RESUMEN

Given the presence of emerging pollutants at low concentrations in water bodies, which are inevitably affected by background substances during the removal process. In this study, we synthesized molecularly imprinted catalysts (Cu/Ni-MOFs@MIP) based on bimetallic metal-organic frameworks for the targeted degradation of ciprofloxacin (CIP) in advanced oxidation processes (AOPs). The electrostatic interaction and functional group binding of CIP with specific recognition sites on Cu/Ni-MOFs@MIP produced excellent selective recognition (Qmax was 14.82 mg g-1), which enabled the active radicals to approach and remove the contaminants faster. Electron paramagnetic resonance (EPR) analysis and quenching experiments revealed the coexistence of ∙OH, SO42-, and 1O2, with ∙OH dominating the system. Based on experimental and theoretical calculations, the reaction sites of CIP were predicted and the possible degradation pathways and mechanisms of Cu/Ni-MOFs@MIP/PMS systems were proposed. This study opens up a new platform for the targeted removal of target pollutants in AOPs.


Asunto(s)
Ciprofloxacina , Estructuras Metalorgánicas , Sulfatos , Contaminantes Químicos del Agua , Ciprofloxacina/química , Estructuras Metalorgánicas/química , Catálisis , Contaminantes Químicos del Agua/química , Adsorción , Sulfatos/química , Impresión Molecular , Cobre/química , Oxidación-Reducción , Purificación del Agua/métodos , Níquel/química
18.
Chemosphere ; 357: 142047, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38621485

RESUMEN

Soil washing technology plays an important role in the removal of heavy metals, and the efficacy of this process depends on the washing agent used. Due to the difficulty in treating soils contaminated by multiple heavy metals, there is still a need for further exploration of efficient washing agents with low environmental impact. Although single washing agents, such as chelators, can also effectively remove heavy metals from soil, combining efficient washing agents and determining their optimal washing conditions can effectively improve their removal efficiency for multiple heavy metals in soil simultaneously. Based on the previous research, the present study was carried out to combine different types of washing agents to remediate contaminated soils at a commonly e-waste recycling site. The objectives were to investigate their efficient washing conditions and assess the impact of the washing process on the speciation distribution and pollution level associated with heavy metals in soil. The results showed that the combination of HEDP (1-hydroxyethylidene-1,1-diphosphonic acid) and FeCl3 at a ratio of 6:4 exhibited the most effective removal of Cd, Cu and Ni from the contaminated soil at an e-waste recycling site. Under optimal washing conditions, with a soil-to-liquid ratio of 1:20 and a washing time of 48 h, the removal rates of Cd, Cu and Ni were 96.72%, 69.91% and 76.08%, respectively. It needed to be emphasized that the combination washing agents were able to remove most of the acid-soluble, reducible and oxidizable fractions of heavy metals, and even the removal rates of the stable residual fraction (e.g., of Cd) was at a relatively high level. In addition, the washing process significantly reduced the pollution level associated with heavy metals in soil. This study aid in the development of combined efficient washing agents and explores optimal washing strategies for the remediation of Cd, Cu, and Ni-contaminated soil at e-waste recycling sites. The findings may play a role in enhancing the remediation capabilities for soils contaminated with multiple heavy metals, due to its characteristics of and high-efficiency and environmental friendliness.


Asunto(s)
Cadmio , Cobre , Residuos Electrónicos , Restauración y Remediación Ambiental , Metales Pesados , Níquel , Reciclaje , Contaminantes del Suelo , Suelo , Contaminantes del Suelo/análisis , Níquel/análisis , Níquel/química , Metales Pesados/análisis , Cadmio/análisis , Cobre/análisis , Cobre/química , Restauración y Remediación Ambiental/métodos , Suelo/química
19.
J Chromatogr A ; 1722: 464902, 2024 May 10.
Artículo en Inglés | MEDLINE | ID: mdl-38636150

RESUMEN

Although immobilized metal ion affinity chromatography (IMAC) is one of the most effective methods for purifying his-tagged proteins, it has limitations such as expensive commercial resins and non-specific binding of unwanted proteins to the nickel immobilized on the resin. In this study, biocompatible chitosan and porous chitosan membranes as alternative resins were synthesized for protein immobilization and purification, but finally porous chitosan membrane was selected due to its higher porosity and consequently higher nickel adsorption. Once the membrane was functionalized with nickel ions and its metal adsorption confirmed by EDS and ICP methods, it was used to immobilize and purify recombinant ß-NGF as a protein model with his-tag tail in batch-fashion. Protein binding and purification were also approved by FTIR and UV-Vis spectroscopy and SDS-PAGE technique. Our results indicated that the protein of interest could bind to the nickel-functionalized porous chitosan membrane with high efficiency at pH=7. Furthermore, for protein purification, the pH value of 6 and an imidazole concentration of 750 mM were suggested for the final elution buffer. In conclusion, nickel-functionalized porous chitosan membrane could be a suitable alternative to IMAC for low cost and specific protein immobilization and purification.


Asunto(s)
Quitosano , Cromatografía de Afinidad , Histidina , Membranas Artificiales , Níquel , Níquel/química , Quitosano/química , Cromatografía de Afinidad/métodos , Histidina/química , Porosidad , Adsorción , Proteínas Inmovilizadas/química , Concentración de Iones de Hidrógeno , Proteínas Recombinantes/química , Proteínas Recombinantes/aislamiento & purificación
20.
Sci Rep ; 14(1): 8920, 2024 04 18.
Artículo en Inglés | MEDLINE | ID: mdl-38637588

RESUMEN

Land transportation is a major source of heavy metal contamination along the roadside, posing significant risks to human health through inhalation, oral ingestion, and dermal contact. Therefore, this study has been designed to determine the concentrations of vehicular released heavy metals (Cd, Pb, Ni, and Cu) in roadside soil and leaves of two commonly growing native plant species (Calotropis procera and Nerium oleander).Two busy roads i.e., Lahore-Okara road (N-5) and Okara-Faisalabad roads (OFR) in Punjab, Pakistan, were selected for the study. The data were collected from five sites along each road during four seasons. Control samples were collected ~ 50 m away from road. The metal content i.e. lead (Pb), cadmium (Cd) nickel (Ni) and copper (Cu) were determined in the plant leaves and soil by using Atomic Absorption Spectrophotometer (AAS). Significantly high amount of all studied heavy metals were observed in soil and plant leaves along both roads in contrast to control ones. The mean concentration of metals in soil ranged as Cd (2.20-6.83 mg/kg), Pb (4.53-15.29 mg/kg), Ni (29.78-101.26 mg/kg), and Cu (61.68-138.46 mg/kg) and in plant leaves Cd (0.093-0.53 mg/kg), Pb (4.31-16.34 mg/kg), Ni (4.13-16.34 mg/kg) and Cu (2.98-32.74 mg/kg). Among roads, higher metal contamination was noted along N-5 road. Significant temporal variations were also noted in metal contamination along both roads. The order of metal contamination in soil and plant leaves in different seasons was summer > autumn > spring > winter. Furthermore, the metal accumulation potential of Calotropis procera was higher than that of Nerium oleander. Therefore, for sustainable management of metal contamination, the plantation of Calotropis procera is recommended along roadsides.


Asunto(s)
Calotropis , Metales Pesados , Nerium , Contaminantes del Suelo , Humanos , Cadmio/análisis , Suelo , Biodegradación Ambiental , Plomo , Contaminantes del Suelo/análisis , Metales Pesados/análisis , Níquel , Plantas , Monitoreo del Ambiente
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