Nanomaterials, Volume 9, Issue 3 (March 2019) – 173 articles

Magnesium batteries are a promising technology for a new generation of energy storage for portable devices. Attention should be paid to electrolyte and electrode material development in order to develop rechargeable Mg batteries. In this study, we report the use of the spinel lithium titanate or Li₄Ti₅O₁₂ (LTO) as an active electrode for Mg²⁺-ion batteries. The theoretical capacity of LTO is 175 mA h g⁻¹, which is equivalent to an insertion reaction with 1.5 Mg²⁺ ions. The ability to enhance the specific capacity of LTO is of practical importance. We have observed that it is possible to increase the capacity up to 290 mA h g⁻¹ in first discharge, which corresponds to the reaction with 2.5 Mg²⁺ ions. The addition of MgCl₂·6H₂O to the electrolyte solutions significantly improves their electrochemical performance and enables reversible Mg deposition. Ex-situ X-ray diffraction (XRD) patterns reveal little structural changes, while X-ray photoelectron spectrometer (XPS) (XPS) measurements suggest Mg reacts with LTO. The Ti³⁺/Ti⁴⁺ ratio increases with the amount of inserted magnesium. The impedance spectra show the presence of a semicircle at medium-low frequencies, ascribable to Mg²⁺ ion diffusion between the surface film and LTO. Further experimental improvements with exhaustive control of electrodes and electrolytes are necessary to develop the Mg battery with practical application. Full article

Among a variety of inorganic-based nanomaterials, mesoporous silica nanoparticles (MSNs) have several attractive features for application as a delivery system, due to their high surface areas, large pore volumes, uniform and tunable pore sizes, high mechanical stability, and a great diversity of surface functionalization options. We developed novel hybrid MSNs composed of a mesoporous silica nanostructure core and a pH-responsive polymer shell. The polymer shell was prepared by RAFT polymerization of 2-(diisopropylamino)ethyl methacrylate (pKa ~6.5), using a hybrid grafting approach. The hybrid nanoparticles have diameters of ca. 100 nm at pH < 6.5 and ca. 60 nm at pH > 6.5. An excellent control of cargo release is achieved by the combined effect of electrostatic interaction of the cargo with the charged silica and the extended cationic polymer chains at low pH, and the reduction of electrostatic attraction with a simultaneous collapse of the polymer chains to a globular conformation at higher pH. The system presents a very low (almost null) release rate at acidic pH values and a large release rate at basic pH, resulting from the squeezing-out effect of the coil-to-globule transition in the polymer shell. Full article

Although riboflavin (RF) belongs to the water-soluble vitamins of group B, its solubility is low. Therefore, the application of micro-formulations may help to overcome this limiting factor for the delivery of RF. In this study we immobilized RF in newly developed albumin submicron particles prepared using the Co-precipitation Crosslinking Dissolution technique (CCD-technique) of manganese chloride and sodium carbonate in the presence of human serum albumin (HSA) and RF. The resulting RF containing HSA particles (RF-HSA-MPs) showed a narrow size distribution in the range of 0.9 to 1 μm, uniform peanut-like morphology, and a zeta-potential of −15 mV. In vitro release studies represented biphasic release profiles of RF in a phosphate buffered saline (PBS) pH 7.4 and a cell culture medium (RPMI) 1640 medium over a prolonged period. Hemolysis, platelet activation, and phagocytosis assays revealed a good hemocompatibility of RF-HSA-MPs. Full article

Impurity doping is one of the common approaches to enhance the photoactivity of semiconductor nanomaterials by increasing photon-capture efficiency in the visible light range. However, many studies on the doping effects have produced inconclusive and conflicting results. There are some misleading assumptions and errors that are frequently made in the data interpretation, which can lead to inconsistent results about the doping effects on photocatalysis. One of them is the determination of the location of dopants. Even using advanced analytical techniques, it is still challenging to distinguish between bulk modification and surface modification. The paper provides a case study of transition-metal-doped ZnO nanoparticles, whereby demonstrating common pitfalls in the interpretation of the results of widely-used analytical methods in detail, and discussing the importance of using a combination of many characterization techniques to correctly determine the location of added impurities, for elucidating the influence of metal doping on the photocatalytic activities of semiconductor nanoparticles. Full article

The as-prepared co-doped N/Ag carbon dot (CD_NAg) has strong catalysis of H₂O₂ oxidation of 3,3′-dimethylbiphenyl-4,4′-diamine (DBD). It forms an oxidation product (DBD_ox) with surface-enhanced Raman scattering (SERS) activity at 1605 cm⁻¹ in the silver nanosol substrate, and a CD_NAg catalytic amplification with SERS analytical platform can be structured based on aptamer (Apt) with the DBD oxidizing reaction. For example, the aptamer (Apt) of acetamiprid (ACT) can be adsorbed on the surface of CD_NAg, resulting in inhibited catalytic activity, the reduced generation of DBD_ox, and a weakened SERS intensity. When the target molecule ACT was added, it formed a stable Apt-ACT complex and free CD_NAg that restored catalytic activity and linearly enhanced the SERS signal. Based on this, we proposed a new quantitative SERS analysis method for the determination of 0.01–1.5 μg ACT with a detection limit of 0.006 μg/L. Full article

Optical whispering-gallery-mode (WGM) microresonator-based sensors with high sensitivity and low detection limit down to single unlabeled biomolecules show high potential for disease diagnosis and clinical application. However, most WGM microresonator-based sensors, which are packed in a microfluidic cell, are a “closed” sensing configuration that prevents changing and sensing the surrounding liquid refractive index (RI) of the microresonator immediately. Here, we present an “open” sensing configuration in which the WGM microdisk laser is directly covered by a water droplet and pumped by a water-immersion-objective (WIO). This allows monitoring the chemical reaction progress in the water droplet by tracking the laser wavelength. A proof-of-concept demonstration of chemical sensor is performed by observing the process of salt dissolution in water and diffusion of two droplets with different RI. This WIO pumped sensing configuration provides a path towards an on-chip chemical sensor for studying chemical reaction kinetics in real time. Full article

The chemical modification, or functionalization, of the surfaces of nanomaterials is a key step to achieve biosensors with the best sensitivity and selectivity. The surface modification of biosensors usually comprises several modification steps that have to be optimized. Real-time monitoring of all the reactions taking place during such modification steps can be a highly helpful tool for optimization. In this work, we propose nanoporous anodic alumina (NAA) functionalized with the streptavidin-biotin complex as a platform towards label-free biosensors. Using reflective interferometric spectroscopy (RIfS), the streptavidin-biotin complex formation, using biotinylated thrombin as a molecule model, was monitored in real-time. The study compared the performance of different NAA pore sizes in order to achieve the highest response. Furthermore, the optimal streptavidin concentration that enabled the efficient detection of the biotinylated thrombin attachment was estimated. Finally, the ability of the NAA-RIfS system to quantify the concentration of biotinylated thrombin was evaluated. This study provides an optimized characterization method to monitor the chemical reactions that take place during the biotinylated molecules attachment within the NAA pores. Full article

The contact conductance of single, double, and triple thermal contacts of single-walled carbon nanotubes (SWCNTs) was investigated using molecular dynamics simulations. Our results showed that the effect of the thermal contact number on the contact conductance was not as strong as previously reported. The percentages of contact conductance of double and triple thermal contacts were about 72% and 67%, respectively, compared to that of a single thermal contact. Moreover, we found that the contact conductance of the double and triple thermal contacts was associated with the SWCNT length and the positional relationship of the thermal contacts. Full article

Tantalum oxynitride thin films have been deposited by reactive magnetron sputtering, using a fixed proportion reactive gas mixture (85% N₂ + 15% O₂). To produce the films, the partial pressure of the mixture in the working atmosphere was varied. The characteristics of the produced films were analyzed from three main perspectives and correspondent correlations: the study of the bonding states in the films, the efficiency of photo-degradation, and the antibacterial/antibiofilm capacity of the coatings against Salmonella. X-ray Photoelectron Spectroscopy results suggest that nitride and oxynitride features agree with a constant behavior relative to the tantalum chemistry. The coatings deposited with a higher reactive gas mixture partial pressure exhibit a significantly better antibiofilm capacity. Favorable antibacterial resistance was correlated with the presence of dominant oxynitride contributions. The photocatalytic ability of the deposited films was assessed by measuring the level of degradation of an aqueous solution containing methyl orange, with or without the addition of H₂O₂, under UV or VIS irradiation. Degradation efficiencies as high as 82% have been obtained, suggesting that tantalum oxynitride films, obtained in certain configurations, are promising materials for the photodegradation of organic pollutants (dyes). Full article

Pleurotus ostreatus is a well-known edible mushroom species which shows fast growth. The fungus can be used for medical, nutritional, filter, or packaging purposes. In this study, cultivation experiments were carried out with Pleurotus ostreatus growing on polyacrylonitrile (PAN) nanofiber mats in the presence of saccharose and Lutrol F68. The aim of this study was to find out whether modified PAN nanofiber mats are well suited for the growth of fungal mycelium, to increase growth rates and to affect mycelium fiber morphologies. Our results show that Pleurotus ostreatus mycelium grows on nanofiber mats in different morphologies, depending on the specific substrate, and can be used to produce a composite from fungal mycelium and nanofiber mats for biomedical and biotechnological applications. Full article

Drug delivery systems have opened new avenues to improve the therapeutic effects of already-efficient molecules. Particularly, Solid Lipid Nanoparticles (SLNs) have emerged as promising nanocarriers in cancer therapy. SLNs offer remarkable advantages such as low toxicity, high bioavailability of drugs, versatility of incorporation of hydrophilic and lipophilic drugs, and feasibility of large-scale production. Their molecular structure is crucial to obtain high quality SLN preparations and it is determined by the relationship between the composition and preparation method. Additionally, SLNs allow overcoming several physiological barriers that hinder drug delivery to tumors and are also able to escape multidrug resistance mechanisms, characteristic of cancer cells. Focusing on cell delivery, SLNs can improve drug delivery to target cells by different mechanisms, such as passive mechanisms that take advantage of the tumor microenvironment, active mechanisms by surface modification of SLNs, and codelivery mechanisms. SLNs can incorporate many different drugs and have proven to be effective in different types of tumors (i.e., breast, lung, colon, liver, and brain), corroborating their potential. Finally, it has to be taken into account that there are still some challenges to face in the application of SLNs in anticancer treatments but their possibilities seem to be high. Full article

A method to synthesize high-density, vertically-aligned, multi-wall carbon nanotubes (MWCNTs) on an insulating substrate at low temperature using a complementary metal–oxide–semiconductor (CMOS) compatible process is presented. Two factors are identified to be important in the carbon nanotube (CNT) growth, which are the catalyst design and the substrate material. By using a Ni–Al–Ni multilayer catalyst film and a ZrO₂ substrate, vertically-aligned CNTs can be synthesized at 340 °C using plasma-enhanced chemical vapor deposition (PECVD). Both the quality and density of the CNTs can be enhanced by increasing the synthesis temperature. The function of the aluminum interlayer in reducing the activation energy of the CNT formation is studied. The nanoparticle sintering and quick accumulation of amorphous carbon covering the catalyst can prematurely stop CNT synthesis. Both effects can be suppressed by using a substrate with a high surface energy such as ZrO₂. Full article

The use of zinc oxide nanoparticles (ZnO NPs) and polybrominated diphenyl ethers (PBDPEs) in different products and applications leads to the likelihood of their co-occurrence in the aquatic system, making it important to study the effect of PBDPEs on the fate and transport of ZnO NPs. In this study, we determine the influence of PBDPEs (BDPE-47 and BDPE-209) on the colloidal stability and physicochemical properties of ZnO NPs in different aqueous matrices. The results indicated the shift in ζ potential of ZnO NP from positive to negative in the presence of both PBDPEs in all tested waters; however, the effect on the NPs surface potential was specific to each water considered. The lower concentration of the PBDPEs (e.g., 0.5 mg/L) significantly reduced the ζ potential and hydrodynamic diameter (HDD) of ZnO NP, even in the presence of high content of dissolved organic matter (DOM) in both freshwater and industrial wastewater. Moreover, both BDPE-47 and BDPE-209 impede the agglomeration of ZnO NP in simple and natural media, even in the presence of monovalent and polyvalent cations. However, the effect of BDPE-47 on the ζ potential, HDD, and agglomeration of ZnO NP was more pronounced than that of BDPE-209 in all tested waters. The results of Fourier transform infrared (FT-IR) and X-ray Photon Spectroscopy (XPS) further confirm the adsorption of PBDPEs onto ZnO NP surface via aromatic ether groups and Br elements. The findings of this study will facilitate a better understanding of the interaction behavior between the ZnO NPs and PBDPEs, which can reduce the exposure risk of aquatic organisms to both pollutants. Full article

In this article, we report on an efficient post-treatment protocol for the manufacturing of pristine single-walled carbon nanotube (SWCNT) films. To produce an ink for the deposition, the SWCNTs are dispersed in an aqueous solution with the aid of a carboxymethyl cellulose (CMC) derivative as the dispersing agent. On the basis of this SWCNT-ink, ultra-thin and uniform films are then fabricated by spray-deposition using a commercial and fully automated robot. By means of X-ray photoelectron spectroscopy (XPS), Fourier-transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM), we show that the CMC matrix covering the CNTs can be fully removed by an immersion treatment in HNO₃ followed by thermal annealing at a moderate temperature of 100 °C, in the ambient air. We propose that the presented protocols for the ink preparation and the post-deposition treatments can in future serve as a facile and efficient platform for the fabrication of high-quality and residual-free SWCNT films. The purity of SWCNT films is of particular importance for sensing applications, where residual-induced doping and dedoping processes distort the contributions from the sensing specimen. To study the usability of the presented films for practical applications, gas sensors are fabricated and characterized with the CNT-films as the sensing material, screen printed silver-based films for the interdigitated electrode (IDE) structure, and polyimide as a flexible and robust substrate. The sensors show a high and stable response of 11% to an ammonia (NH₃) test gas, at a concentration of 10 ppm. Full article

We control the nanoscale gaps on silver island films by different processing methods and investigate the surface-enhanced Raman scattering (SERS) efficiency on the films. We propose a facile technique to control the film morphology by substrate bending while keeping the evaporation rate constant. The films developed by our new method are compared to the films developed by traditional methods at various evaporation rates. The SERS signals generated on the samples prepared by the new method have similar strengths as the traditional methods. Substrate bending allows us to reduce the gap sizes while using a higher evaporation rate, hence the film can be developed in a shorter time. This cost-effective and time-efficient method is suitable for the mass production of large-area SERS sensors with good sensitivity. Scanning electron microscope images are analyzed to quantify the gap densities and widths to elucidate the relationship between the film morphology and the SERS intensity. While the gap size appears to be the major factor influencing the enhancement, the shape of the nano-island also seems to influence the SERS efficiency. Full article

WS₂ is considered as a potential anode material for lithium ion batteries (LIBs) with superior theoretical capacity and stable structure with two-dimensional which facilitates to the transportation and storage of lithium ion. Nevertheless, the commercial recognition of WS₂ has been impeded by the intrinsic properties of WS₂, including poor electrical conductivity and large volume expansion. Herein, a seaweed-liked WS₂/reduced graphene oxide (rGO) composites has been fabricated through a procedure involving the self-assembling of WO₄²⁻, hexadecyl trimethyl ammonium ion with graphene oxide (GO) and the subsequent thermal treatment. The WS₂/rGO nanocomposite exhibited the outstanding electrochemical property with a stable and remarkable capacity (507.7 mAh·g⁻¹) at 1.0 A·g⁻¹ even after 1000 cycles. This advanced electrochemical property is due to its seaweed-liked feature which can bring in plentiful active sites, ameliorate the stresses arisen from volume variations and increase charge transfer rate. Full article

The compact integration of semiconductor TiO₂ nanoparticles (NPs) into the 3D crossed region of stacked plasmonic Ag nanowires (NWs) enhanced the photocatalytic activities through synergistic effects between the strong localized surface plasmon resonance (LSPR) excitation at the 3D cross-points of the Ag NWs and the efficient hot electron transfer at the interface between the Ag NWs and the TiO₂ NPs. This paper explored new hybrid nanostructures based on the selective assembly of TiO₂ NPs onto 3D cross-points of vertically stacked Ag NWs. The assembled TiO₂ NPs directly contacted the 3D Ag NWs; therefore, charge separation occurred efficiently at the interface between the Ag NWs and the TiO₂ NPs. The composite nanomaterials exhibited high extinction across the ultraviolet-visible range, rendering the nanomaterials high-performance photocatalysts across the full (ultraviolet-visible) and the visible spectral regions. Theoretical simulations clearly revealed that the local plasmonic field was highly enhanced at the 3D crossed regions of the vertically stacked Ag NWs. A Raman spectroscopic analysis of probe dye molecules under photodegradation conditions clearly revealed that the nanogap in the 3D crossed region was crucial for facilitating plasmon-enhanced photocatalysis and plasmon-enhanced spectroscopy. Full article

The Monte Carlo and molecular dynamics simulations are employed to screen the separation performance of 6013 computation-ready, experimental metal–organic framework membranes (CoRE-MOFMs) for 15 binary gas mixtures. After the univariate analysis, principal component analysis is used to reduce 44 performance metrics of 15 mixtures to a 10-dimension set. Then, four machine learning algorithms (decision tree, random forest, support vector machine, and back propagation neural network) are combined with k times repeated k-fold cross-validation to predict and analyze the relationships between six structural feature descriptors and 10 principal components. Based on the linear correlation value R and the root mean square error predicted by the machine learning algorithm, the random forest algorithm is the most suitable for the prediction of the separation performance of CoRE-MOFMs. One descriptor, pore limiting diameter, possesses the highest weight importance for each principal component index. Finally, the 30 best CoRE-MOFMs for each binary gas mixture are screened out. The high-throughput computational screening and the microanalysis of high-dimensional performance metrics can provide guidance for experimental research through the relationships between the multi-structure variables and multi-performance variables. Full article

The concept of synergistic effects has been widely applied in many scientific fields such as in biomedical science and material chemistry, and has further attracted interest in the fields of both synthesis and application of nanomaterials. In this paper, we report the synthesis of long-wavelength emitting silicon quantum dots based on a one-step hydrothermal route with catechol (CC) and sodium citrate (Na-citrate) as a reducing agent pair, and N-[3-(trimethoxysilyl)propyl]ethylenediamine (DAMO) as silicon source. By controlling the reaction time, yellow-emitting silicon quantum dots and green-emitting silicon quantum dots were synthesized with quantum yields (QYs) of 29.4% and 38.3% respectively. The as-prepared silicon quantum dots were characterized by fluorescence (PL) spectrum, UV–visible spectrum, high resolution transmission electron microscope (HRTEM), Fourier transform infrared (FT-IR) spectrometry energy dispersive spectroscopy (EDS), and Zeta potential. With the aid of these methods, this paper further discussed how the optical performance and surface characteristics of the prepared quantum dots (QDs) influence the fluorescence mechanism. Meanwhile, the cell toxicity of the silicon quantum dots was tested by the 3-(4,5-dimethylthiazolyl-2)-2,5-diphenyltetrazolium (MTT) bromide method, and its potential as a fluorescence ink explored. The silicon quantum dots exhibit a red-shift phenomenon in their fluorescence peak due to the participation of the carbonyl group during the synthesis. The high-efficiency and stable photoluminescence of the long-wavelength emitting silicon quantum dots prepared through a synergistic effect is of great value in their future application as novel optical materials in bioimaging, LED, and materials detection. Full article

Semiconductor nanocrystals or quantum dots (QDs) have unique optical and physical properties that make them potential imaging tools in biological and medical applications. However, concerns over the aqueous dispersivity, toxicity to cells, and stability in biological environments may limit the use of QDs in such applications. Here, we report an investigation into the cytotoxicity of aqueously dispersed CdSe(S) and CdSe(S)/ZnO core/shell QDs in the presence of human colorectal carcinoma cells (HCT-116) and a human skin fibroblast cell line (WS1). The cytotoxicity of the precursor solutions used in the synthesis of the CdSe(S) QDs was also determined in the presence of HCT-116 cells. CdSe(S) QDs were found to have a low toxicity at concentrations up to 100 µg/mL, with a decreased cell viability at higher concentrations, indicating a highly dose-dependent response. Meanwhile, CdSe(S)/ZnO core/shell QDs exhibited lower toxicity than uncoated QDs at higher concentrations. Confocal microscopy images of HCT-116 cells after incubation with CdSe(S) and CdSe(S)/ZnO QDs showed that the cells were stable in aqueous concentrations of 100 µg of QDs per mL, with no sign of cell necrosis, confirming the cytotoxicity data. Full article

Solid lipid nanoparticles (SLN) present low toxicity, versatility to incorporate both lipophilic and hydrophilic drugs, controlled drug release and they are easy to scale-up. It is well known that the endocytosis pathway by which SLN are taken up and the subsequent subcellular distribution are crucial for the biological effect of the incorporated drug. In addition, interactions between SLN and cells depend on many factors, such as, the composition of nanoparticle surface. In this work different amounts of phosphatidylethanolamine polyethylene glycol (PE–PEG) were added to SLN composed of stearic acid, Epikuron 200 and sodium taurodeoxycholate. Characterization of obtained nanoparticle suspensions were performed by the analysis of particle size, polydispersity index, ζ-potential, cell toxicity and cell internalization pathway. We have observed that the presence of PE–PEG improves active cell internalization of the nanoparticles in an oral adenocarcinoma cell line, reducing non-specific internalization mechanisms. Finally, we have tested the effect of surface coating on the efficiency of incorporated drugs using all-trans retinoic acid as a model drug. We have observed that delivery of this drug into PE–PEG coated SLN increases its chemotoxic effect compared to non-coated SLN. Therefore, it can be concluded that surface modification with PE–PEG improves the efficiency and the specificity of the SLN-loaded drug. Full article

In this study, we prepared cubic-phase oleic-acid-coated KMnF₃: Yb³⁺,Er³⁺ nanoparticles (NPs) and NaYF₄:Yb³⁺,Er³⁺ NPs, which were about 23 nm. From the down-shifting emissions spectra of the two NPs obtained by 980 nm excitation, we observed the fact that the KMnF₃: 18%Yb³⁺,1%Er³⁺ NPs were a luminescent material with a broadband near-infrared emission of 1.5 μm, and full-width at half-maximum (FWHM) of 55 cm⁻¹, which was wider than that of the NaYF₄: 18%Yb³⁺,1% NPs. Therefore, we believe that the oleic-acid-coated KMnF₃:Yb³⁺,Er³⁺ NPs have great potential in fabricating broadband waveguide amplifiers. Through epitaxial growth of a KMnF₃: Yb³⁺ active-shell on the core NPs, we compounded KMnF₃:Yb³⁺,Er³⁺@KMnF₃:Yb³⁺ core-active-shell NPs whose 1.5-μm infrared emissions intensity was 3.4 times as strong as that of the core NPs. In addition, we manufactured waveguide amplifiers using KMnF₃:18%Yb³⁺,1%Er³⁺@KMnF₃:2%Yb³⁺ NPs as the core materials of the waveguide amplifiers. When the input signal power was 0.2 mW and the pump power was 200 mW, we achieved a relative gain of 0.6 dB at 1534 nm in a 10-mm long waveguide. Full article

Electrospun fibers have emerged as promising materials in the field of biomedicine, due to their superior physical and cell supportive properties. In particular, electrospun mats are being developed for advanced wound dressing applications. Such applications require the firers to possess excellent antimicrobial properties in order to inhibit potential microbial colonization from resident and non-resident bacteria. In this study, we have developed Poly-ε-Caprolactone /gelatin hybrid composite mats loaded with natural herbal extract (Gymnema sylvestre) to prevent bacterial colonization. As-spun scaffolds exhibited good wettability and desirable mechanical properties retaining their fibrous structure after immersing them in phosphate buffered saline (pH 7.2) for up to 30 days. The initial burst release of Gymnema sylvestre prevented the colonization of bacteria as confirmed by the radial disc diffusion assay. Furthermore, the electrospun mats promoted cellular attachment, spreading and proliferation of human primary dermal fibroblasts and cultured keratinocytes, which are crucial parenchymal cell-types involved in the skin recovery process. Overall these results demonstrated the utility of Gymnema sylvestre impregnated electrospun PCL/Gelatin nanofibrous mats as an effective antimicrobial wound dressing. Full article

In recent years, high-entropy alloys have been proposed as potential hydrogen storage materials. Despite a number of experimental efforts, there is a lack of theoretical understanding regarding the hydrogen absorption behavior of high-entropy alloys. In this work, the hydrogen storage properties of a new TiZrHfScMo high-entropy alloy are investigated. This material is synthesized successfully, and its structure is characterized as body-centered cubic. Based on density functional theory, the lattice constant, formation enthalpy, binding energy, and electronic properties of hydrogenated TiZrHfScMo are all calculated. The calculations reveal that the process of hydrogenation is an exothermic process, and the bonding between the hydrogen and metal elements are of covalent character. In the hydrogenated TiZrHfScMo, the Ti and Sc atoms lose electrons and Mo atoms gain electrons. As the H content increases, the <Ti–H> bonding is weakened, and the <Hf–H> and <Mo–H> bonding are strengthened. Our calculations demonstrate that the TiZrHfScMo high-entropy alloy is a promising hydrogen storage material, and different alloy elements play different roles in the hydrogen absorption process. Full article

A facile and scalable two-step method (including pyrolysis and magnetron sputtering) is created to prepare a core–shell structured composite consisting of cotton-derived carbon fibers (CDCFs) and nano-copper. Excellent hydrophobicity (water contact angle = 144°) and outstanding antibacterial activity against Escherichia coli and Staphylococcus aureus (antibacterial ratios of >92%) are achieved for the composite owing to the composition transformation from cellulose to carbon and nano-size effects as well as strong oxidizing ability of oxygen reactive radicals from interactions of nano-Cu with sulfhydryl groups of enzymes. Moreover, the core–shell material with high electrical conductivity induces the interfacial polarization loss and conduction loss, contributing to a high electromagnetic interference (EMI) shielding effectiveness of 29.3 dB. Consequently, this flexible and multi-purpose hybrid of nano-copper/CDCFs may be useful for numerous applications like self-cleaning wall cladding, EMI shielding layer and antibacterial products. Full article

Cholic acid-conjugated methylcellulose-polyethylenimines (MCPEI-CAs) were synthesized and characterized for drug delivery systems. Their synthesis was confirmed by ¹H NMR and FT-IR analysis. Induced circular dichroism result with Congo red showed that methylcellulose (MC) and polyethylenimine-grafted cationic derivative (MC-PEI) would have helical conformation and random coil structure, respectively. It was found that MCPEI-CAs could form positively charged (>30 mV Zeta-potential) and spherical nano-aggregates (~250 nm Z-average size) by hydrophobic interaction of CA moieties. Critical aggregation concentration of MCPEI-CA₁₀ was measured as 7.2 × 10⁻³ mg/mL. MCPEI-CA₁₀ could encapsulate the anticancer drug doxorubicin (Dox) with 58.0% of drug loading content and 23.2% of drug loading efficiency and its release was facilitated in acidic condition. Cytotoxicity of MCPEI-CAs was increased with the increase of cholic acid (CA) graft degrees, probably due to the cellular membrane disruption by interaction with specific molecular structure of amphiphilic MCPEI-CA nano-aggregates. MCPEI-CA₁₀/Dox nano-aggregates showed concentration-dependent anticancer activity, which could overcome the multidrug resistance of cancer cells. In this work, molecular conformation change of MC derivatives by chemical modification and a potential of MCPEI-CA₁₀/Dox nano-aggregates for drug delivery systems were revealed. Full article

Novel, multipurpose terpolymers based on styrene (PS), tert-butyl methacrylate (tBMA) and glycidyl methacrylate (GMA), have been synthesized via Atom Transfer Radical Polymerization (ATRP). Post-synthetic modification with 1-pyrenemethylamine (AMP) allows non-covalent functionalization of carbon nanotubes, eventually yielding a conductive nanocomposite materials capable of interacting with different Volatile Organic Compounds (VOCs) by electrical resistance variation upon exposure. Moreover, facile hydrolysis of the tBMA group yields polyelectrolytic macrosurfactants with remarkable thickening properties for promising applications in water solution, such as Enhanced Oil Recovery (EOR). Full article

Thiolate-protected metal nanoclusters have highly size- and structure-dependent physicochemical properties and are a promising class of nanomaterials. As a consequence, for the rationalization of their synthesis and for the design of new clusters with tailored properties, a precise characterization of their composition and structure at the atomic level is required. We report a combined ion mobility-mass spectrometry approach with density functional theory (DFT) calculations for determination of the structural and optical properties of ultra-small gold nanoclusters protected by thioglycolic acid (TGA) as ligand molecules, Au₁₀(TGA)₁₀. Collision cross-section (CCS) measurements are reported for two charge states. DFT optimized geometrical structures are used to compute CCSs. The comparison of the experimentally- and theoretically-determined CCSs allows concluding that such nanoclusters have catenane structures. Full article

Here we present a facile and efficient method of controlled embedding of inorganic nanoparticles into an ultra-thin (<15 nm) and flat (~1.0 nm) polymeric coating that prevents unwanted aggregation. Hybrid polymer brushes-based films were obtained by simultaneous incorporation of superparamagnetic iron oxide nanoparticles (SPIONs) with diameters of 8–10 nm into a polycationic macromolecular matrix during the surface initiated atom transfer radical polymerization (SI-ATRP) reaction in an ultrasonic reactor. The proposed structures characterized with homogeneous distribution of separated nanoparticles that maintain nanometric thickness and strong magnetic properties are a good alternative for commonly used layers of crosslinked nanoparticles aggregates or bulk structures. Obtained coatings were characterized using atomic force microscopy (AFM) working in the magnetic mode, secondary ion mass spectrometry (SIMS), and X-ray photoelectron spectroscopy (XPS). Full article

In order to avoid using toxic or harmful operational conditions, shorten synthesis time, enhance adsorption capacity, and reduce operational cost, a novel magnetic nano-adsorbent of CoFe₂O₄@SiO₂ with core–shell structure was successfully functionalized with polypyrrole (Ppy). The physical and chemical properties of CoFe₂O₄@SiO₂-Ppy are examined by various means. The as-prepared CoFe₂O₄@SiO₂-Ppy nanomaterial was used to adsorb Hg²⁺ from water. During the process, some key effect factors were studied. The adsorption process of Hg²⁺ onto CoFe₂O₄@SiO₂-Ppy was consistent with the pseudo-second-order kinetic and Langmuir models. The Langmuir capacity reached 680.2 mg/g, exceeding those of many adsorbents. The as-prepared material had excellent regeneration ability, dispersibility, and stability. The fitting of kinetics, isotherms, and thermodynamics indicated the removal was endothermic and spontaneous, and involved some chemical reactions. The application evaluation of electroplating wastewater also shows that CoFe₂O₄@SiO₂-Ppy is an excellent adsorbent for Hg²⁺ ions from water. Full article