Search Results (286)

Nitrite is a health and environmental hazard and pollutes water sources globally, but sensitive, rapid, and facile quantification methods are lacking. Herein, we report a method for extracting and quantifying low-concentration nitrite in surface water using minimal sample and solvent volumes. The nitrite reacted with sulfanilamide and N-1-naphthylethylenediammonium dichloride (NED), yielding an azo dye for extraction into an organic ion-associate liquid phase (IALP) formed in situ using ethylhexyloxypropylammonium and dodecyl sulfate ions. The addition of sodium acetate increased the pH, decreasing the cation charge from +2 to +1, improving extraction efficiency. Further, adding NaCl doubled the IALP volume, reduced the required standing time, and minimally affected absorbance, and adding concentrated HCl to the IALP enhanced the absorbance intensity via dye protonation. Crucially, the method achieved a 30-fold concentration factor compared to traditional pre-treatment methods, even without centrifugation, as well as a limit of detection of 0.09 µg NO₂-N/L. Spiked recovery tests with river and seawater samples (93–103%) matched those of established methods. Digital imaging of IALP-extracted lake water yielded a limit of detection of 0.4 µg NO₂-N/L. The method is a sensitive, efficient approach for nitrite detection, enabling rapid environmental monitoring via spectrophotometry and digital imaging. Full article

Developing stable and effective catalysts for the hydrogen evolution reaction (HER) has been a long-standing pursuit. In this work, we propose a series of single-atom catalysts (SACs) by importing transition-metal atoms into the carbon and vanadium vacancies of tetragonal V₂C₂ and V₃C₃ slabs, where the transition-metal atoms refer to Ti, V, Cr, Mn, Fe, Co, Ni, and Cu. By means of first-principles computations, the possibility of applying these SACs in HER catalysis was investigated. All the SACs are conductive, which is favorable to charge transfer during HER. The Gibbs free energy change (ΔG_H*) during hydrogen adsorption was adopted to assess their catalytic ability. For the V₂C₂-based SACs with V, Cr, Mn, Fe, Ni, and Cu located at the carbon vacancy, excellent HER catalytic performance was achieved, with a |ΔG_H*| smaller than 0.2 eV. Among the V₃C₃-based SACs, apart from the SAC with Mn located at the carbon vacancy, all the SACs can act as outstanding HER catalysts. According to the ΔG_H*, these excellent V₂C₂- and V₃C₃-based SACs are comparable to the best-known Pt-based HER catalysts. However, it should be noted that the V₂C₂ and V₃C₃ slabs have not been successfully synthesized in the laboratory, leading to a pure investigation without practical application in this work. Full article

Hydrogen plays a vital role in the global shift toward cleaner energy solutions, with water electrolysis standing out as one of the most promising techniques for generating hydrogen. Despite its potential, the oxygen evolution reaction (OER) involved in this process faces significant challenges, including high overpotentials and slow reaction rates, which underscore the need for advanced electrocatalytic materials to enhance efficiency. Noble metal catalysts are effective but expensive, so transition-metal-based electrocatalysts like nickel–cobalt layered double hydroxides (NiCo LDHs) have become promising alternatives. In this research, a series of NiCo LDH catalysts doped with Fe, Mn, Cu, and Zn were effectively produced using a one-step hydrothermal technique. Among the catalysts, the Fe-doped NiCo LDH exhibited OER activity, achieving a lower overpotential (289 mV) at a current density of 50 mA/cm², which was far better than the 450 mV of the undoped NiCo LDH. The Mn-, Cu-, and Zn-NiCo LDHs also exhibited lower overpotentials of 414 mV, 403 mV, and 357 mV, respectively, at this current density. The Fe-doped NiCo LDH had a 3D layered nanoflower structure, increasing the surface area for reactant adsorption. The electrochemically active surface area (ECSA), as indicated by the double-layer capacitance (C_dl), was larger in the doped samples. The C_dl value of the Fe-doped NiCo LDH was 3.72 mF/cm², significantly surpassing the 0.82 mF/cm² of the undoped NiCo LDH. These changes improved charge transfer and optimized reaction kinetics, enhancing the overall OER performance. This study offers significant contributions to the development of efficient electrocatalysts for the OER, advancing the understanding of key design principles for enhanced catalytic performance. Full article

Smart pavement is composed of a monitor network, communication network, data center, and energy supply system, and it requires reliable and efficient energy sources to power sensors and devices. The mechanical energy is wasted and dissipated as heat in traditional pavement; this energy can be reused to power low-power devices and sensors for smart pavement. Mechanical energy harvesting systems typically perform through electromagnetic, piezoelectric, and triboelectric methods. Among the different methods, electromagnetic harvesters stand out for their higher output power. However, current electromagnetic harvesters face challenges such as bulky designs, low power density, and high input displacement requirements. This study proposed a green electromagnetic harvester (GEH) based on up-frequency and a unidirectional rotation mechanism to harvest mechanical energy from the pavement. A prototype was designed and prepared. The influence of different parameters on the electrical performance of the harvester was studied by using an MTS test instrument and simulation methods. The results demonstrate that increasing the frequency and optimizing the magnetic array significantly enhances electrical output. The open-circuit voltage in the N-S mode is 3.1 times higher than that in the N-N mode. At a frequency of 9 Hz and a displacement of 3.0 mm, the open-circuit voltage of the GEH is 6.73 V, the maximum power output is 171.14 mW, the peak power density is 1277.16 W/m³, and the voltage has almost no decay after 100,000 cycles. Further, the application of the GEH in charging sensors and capacitors was demonstrated, which indicates the potential of a GEH to power sensors for smart roads. Full article

Electric road systems (ERSs) are a promising solution for electrifying heavy-duty freight transport by providing traction and charging power from the power lines installed along the road. Development of ERSs has been accelerated in the last decade, and several pilot projects have been successfully implemented, proving the high level of maturity that the technology has achieved. One crucial step that could be initiated before a rollout is the standardization and certification of ERS infrastructure and system components. For instance, pantographs for overhead ERSs face unique challenges, in that the power transfer should be safe and reliable in the presence of dynamic longitudinal and lateral movements of the vehicle. To tackle this problem, we outline the requirements for overhead ERSs and ERS pantograph testing. Among the key requirements are the rising and lowering times, response to lateral maneuvers, such as lane changes, and high electrical current during stillstand. We introduce our developed test stands capable of testing various aspects of an ERS pantograph. The lateral test stand was developed to test basic functionalities and simulate lateral movements. A second test stand was implemented, to test high currents and the subsequent temperature development. Furthermore, a digital test stand used for planning, design, and modeling is introduced. Full article

Space particle radiation induces charging and discharging phenomena in spacecraft dielectric materials, leading to electrostatic discharge (ESD) and electromagnetic pulses (EMP), which pose significant risks to spacecraft electronic systems by causing interference and potential damage. Accurate and timely monitoring of these phenomena, combined with a comprehensive understanding of their underlying mechanisms, is critical for developing effective protection strategies against satellite charging effects. Addressing in-orbit monitoring requirements, this study proposes the design of a compact sleeve monopole antenna. Through simulations, the relationships between the antenna’s design parameters and its voltage standing wave ratio (VSWR) are analyzed alongside its critical performance characteristics, including frequency band, gain, radiation pattern, and matching circuit. The proposed antenna demonstrates operation within a frequency range of (28.73–31.25) MHz (VSWR < 2), with a center frequency of 30 MHz and a relative bandwidth of 8.4%. Performance evaluations and simulation-based experiments reveal that the antenna can measure pulse signals with electric field strengths ranging from (−1000 to −80) V/m and (80 to 1000) V/m, centered at 25.47 MHz. It reliably monitors discharge pulses generated by electron irradiation on spacecraft-grade FR4 (Flame-Retardant 4) dielectric materials, providing technical support for the engineering application of discharge research in space environments. Full article

As a prominent next-generation anode material for high-capacity applications, silicon stands out due to its potential. Crystalline silicon, which offers a higher initial capacity compared to its amorphous counterpart, presents challenges in practical applications due to its poor cycling performance. In this study, we prepared composites of crystalline and amorphous silicon with graphite, assembled pouch-type full cells, and evaluated their suitability for practical use. The material incorporating amorphous silicon demonstrated superior performance at both high and low rates, as well as various temperatures. Additionally, the changes in cell thickness during charge and discharge, i.e., the volume changes in the anode material, are significantly related to cycling performance. We examined the microscopic interactions between silicon and lithium atoms using molecular dynamics simulations. Our observations indicate that lithium migration within amorphous silicon, which has lower activation energy, is much easier than in crystalline silicon. In crystalline silicon, lithium penetration is greatly influenced by the orientation of the crystal planes, resulting in anisotropic volume expansion during lithiation. Full article

The detection of highly toxic chemicals such as phosgene is crucial for addressing the severe threats to human health and public safety posed by terrorist attacks and industrial mishaps. However, timely and precise monitoring of phosgene at a low cost remains a significant challenge. This work is the first to report a novel fluorescent system based on the Intramolecular Charge Transfer (ICT) effect, which can rapidly detect phosgene in both solution and gas phases with high sensitivity by integrating a benzo[1,2-b:6,5-b’]dithiophene-4,5-diamine (BDTA) probe. Among existing detecting methods, this fluorescent system stands out as it can respond to phosgene within a mere 30 s and has a detection limit as low as 0.16 μM in solution. Furthermore, the sensing mechanism was rigorously validated through high-resolution mass spectrometry (HRMS) and density functional theory (DFT) calculations. As a result, this fluorescent probing system for phosgene can be effectively adapted for real-time, high-sensitivity sensing and used as a test strip for visual monitoring without the need for specific equipment, which will also provide a new strategy for the fluorescent detection of other toxic materials. Full article

The discovery of novel cytotoxic drugs is of paramount importance in contemporary medical research, particularly in the search for treatments with fewer side effects and higher specificity. Antimicrobial peptides are an interesting class of molecules for this endeavor. In this context, the LyeTx III, a new peptide extracted from the venom of the Lycosa erythrognatha spider, stands out. The peptide exhibits typical antimicrobial traits: a positive net charge and amphipathic α -helix structure in lipid-like environments. Its unique sequence (GKAMKAIAKFLGR-NH₂), identified via mass spectrometry and Edman degradation, shows limited similarity to existing peptides. Significantly, when liposome-encapsulated, LyeTx III demonstrates selective activity against tumor cells in culture. Our MTT results showed that the cytotoxicity of the peptide increased against HN13 cells when administered as liposomes, with their viability in HN13 cells alone being 98%, compared to 38% in liposome-encapsulated form. This finding underscores that the LyeTx III peptide may be a good candidate for the development of new drugs against cancer. Its activity when encapsulated is promising, as it can increase its half-life in the body and can also be targeted to specific tumors. Full article

Due to its low cost, natural abundance, non-toxicity, and high theoretical capacitance, cobalt oxide (CoO) stands as a promising candidate electrode material for supercapacitors. In this study, binder-less molybdenum doped CoO (Mo@CoO) integrated electrodes were one-step fabricated using a simple electric discharge corrosion (EDC) method. This EDC method enables the direct synthesis of Mo@CoO active materials with oxygen vacancy on cobalt substrates, without any pre-made templates, conductive additives, or chemicals. Most importantly, the EDC method enables precise control over the discharge processing parameter of pulse width, which facilitates tailoring the surface morphologies of the as-prepared Mo@CoO active materials. It was found that the fabricated Mo@CoO based symmetric supercapacitor prepared by a pulse width of 24 μs (Mo@CoO-SCs24) achieved a maximum areal capacitance 36.0 mF cm⁻² (0.15 mA cm⁻²), which is 1.83 and 1.97 times higher than that of Mo@CoO-SCs12 and Mo@CoO-SCs36. Moreover, the Mo@CoO-SCs24 devices could be worked at 10 V s⁻¹, which demonstrates their fast charge/discharge characteristic. These results demonstrated the significant potential of the EDC strategy for efficiency fabricating various metal oxide binder-less integrated electrodes for various applications, like supercapacitors, batteries and sensors. Full article

Sr₂TiO₄, a prominent member of the Ruddlesden–Popper (RP) perovskite family, has garnered significant interest in photocatalysis, primarily owing to its distinctive two-dimensional (2D) layered structure. In this review, we provide an insightful and concise summary of the intrinsic properties of Sr₂TiO₄, focusing on the electronic, optical, and structural characteristics that render it a promising candidate for photocatalytic applications. Moreover, we delve into the innovative strategies that have been developed to optimize the structural attributes of Sr₂TiO₄. These strategies aim to maximize light absorption, improve charge separation, and accelerate the photocatalytic reaction rates. By highlighting these unique approaches, we strive to contribute to a more profound understanding of the material’s potential and stimulate further advancements in developing Sr₂TiO₄-based photocatalytic systems. The review not only synthesizes the existing knowledge but also offers a perspective in future directions for research and application. As the field of photocatalysis continues to evolve, Sr₂TiO₄ stands poised to play a pivotal role in the quest for more efficient and sustainable solar energy conversion technology. Full article

Redox flow batteries (RFBs), with distinct characteristics that are suited for grid-scale applications, stand at the forefront of potential energy solutions. However, progress in RFB technology is often impeded by their prohibitive cost and the limited availability of essential research and development test cells. Addressing this bottleneck, we present herein an open-source device tailored for RFB laboratory research. Our proposed device significantly lowers the financial barriers to research and enhances the accessibility of vital equipment for RFB studies. Employing innovative fabrication methods such as laser cutting, 3D printing, and CNC machining, a versatile and efficient flow cell has been designed and fabricated. Furthermore, our open laboratory research equipment comprises the Opensens potentiostat, charge/discharge testing devices, peristaltic pumps, and inexpensive rotating electrodes. Every individual element contributes significantly to the establishment of an all-encompassing experimental configuration that is both economical and efficient, thereby facilitating expedited progress in RFB research and development. Full article

Natural polyphenolic compounds play a pivotal role in biological processes and exhibit notable antioxidant activity. Among these compounds, chlorogenic acid stands out as one of the most widespread and important polyphenols. The accurate detection of chlorogenic acid is crucial for ensuring the quality and classification of the raw materials used in its extraction, as well as the final products in the food, pharmaceutical, and cosmetics industries that contain this bioactive compound. Raman spectroscopy emerges as a powerful analytical tool, particularly in field applications, due to its versatility and sensitivity, offering both qualitative and quantitative analyses. By using the self-assembly of gold nanoparticles at liquid–liquid interfaces and the developed “aqua-print” process, we propose a facile and inexpensive route to fabricate enhanced substrates for surface-enhanced Raman spectroscopy with high reproducibility. To ensure substrate reliability and accurate molecule detection in SERS experiments, a benchmarking procedure was developed. This process involved the use of non-resonant rhodamine 6G dye in the absence of charge transfer and was applied to all synthesized nanoparticles and fabricated substrates. The latter revealed the highest enhancement factor of 4 × 10⁴ for 72 nm gold nanoparticles among nanoparticle diameters ranging from 14 to 99 nm. Furthermore, the enhanced substrate was implemented in the detection of chlorogenic acid with a concentration range from 10 μM to 350 μM, demonstrating high accuracy (R² > 99%). Raman mapping was employed to validate the good uniformity of the signal (the standard deviation was below 15%). The findings of this study were also supported by DFT calculations of the theoretical Raman spectra, demonstrating the formation of the chlorogenic acid dimer. The proposed method is strategically important for the development of the class of in-field methods to detect polyphenolic compounds in raw materials such as plants, extracted plant proteins, and polyphenolic compounds. Full article

Medicinal Inorganic Chemistry has provided oncology with metallodrugs for cancer treatment, including several promising candidate drugs. In particular, copper(II) coordination compounds with phenanthroline stand out as potential anticancer agents. In this work, we used Differential Scanning Calorimetry and Electron Spin Resonance to investigate the interaction of the copper phenanthroline complexes [Cu(phen)]²⁺ and [Cu(L-dipeptide)(phenanthroline) (L-dipeptide: L-Ala-Gly and L-Ala-Phe)) with model lipid membranes (1,2-dipalmitoyl-sn-glycero-3-phosphocholine, DPPC, and 1,2-dipalmitoyl-sn-glycero-3-phospho-(1′-rac-glycerol) sodium salt, DPPG). Our results showed that the complexes interact with the membrane models, fluidizing them. The [Cu(phen)]²⁺ presented a different localization than the free ligand phen. The dipeptide modulated the localization of the complex in the membrane and the modifications induced in the physicochemical properties of the lipid vesicles. A stronger interaction with DPPG anionic membranes was observed, which mimic membranes with negatively charged surfaces, as found on several tumor cells. Full article

The main purpose of this study is to characterize the nature of the low-energy singlet excited states of the anthranilic acid homodimer (AA₂) and their changes (symmetry breaking) caused by deformation of the centrosymmetric, ground state structure of AA₂ towards the geometry of the S₁ state. We employ both the correlated ab initio methods (approximate Coupled Clusters Singles and Doubles—CC2 and CASSCF/NEVPT2) as well as the DFT/TDDFT calculations with two exchange–correlation functionals, i.e., B3LYP and CAM-B3LYP. The composition of the wavefunctions is investigated using the one-electron transition density matrix and difference density maps. We demonstrate that in the case of AA₂, small asymmetric distortions of geometry bring about unproportionally large changes in the excited state wavefunctions. We further provide comprehensive characterization of the AA₂ electronic structure, showing that the excitation is nearly completely localized on one of the monomers, which stands in agreement with the experimental evidence. The excitation increases the π-electronic coupling of the substituents and the aromatic ring, but only in the excited monomer, while the changes in the electronic structure of the unexcited monomer are negligible (after geometry relaxation). The increased electronic density strengthens both intra- and intermolecular hydrogen bonds formed by the carbonyl oxygen atom of the excited monomer, making them significantly stronger than in the ground state. Although the overall pattern of changes remains qualitatively consistent across all methods employed, CC2 predicts more pronounced excitation-induced modifications of the electronic structure compared to the more routinely used TDDFT approach. The most important deficiency of the B3LYP functional in the present context is locating two charge-transfer states at erroneously low energies, in close proximity of the S₁ and S₂ states. The range-corrected CAM-B3LYP exchange–correlation functional gives a considerably improved description of the CT states at the price of overshot excitation energies. Full article