Explore the vast range of titles available.

Context In this work, a series of heterocyclic alkenes were prepared by the reaction of 2-hydroxy-1-naphthaldehyde with various heterocyclic active methylene compounds via Knoevenagel condensation reaction using mesoporous silica, MCM 41, supported perchloric acid as an efficient green catalytic system under solvent-free conditions. A comparative study of the conventional method vs the green method was also reported with the same raw materials. 1 H NMR, 13 C NMR, IR, and mass spectroscopic techniques were used for the characterization of synthesized compounds. Methods Computational study was performed for these compounds by applying density functional theory (DFT) at M06 functional and 6-311G (d,p) basis set to interpret the electronic structures and counter check the experimental findings. The frequency analysis with aforementioned levels of DFT was performed to confirm the stability associated with optimized geometries. The true minimum for the optimized geometries for 1 , 2 , and 3 was achieved as indicated by the absence of negative eigenvalues in all the calculated frequencies. Additionally, natural bond orbitals (NBOs) and nonlinear optical (NLO) properties were explored utilizing the aforementioned level and basis set combination via DFT, whereas the frontier molecular orbitals (FMOs) evaluation was done at time-dependent density functional theory TDDFT at M06/6-311G(d,p). The global reactivity parameters were also calculated using the FMO data. These computation-based outcomes were found in good agreement with the experimental findings.

Exposure to fluorine (F) in soil increases the risks of dental and skeletal fluorosis and osteoporosis. Therefore, it is important to accurately determine the soil F concentration, and quantitatively evaluate the factors that affect the human health risk of soil F. Differences in soil F concentrations were investigated based on source type (anthropogenically contaminated or naturally enriched) and determination method (perchloric acid extraction-distillation (PAED) or alkali fusion-filtration). A soil sample without contamination history (background F concentration = 208 mg·kg −1 ) was collected and injected with sodium fluoride (NaF) to prepare anthropogenically F-contaminated soil. Mica gravel (> 2 mm) was ground and mixed with quartz powder to mimic soil components of natural F origin. The F concentration in anthropogenically contaminated soil did not significantly differ between methods (slope = 0.959, p > 0.05). The concentration in the naturally F-enriched soil analyzed using alkali fusion-filtration was approximately twice that of the sample analyzed using PAED (slope = 0.548, p < 0.05). This significant difference was ascribed to the abundance of chemically stable F. Non-carcinogenic hazard quotients for children differed between methods in naturally F-enriched soil, at 1.335 (alkali fusion-filtration) and 0.641 (PAED). These findings offer valuable insights for assessing, managing, and remediating soils contaminated or enriched with F.

Layer removal with electropolishing is a well-established method when measuring residual stress profiles with lab-XRD. This is done to measure the depth impact from processes such as shot peening, heat treatment, or machining. Electropolishing is used to minimize the influence on the inherent residual stresses of the material during layer removal, performed successively in incremental steps to specific depths followed by measurement. Great control of the material removal is critical for the measured stresses at each depth. Therefore, the selection of size of the measurement spot and electropolishing parameters is essential. The main objective in this work is to investigate how different electrolytes and electropolishing equipment affect the resulting surface roughness, geometry, microstructure, and consequently the measured residual stress. A second objective has been to establish a methodology of assessing the acquired electropolished depth. The aim has been to get a better understanding of the influence of the layer removal method on the accuracy of the acquired depth. Evaluation has been done by electropolishing one ground and one shot peened sample of a low-alloy carbon steel, grade 1.1730, with different methods. The results showed a difference in stresses depending on the electrolyte used where the perchloric acid had better ability to retain the stresses compared to the saturated salt. Electropolishing with saturated salt is fast and results in evenly distributed material removal but has high surface roughness, which is due to a difference in electropolishing of the two phases, ferrite, and pearlite. Perchloric acid electropolishing is slower but generates a smooth surface as both ferrite and pearlite have the same material removal rates but may cause an increased material removal for the center of the electropolished area. In this work, it is suggested to use perchloric acid electropolishing for the final layer removal step.

Understanding and manipulating gas bubble evolution during electrochemical water splitting is a crucial strategy for optimizing the electrode/electrolyte/gas bubble interface. Here gas bubble dynamics are investigated during the hydrogen evolution reaction on a well-defined platinum microelectrode by varying the electrolyte composition. We find that the microbubble coalescence efficiency follows the Hofmeister series of anions in the electrolyte. This dependency yields very different types of H2 gas bubble evolution in different electrolytes, ranging from periodic detachment of a single H2 gas bubble in sulfuric acid to aperiodic detachment of small H2 gas bubbles in perchloric acid. Our results indicate that the solutal Marangoni convection, induced by the anion concentration gradient developing during the reaction, plays a critical role at practical current density conditions. The resulting Marangoni force on the H2 gas bubble and the bubble departure diameter therefore depend on how surface tension varies with concentration for different electrolytes. This insight provides new avenues for controlling bubble dynamics during electrochemical gas bubble formation.Although gas bubble dynamics during electrochemical processes dramatically affect performance, the fundamental understanding and manipulation of such dynamics have been limited. Now, electrolyte composition is found to be a key factor in inducing a solutal Marangoni instability that impacts both H2 gas detachment and coalescence between H2 microbubbles.

Over the past century, the search for lead-free, environmentally friendly initiating substances has been a highly challenging task in the field of energetic materials. Here, an organic primary explosive featuring a fused-ring structure, 6-nitro-7-azido-pyrazol[3,4-d][1,2,3]triazine-2-oxide, was designed and synthesized through a facile two-step reaction from commercially available reagents. This organic initiating substance meets nearly all of the stringent criteria of environmentally friendly primary explosives for commercial applications: it is free of toxic metals and perchlorate, has a high density, high priming ability, unusual sensitivities towards non-explosive stimuli, excellent environmental resistance, decent thermal stability, high detonation performance, satisfactory flowability and pressure durability, and is low-cost and easy to scale-up. These combined properties and performance measures surpass the current and widely used organic primary explosive, DDNP. The fused-ring organic primary explosive reported herein may find real-world application as an initiating explosive device in the near future. The search for environmentally friendly, lead-free primary explosives continues to be important for both military and civil applications. Here the authors synthesize an organic fused-ring initiating substance that possesses many of the attributes necessary for commercial application.

Endocrine-disrupting chemicals (EDCs) are exogenous chemicals that interfere with hormone action, thereby increasing the risk of adverse health outcomes, including cancer, reproductive impairment, cognitive deficits and obesity. A complex literature of mechanistic studies provides evidence on the hazards of EDC exposure, yet there is no widely accepted systematic method to integrate these data to help identify EDC hazards. Inspired by work to improve hazard identification of carcinogens using key characteristics (KCs), we have developed ten KCs of EDCs based on our knowledge of hormone actions and EDC effects. In this Expert Consensus Statement, we describe the logic by which these KCs are identified and the assays that could be used to assess several of these KCs. We reflect on how these ten KCs can be used to identify, organize and utilize mechanistic data when evaluating chemicals as EDCs, and we use diethylstilbestrol, bisphenol A and perchlorate as examples to illustrate this approach.

Nanoporous structures have proven as an effective way for enhanced electrochromic performance by providing a large surface area can get fast ion/electron transfer path, leading to larger optical modulation and fast response time. Herein, for the first time, application of vacuum cathodic arc plasma (CAP) deposition technology to the synthesis of WO 3 /NiO electrode films on ITO glass for use in fabricating complementary electrochromic devices (ECDs) with a ITO/WO 3 /LiClO 4 -Perchlorate solution/NiO/ITO structure. Our objective was to optimize electrochromic performance through the creation of electrodes with a nanoporous structure. We also examined the influence of WO 3 film thickness on the electrochemical and optical characteristics in terms of surface charge capacity and diffusion coefficients. The resulting 200-nm-thick WO 3 films achieved ion diffusion coefficients of (7.35 × 10 −10 (oxidation) and 4.92 × 10 −10  cm 2 /s (reduction)). The complementary charge capacity ratio of WO 3 (200 nm thickness)/NiO (60 nm thickness) has impressive reversibility of 98%. A demonstration ECD device (3 × 4 cm 2 ) achieved optical modulation (ΔT) of 46% and switching times of 3.1 sec (coloration) and 4.6 sec (bleaching) at a wavelength of 633 nm. In terms of durability, the proposed ECD achieved ΔT of 43% after 2500 cycles; i.e., 93% of the initial device.

Collagen quantification has long been relevant to biomedical research and clinical practice to characterize tissues and determine disease states. The hydroxyproline assay, while a broadly employed method of quantifying collagen, uses perchloric acid to dissolve Ehrlich's reagent. Since perchloric acid poses occupational safety hazards and high costs, in this study, a new hydroxyproline assay was developed that replaces perchloric acid with a relatively safer and cheaper alternative, hydrochloric acid (HCl). To validate this biochemical technique, first, using either acid to dissolve Ehrlich's reagent, the assays were completed for native and engineered collagenous tissues. No statistical differences were identified between the assays ( p  = 0.32). Subsequently, both biochemical techniques were compared to amino acid analysis, considered a proteomics gold standard. Interestingly, utilizing HCl in lieu of perchloric acid yielded greater concordance with amino acid analysis (ρ c  = 0.980) than did the traditional assay (ρ c  = 0.947); that is, the HCl-based assay more closely estimates hydroxyproline content, and, consequently, true collagen content. Thus, using Ehrlich's reagent containing HCl in the hydroxyproline assay represents an advance in both mitigating laboratory safety hazards and improving biochemical collagen quantification.

A saturated aqueous solution of sodium perchlorate (SSPAS) was found to be electrochemically superior, because the potential window is remarkably wide to be approximately 3.2 V in terms of a cyclic voltammetry. Such a wide potential window has never been reported in any aqueous solutions, and this finding would be of historical significance for aqueous electrolyte to overcome its weak point that the potential window is narrow. In proof of this fact, the capability of SSPAS was examined for the electrolyte of capacitors. Galvanostatic charge-discharge measurements showed that a graphite-based capacitor containing SSPAS as an electrolyte was stable within 5% deviation for the 10,000 times repetition at the operating voltage of 3.2 V without generating any gas. The SSPAS worked also as a functional electrolyte in the presence of an activated carbon and metal oxides in order to increase an energy density. Indeed, in an asymmetric capacitor containing MnO 2 and Fe 3 O 4 mixtures in the positive and negative electrodes, respectively, the energy density enlarged to be 36.3 Whkg −1 , which belongs to the largest value in capacitors. Similar electrochemical behaviour was also confirmed in saturated aqueous solutions of other alkali and alkaline earth metal perchlorate salts.

Mesoporous ZnCo 2 O 4 rods have been successfully prepared via oxalate co-precipitation method without any template. The nano-sized spinel crystallites connected together to form mesoporous structure by annealing homogeneous complex oxalates precursor at a low rate of heating. It is found that the low anneal rate plays an important role for the formation of mesoporous ZnCo 2 O 4 rods. The effects of the heat temperature on the phase, morphology and catalytic properties of the products were studied. The XRD, SEM TEM, and N 2 absorption/desorption have been done to obtain compositional and morphological information as well as BET surface area of the as-prepared sample. Catalytic activities of mesoporous ZnCo 2 O 4 rods toward the thermal decomposition of ammonium perchlorate (AP) were investigated with differential scanning calorimetry (DSC) and thermogravimetry (TG) techniques. The results show that the addition of ZnCo 2 O 4 rods to AP dramatically reduces the decomposition temperature. The ZnCo 2 O 4 rods annealed at 250 °C possesses much larger specific area and exhibits excellent catalytic activity (decrease the high decomposition temperature of AP by 162.2 °C). The obtained mesoporous ZnCo 2 O 4 rods are promising as excellent catalyst for the thermal decomposition of AP.