The cooperation of magnetic and electric plasmon resonances in cup-shaped metallic nanostructures exhibits significant capability for second-harmonic generation (SHG) enhancement. Herein, we report an approach for synthesizing Au open nanoshells with tunable numbers and sizes of openings on a template of six-pointed PbS nanostars. The morphology of Au nanoshells is controlled by adjusting the amount of HAuCl4, and the characteristic shapes of pointed nanocaps, open nanoshells, and hollow nanostars are obtained. Owing to the collaboration of electric and magnetic plasmon resonance modes, the Au nanoshells exhibit significantly broadened and highly tunable optical responses. Furthermore, the morphology-dependent SHG of the Au nanoshells shows two maximal SHG intensities, corresponding to four-opening and one-opening Au nanoshells with appropriate opening sizes. Ag/Au and AuAg/Ag/Au open nanoshells were further investigated to achieve enhanced SHG. By adjusting the thickness of the Ag shell, the SHG intensity of Ag/Au open nanoshells reaches a maximum due to the gradient field at the AuAg bimetallic interface. After replacing the Ag shells with Au shells, the SHG intensity of AuAg/Ag/Au open nanoshells reaches a maximum due to further symmetry breaking. These findings provide a strategy to prepare colloidal metal nanocrystals with prospective applications ranging from nonlinear photonic nanodevices to biospectroscopy and photocatalysis.Metal tellurides (MTs) have emerged as highly promising candidate anode materials for state-of-the-art lithium-ion batteries (LIBs) and sodium ion batteries (SIBs). This is owing to the unique crystal structure, high intrinsic conductivity, and high trap density of such materials. The present work delivers a detailed discussion on the latest research and progress associated with the use of MTs for LIBs/SIBs with a focus on reaction mechanisms, challenges, electrochemical performance, and synthesis strategies. Further, the prospects and future development of MT anode materials are discussed in terms of strategies to overcome the existing limitations. This review provides both an in-depth understanding of MTs and provides the driving force for expanding research on MTs for energy storage and conversion applications.Correction for 'Clickable iron oxide NPs based on catechol derived ligands synthesis and characterization' by Esther Pozo-Torres et al., Soft Matter, 2020, 16, 3257-3266, DOI 10.1039/C9SM02512J.Catalytic carbonyl formation ranks as one of the most important synthetic methodologies. Herein, a highly effective palladium-catalyzed and alcohol-promoted transformation of nitriles to synthesize benzocyclic ketones is described. It provides a straightforward access to potentially valuable indanone compounds in high yields in the presence of alcohol. It avoided the usage of carbon monoxide or an additional hydrolysis procedure.Fe(III) complexes are receiving ever-increasing attention as spin crossover (SCO) systems because they are usually air stable, as opposed to Fe(II) complexes, which are prone to oxidation. Here, we present the first systematic study exclusively devoted to assess the accuracy of several exchange-correlation functionals when it comes to predicting the energy gap between the high-spin (S = 5/2) and the low-spin (S = 1/2) states of Fe(III) complexes. Using a dataset of 24 different Fe(III) hexacoordinated complexes, it is demonstrated that the B3LYP* functional is an excellent choice not only for predicting spin-state energy gaps for Fe(III) complexes undergoing spin-transitions but also for discriminating Fe(III) complexes that are either low- or high-spin in the whole range of temperatures. Our benchmark study has led to the identification of a very versatile Fe(III) compound whose SCO properties can be engineered upon changing a single axial ligand. Overall, this work demonstrates that B3LYP* is a reliable functional for screening new spin-crossover systems with tailored properties.A series of amine bisphenol (ABP) pro-ligands featuring amino acid ester pendant arms were prepared. Optimisation of the synthetic method allowed the facile incorporation of naturally occurring, chiral amino acids into the ABP scaffold with minimal racemisation. Reaction of the pro-ligands (LH2) with Pd(OAc)2, in the presence of amines, led to the formation of complexes with an unprecedented pincer-like O,N,O coordination mode around the PdII centre. The complexations in the presence of trialkylamines (NR3) afforded a mixture of LPdNR3 and LPdNHR2 species. The latter was shown to form via an ambient-temperature C-N cleavage involving unstable Pd(OAc)2(NHR2)2 intermediates. Using pyridine as base eliminated this dealkylation and resulted in the exclusive formation of LPd(py) complexes in high yields. In total, seven novel PdII ABP complexes were prepared, exhibiting distorted square-planar geometries with the asymmetric ligand moieties orientated towards the metal centre. The air- and moisture-stable LPd(py) complexes were successfully employed as catalysts in two types of C-C coupling reactions. The Suzuki-Miyaura coupling of 4'-bromoacetophenone and phenylboronic acid reached high yields (up to 81%), while a scope of further alkyl bromides was also efficiently converted using low catalyst loadings (1 mol%) and mild temperatures (40 °C). Furthermore, a Pd-pyridine complex achieved high activity in the Mizoroki-Heck coupling of styrene and 4'-bromoacetophenone.The slow-photon effect of Pt/TiO2-SiO2 inverse opal on photocatalytic nonoxidative coupling of methane was explored regarding the cavity size and filming treatment. The ethane production rate was maximized to 72 μmol g-1 h-1 on a filmed microarray with a macroporous diameter of 170 nm, demonstrating the significance of enhancing light-matter interaction for methane conversion.Ab initio electronic excited state calculations are necessary for the quantitative study of photochemical reactions, but their accurate computation on classical computers is plagued by prohibitive resource scaling. The Variational Quantum Deflation (VQD) is an extension of the quantum-classical Variational Quantum Eigensolver (VQE) algorithm for calculating electronic excited state energies, and has the potential to address some of these scaling challenges using quantum computers. However, quantum computers available in the near term can only support a limited number of quantum circuit operations, so reducing the quantum computational cost in VQD methods is critical to their realisation. In this work, we investigate the use of adaptive quantum circuit growth (ADAPT-VQE) in excited state VQD calculations, a strategy that has been successful previously in reducing the resources required for ground state energy VQE calculations. We also invoke spin restrictions to separate the recovery of eigenstates with differed.Although silk proteins are considered promising in building a scaffold for tissue engineering, one of the silk proteins, Bombyx mori silk sericin (BS), has limited processability in producing nanofibrous scaffolds because its surface charge anisotropy promotes gelation instead. To overcome this daunting challenge, we developed a mild and simple procedure for assembling BS into nanofibers and nanofibrous scaffolds. Briefly, arginine was added to the aqueous BS solution to reduce the negative charge of BS, thereby inducing BS to self-assemble into nanofibers in the solution. Circular dichroism (CD) and Fourier transform infrared (FT-IR) spectra showed that arginine promoted the formation of β-sheet conformation in BS and increased its thermal stability. Furthermore, the arginine-induced BS nanofiber solution could be casted into scaffolds made of abundant network-like nanofibrous structures. The BS scaffolds promoted cell adhesion and growth and stimulated osteogenic differentiation of the bone marrow mesenchymal stem cells (BMSCs) in the absence of differentiation inducers in culture media. Selleck Linsitinib Our study presents a new strategy for assembling proteins into osteogenic nanofibrous scaffolds for inducing stem cell differentiation in regenerative medicine.A method for lead (Pb) detection in soil is presented. Pb is a dangerous environmental pollutant that is present in soils, posing a health risk to millions of people worldwide, and regular monitoring of Pb contamination in soils is essential to public health. Many sensitive methods for detection of heavy metals in solid matrices exist, but they cannot be performed on-site because they are costly (>$30 per sample), require trained personnel, and many classical sample preparation methods are not safe to bring into the field. We describe an alternative process, combining a safer sample preparation method with electrochemical analysis. The process requires minimal training, making it an attractive overall method for regular environmental screening of Pb in soils. Extract obtained from the soil is pH adjusted and analyzed using a stencil-printed carbon electrode and square wave anodic stripping voltammetry. In this work, a study of 15 neighborhood soils examining the concentration of Pb present post-extraction was performed to demonstrate the method. The limit of detection for the electrochemical analysis was calculated to be 16 ppb-well below the United States Environmental Protection Agency's action limit for Pb in soils (400 mg kg-1 or 4000 ppb)-and third party inductively coupled plasma-optical emission spectroscopy analysis validated the results obtained in this study to within ±17% on average.Reducing the interfacial resistance between solid electrolytes and electrodes is critical for developing high-energy density solid-state batteries. In the present study, a simple strategy of designing an integrated cathode and solid electrolyte (ICSE) to avoid a contact interface is proposed and successfully fulfilled with the help of UV curving. Firstly, a porous polymer film (PVDF-HFP/PVDF) was formed on the surface of the porous LiFePO4 electrode via PVP dissolution. Secondly, curable monomers, including PEGDA/PETMP/TFEMA, were filled into the porous membrane via infiltration and concentration. Lastly, the ICSE was obtained via curing with ultraviolet light. The as-prepared LiFePO4//ICSE//Li solid battery displays excellent electrochemical performance with a high reversible capacity of 153 mA h g-1 and a capacity of over 140 mA h g-1 was retained after 150 cycles at 0.1C and 25 °C. This ICSE strategy may effectively contribute to the practical application of all-solid-state batteries.I.The Coronavirus Disease 2019 (COVID-19) has demonstrated that accurate forecasts of infection and mortality rates are essential for informing healthcare resource allocation, designing countermeasures, implementing public health policies, and increasing public awareness. However, there exist a multitude of modeling methodologies, and their relative performances in accurately forecasting pandemic dynamics are not currently comprehensively understood. In this paper, we introduce the non-mechanistic MIT-LCP forecasting model, and assess and compare its performance to various mechanistic and non-mechanistic models that have been proposed for forecasting COVID-19 dynamics. We performed a comprehensive experimental evaluation which covered the time period of November 2020 to April 2021, in order to determine the relative performances of MIT-LCP and seven other forecasting models from the United States' Centers for Disease Control and Prevention (CDC) Forecast Hub. Our results show that there exist forecasting scenarios well-suited to both mechanistic and non-mechanistic models, with mechanistic models being particularly performant for forecasts that are further in the future when recent data may not be as informative, and non-mechanistic models being more effective with shorter prediction horizons when recent representative data is available.Selleck Linsitinib