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In this paper, we propose a composite nano-microstructure comprising Ti3C2 and nanogold as a surface-enhanced Raman spectroscopy (SERS)-active substrate for the highly sensitive sensing of amine gases. The adsorption performance of Ti3C2 was tested by a quartz crystal microbalance (QCM) sensor. Excellent adsorption ability of Ti3C2 was observed for aniline, phenylenediamine, and diethylamine, with adsorption amounts exceeding 2210, 1740, and 970 ng cm−2, respectively. The synergistic effect of the electromagnetic properties of Ti3C2 and nano-Au in the Ti3C2/nano-Au composite nanostructures was verified by finite-difference time-domain simulation. Partial chemical enhancement between Ti3C2 and aniline was verified by photocurrent tests. To achieve assay specificity, mercaptoacetaldehyde (MA) was adopted as a recognition probe. The Schiff base reaction between aldehyde groups and amino groups produces the –C＝N– bond, with the Raman characteristic peak at 1635 cm−1, enabling precise amine identification with the SERS chip. To obtain the Ti3C2/nano-Au@MA SERS sensing chip, nano Au was deposited on an indium tin oxide substrate using the chronoamperometric method, followed by nano-Au aldolization modification through Au-SH interactions and the spin-coating of a Ti3C2 film layer. Due to the high affinity of Ti3C2 for amine molecules and the low SERS background signal of MA and Ti3C2, the SERS spectra could be used for ultra-sensitive detection of amines. Three amine gases, i.e. aniline, p-phenylenediamine, and diethylamine, were detected quantitatively using the intensity ratiometric method on the functionalized Ti3C2/nano-Au@MA SERS sensor chip. The detection limits were 1, 1, and 20 parts per billion, respectively. By identifying the characteristic fingerprint peaks and comparing the relative intensity of the –C＝N– characteristic peak, quantitative analysis of the components of aniline and p-phenylenediamine mixed gas was accomplished. These findings demonstrate that the Ti3C2/nano-Au@MA SERS sensor chip offers a promising approach for the detection of amine gas molecules and holds potential for applications in environmental monitoring, disease diagnosis, and chemical analysis. [ABSTRACT FROM AUTHOR]

Zeolites are a class of catalysts with specific pore structures as well as different pore sizes, which are now widely used in various shape-selective catalytic reactions. In this paper, a uniform micro/mesoporous core–shell composite HZSM-@MCM-41 comprising zeolite was successfully prepared by coating mesoporous MCM-41 shells on nanosized ZSM-5 cores using a two-step hydrothermal method. Nanoscale ZSM-5 cores with different acidity were successfully prepared by changing the Si/Al of the initial solution of pristine ZSM-5, and three different thicknesses of MCM-41 shell layers were easily encapsulated on the surface of ZSM-5 with different acidity by varying the amount of silicon source added in the secondary hydrothermal crystallization process. The synthesized series of micro-mesoporous core–shell catalysts were also applied to the catalytic fast pyrolysis in lignin. In the catalytic fast pyrolysis of lignin, the mesoporous structure promoted the transition of biomass pyrolysis intermediate to liquid products, and the acidity of the HZSM-5 core facilitated their catalytic transformation to aromatic hydrocarbons. Among all the tested catalysts, the HZ@M-80-ll catalyst with an internal Si/Al = 80 and MCM-41 shell thickness of ∼25 nm exhibited the highest production of light aromatics and phenols. [ABSTRACT FROM AUTHOR]

Chiral surfaces are an object of interest due to their application in catalysis, separation and sensors. Such surfaces can exhibit chirality on the molecular or supramolecular level. Previously, we have studied the thermodynamic features of adsorption on non-porous surfaces with supramolecular chirality. However, for their application in enantiomer separation, enantioselectivity and capacity should be greater. Porous adsorbents are promising for this purpose. In this work, the enantioselectivity of copper borophosphate LiCu2[BP2O8(OH)2] was studied. This zeotype material was obtained by hydrothermal synthesis without any source of chirality. Supramolecular chirality was achieved by spontaneous symmetry breaking via Viedma ripening. XRD and SEM were used to prove the synthesis accuracy. Enantioselectivity during adsorption was studied using the adsorption isotherms of α-pinene and limonene enantiomer analysis. The experimental isotherms were approximated by Langmuir, Dubinin–Radushkevich, Freundlich and Fowler–Guggenheim equations. The t-test was used to prove the reliability of the differences in enantiomer adsorption. The isosteric heats of adsorption were calculated from the adsorption isotherms. The data obtained have shown the ability of the LiCu2[BP2O8(OH)2] surface to recognize both α-pinene and limonene enantiomers. The molecules of α-pinenes adsorbed without pores, with the maximum enantioselectivity coefficient of 1.23 at 80 °C. Limonene molecules adsorbed in pore volume as single molecules or 1D chains. This phenomenon was proved by analysis of isosteric heats. The enantioselectivity of copper borophosphate to limonenes and α-pinenes was similar. The ability of pores with supramolecular chirality (and without molecular chirality) to recognize enantiomers was discovered in this paper for the first time. [ABSTRACT FROM AUTHOR]

The proliferation of drug-resistant bacteria and infections such as methicillin-resistant Staphylococcus aureus (MRSA) pose a serious challenge to global healthcare. Photothermal therapy (PTT) is becoming a highly effective antimicrobial method. Compared with near infrared I (NIR-I), near infrared II (NIR-II) has deeper penetration depth, less light scattering and higher maximum permissible exposure (MPE). The selection of a photothermal agent (PTA) and laser parameters is important. Three kinds of MXenes, Nb2C, Ti3C2 and V2C, were prepared in this paper, and the extinction coefficient and photothermal conversion efficiency (PCE) of NIR-I and NIR-II were compared. The extinction coefficient of Ti3C2 (26.23 L g−1 cm−1) at 808 nm was greater than those of Nb2C (24.38 L g−1 cm−1) and V2C (19.43 L g−1 cm−1). However, V2C had a higher temperature than Nb2C at 808 nm due to its high PCE (49.26%). Nb2C had a higher extinction coefficient (24.99 L g−1 cm−1) and PCE (45.55%) at 1064 nm, resulting in the highest temperature change. High extinction coefficient and high PCE are the two important factors for an excellent PTA. To reduce laser power used in the treatment, NIR-II laser and a gelation strategy for MXenes were used. The prepared Nb2C/Gel could be rapidly heated to 62 °C at a laser power of 0.112 W (lower than MPE), and the sterilization rate for MRSA was 92.48%. A NIH-3T3 cell activity study showed that the prepared Nb2C had good biocompatibility. Nb2C/Gel has excellent antibacterial properties and it is expected that a rapid, efficient and safe biological antimicrobial strategy against bacterial infections can be established using Nb2C/Gel, especially for drug-resistant bacterial infections. [ABSTRACT FROM AUTHOR]

In this paper, flame retardant composites were prepared by incorporating three flame retardants (FRs), including triphenyl phosphate (TPP), polysiloxane (PSQ) and phosphite functionalized polysiloxane (PPSQ), respectively into a polylactic acid (s/PLLA) matrix. The results indicated that the ultimate oxygen index increased from 20.6% (s/PLLA) to 22.5% (s/PLLA/TPP), 21.1% (s/PLLA/PSQ), and 23.3% (s/PLLA/PPSQ). The composites exhibited a decrease in peak heat release rate (pHRR) and prolonged peak time according to the cone calorimetry analysis. s/PLLA/PPSQ possessed the highest residual carbon content and the densest char residue with finest and smallest pores, indicating excellent flame-retardant performance. The crystallization behavior analysis revealed that the three FRs resulted in an increased crystallization rate and crystallinity. Notably, the crystallinity of s/PLLA/PPSQ increased from 25.8% in s/PLLA to 37.3%. Additionally, PSQ and PPSQ effectively enhanced the mechanical properties of composite materials. Compared to s/PLLA, the tensile strength of s/PLLA/PSQ and s/PLLA/PPSQ increased by 11.5% and 31.3% respectively, and storage modulus increased by 50.0% and 14.6%. This research demonstrated that among the three additives, PPSQ can effectively provide both flame retardancy and mechanical properties to the s/PLLA matrix, resulting in the composite with the best comprehensive performance. [ABSTRACT FROM AUTHOR]

Solvent vapor-driven soft actuators are promising devices for human-environment interaction and have gained considerable attention in recent years. To enhance the interaction with the solvents and deliver a fast response and superior sensitivity, polymer/MOF composites are promising candidates for the fabrication of solvent-driven actuators. This paper presents a multiple-solvent-driven intelligent MOF-polymer soft actuator, namely MIL-88B/PVDF asymmetric film, and compares it to analogs based on other MIL-88(Fe) series flexible MOFs. This comparison investigates the deformation-structure relationship and the solvent-driven mechanism. The deformation of the MIL-88(Fe)/PVDF composite films in response to various organic solvents has been studied, and the structure and composition of the MOF fillers and the composites were characterized by SEM, FT-IR, and XRD. Furthermore, the MIL-88B/PVDF composite, which shows ability to respond to multiple solvents and a fast deformation response to several organic solvents through the solvent swelling/adsorption of the MOF skeleton and the appropriate flexibility and group affinity from the terephthalic acid ligand, was used to fabricate an inverted opal gradient actuator composed of MIL-88B, carbon black (CB) and PVDF, namely MIL-88B/CB/PVDF. The MIL-88B/CB/PVDF film not only realizes excellent dual-responsive deformation and discoloration to methanol vapor with fast visible deformation within 1 s with a maximum crimp angle of up to 5581 (10 vol% concentration) and a wide color change range covering six viewing-angledependent high-saturation colors (red, orange, yellow, green, blue and purple) but also shows an approximate linear relationship between the maximum curl angle and the solvent concentration for three solvents (methanol, toluene and chloroform). In addition, several smart devices have also been fabricated, including methanol-driven bionic petals, a worm robot, an alertor and a LIG sensor. Therefore, such polymer/MOF soft actuators have great potential in bio-robots and this work provides a new design strategy for smart materials. [ABSTRACT FROM AUTHOR]

A volumetric bar-chart chip (V-chip) is a microfluidic device based on distance-based quantitative measurement that visualizes analyte concentration without the need for apparatus or data processing. This typically utilizes special receptors and catalysis parts that generate oxygen, so ink can be moved inside the channels, and enables instant visual quantitation of the analyte. However, the low stability of some macromolecules, the use of expensive catalysts, and difficulty in controlling the process cause inaccurate readings, and therefore, limit further development and the use of these systems. In this article, we introduced a novel approach that eliminates the use of catalysts in V-chips and provides an efficient and simple path in the design of biosensors. The product of the enzymatic reaction of urease with urea is bicarbonate, which turns into CO2 gas in an acidic environment. Therefore, the amount of gas produced is proportional to the amount of urea in the sample, and it can be quantitatively measured by visual detection from the amount of ink movement caused by CO2 gas pressure. This biosensor has a linear response range of 0 to 1000 µg ml-1 and a detection limit of 3.6 µg ml-1 in raw milk. The recovery of urea in raw milk at 100 and 400 µg ml-1 concentrations was 96.5% and 98.9%, respectively. This volumetric chip shows potential for determining urea levels in real samples without requiring additional equipment. The combination of the sensitivity and specificity of enzymatic reactions, inherent gas-generating reactions, and the processability of microchips discussed in this paper can be the basis for the comprehensive development of volumetric chips, which can create a new path for the development of efficient and cheap biosensors. [ABSTRACT FROM AUTHOR]

Automated high-throughput liquid handling operations in biolabs necessitate miniaturised and automatised equipment for effective space utilisation and system integration. This paper presents a thermal segment microwell plate control unit designed for enhanced microwell-based experimentation in liquid handling setups. The development of this device stems from the need to move towards geometry standardization and system integration of automated lab equipment. It incorporates features based on Smart Sensor and Sensor 4.0 concepts. An enzymatic activity assay is implemented with the developed device on a liquid handling station, allowing fast characterisation via a high-throughput approach. The device outperforms other comparable devices in certain metrics based on automated liquid handling requirements and addresses the needs of future biolabs in automation, especially in highthroughput screening. [ABSTRACT FROM AUTHOR]

CsPbBr3 nanoplatelets (NPLs), as some of the two-dimensional lead halide perovskites, have been intensively investigated due to their outstanding photophysical and photoelectric properties. However, there remain unclear fundamental issues on their carrier kinetics and the low-energy tail in their photoluminescence (PL) spectrum. In this paper, we synthesized CsPbBr3 NPLs with five [PbBr6]4− monolayers and performed comprehensive studies by using steady-state absorption, PL, and femtosecond transient absorption (fs-TA) spectroscopic measurements. We determined both the biexciton Auger recombination time (7 ± 2 ps) and trapped exciton lifetime (110 ± 15 ps) of the five monolayer CsPbBr3 NPLs. We also investigated the origin of the low-energy tail emission in their PL spectrum. More importantly, we found that a negative ΔA feature in the energy range of 2.45–2.55 eV appears in their fs-TA spectrum at 2, 4 and 10 ps delay times, which could help them act as a laser gain medium. The low-energy tail emission in their PL spectrum overlaps well with the negative ΔA feature in the energy range of 2.45–2.55 eV in their fs-TA spectrum at 2, 4 and 10 ps delay times. [ABSTRACT FROM AUTHOR]

The present paper investigates one of the hydrazone derivatives (BTH with a D–π–A structure) based on density functional theory. With the computation results of ground state absorption (GSA), excited-state absorption (ESA) and multi-photon absorption (MPA), the optical limiting effect observed in the experiment for the BTH molecule can be well predicted and elucidated by the MPA-ESA mechanism. The analysis of the hole–electron and the electron density differences between two transition states reveal that the main transitions involved in the GSA and ESA of BTH could be recognized as local excitation. Based on these observations, four novel hydrazone derivatives based on the BTH unit with a D1–D–Ai–π–A structure were designed to promote intramolecular charge transfer (ICT). It shows that the ICT effect is well improved by adding the D1 and Ai units. Compared with the original BTH molecule, the main bands of GSA and ESA of D1–D–Ai–π–A molecules are both red-shifted. In addition, GSA, ESA and MPA probabilities are all improved because the obvious charge transfer character results in the transition dipole moment change from localized to delocalized. Accordingly, the optical limiting effect in these hydrazone derivatives is well enhanced. These observations provide guidance for designing novel optical limiting materials based on the hydrazone derivatives. [ABSTRACT FROM AUTHOR]

In this paper, we theoretically present and numerically demonstrate an actively tunable and switchable multi-functional metamaterial based on vanadium dioxide (VO2) and graphene in the terahertz region. When VO2 is in the metallic phase, the proposed metamaterial serves as a multi-band perfect absorber, which exhibits the characteristics of insensitive polarization and robust tolerance for variations of the incidence angle. When VO2 is in the insulator phase, the proposed metamaterial acts as a polarization converter, which can simultaneously achieve perfect linear-to-linear and linear-to-circular polarization conversions. The simulation results show the cross-polarization conversion rate can reach ∼100% at the frequency region from 6.09 to 6.43 THz as well as 8.15 THz. Moreover, the ellipticity of linear-to-circular polarization conversion reaches ±1 at frequencies of 5.75 and 8.34 THz, respectively, which means the linear polarization waves can be completely converted into circular polarization waves. The proposed metamaterial provides new insight for the design of optoelectronic devices with multi-functionality in the terahertz region. [ABSTRACT FROM AUTHOR]

As a significant reactive oxygen species (ROS), hypochlorous acid (HClO) plays a key role in the human immune system, ensuring the normal function of the organism. However, abnormal HClO levels have been linked to immune system disorders, neurodegenerative damage, and cancer. Therefore, rapid, and sensitive monitoring of HClO is important for the diagnosis of certain diseases. Here, we designed a probe XL for the detection of HClO in living cells, which is a mixture of phenothiazine and semi-cyanine. The probe XL is highly sensitive, selective and has an ultra-fast (<10 seconds) response to HClO in solution. The detection limit of probe XL for HClO was as low as 31 nM, and we also successfully used the test paper prepared with probe XL for the colorimetric fluorescence detection of HClO in real water samples. In addition, probe XL showed good response to both endogenous and exogenous HClO in cells. Finally, we successfully used probe XL for imaging HClO in zebrafish. [ABSTRACT FROM AUTHOR]

In this paper, three-dimensional TiO2 nanoflowers (NFs) were prepared by a facile hydrothermal method, and Ag3PO4 was grown in situ following alkali treatment to design and synthesize a Ag3PO4/OH/TiO2 catalyst with excellent photocatalytic activity under visible light. The test results show that the photocatalytic degradation performance of TiO2 NFs after alkali treatment and Ag3PO4 loading is significantly improved. This is because the alkali treatment and the introduction of Ag3PO4 can provide a large amount of –OH, which can be converted to ˙OH under UV irradiation, followed by an increase in the number of active radicals to enhance the photocatalytic degradation performance. Meanwhile, the introduction of Ag3PO4 can effectively improve the light absorption ability of the photocatalyst. Moreover, the in situ growth of Ag3PO4 on TiO2 NFs can construct a high-quality Ag3PO4/TiO2 heterojunction to promote the charge separation and transport. Therefore, the degradation rate of Ag3PO4/OH/TiO2 can reach 90% after 30 min for degrading 3 mg L−1 RhB under visible light. The Ag3PO4/OH/TiO2 photocatalyst designed in the present work provides a new tool for the degradation of organic dyes. [ABSTRACT FROM AUTHOR]

In this paper, two D–π–A structured self-assembly monolayers (SAMs: FNE29 and DT-1) are self-assembled onto the indium tin oxide (ITO) substrates as hole-transport layers (HTLs) for inverted perovskite solar cells (PSCs). Due to the presence of a terminal –COOH group, the SAMs can be adsorbed onto the surface of the ITO substrate through the covalent self-assembly. The employed FNE29 and DT-1 SAMs differ in the π bridge (linker); the FNE29 SAM has a hexyl-substituent terthiophene while the DT-1 SAM contains dithienopyrrolobenzotriazole as the linkers, respectively. Upon the self-assembly of ITO with the SAMs, the power conversion efficiency (PCE) is enhanced from 9.36% for the control device to 16.75% for the FNE29 modified device and further to 20.65% for the DT-1 modified PSCs. As the D–π–A structured SAMs with a large fused π bridge as a linker is beneficial for hole transfer, the self-assembly of DT-1 achieves a higher PCE with an improved fill factor. Moreover, due to the good hydrophobic characteristics of the SAMs, the inverted PSC devices self-assembled with these two molecules display good stability, maintaining over 80% of the original PCE after storage in air (relative humidity of 20–30%) for ∼1000 h without encapsulation. In addition, the FNE29 and DT-1 based devices also show good photostability after operating for 1000 h. These results indicate that the D–π–A structured SAMs with large conjugated fused π bridges as linkers have obvious advantages as the HTLs for inverted PSCs. [ABSTRACT FROM AUTHOR]

This article introduces functional framework materials, such as metal-organic frameworks (MOFs), covalent-organic frameworks (COFs), hydrogen-bonded organic frameworks (HOFs), and porous organic polymers (POPs). These materials have unique properties that make them useful in various applications, including separation, catalysis, energy storage, sensing, and medicine. The article presents a collection of over 70 papers that contribute to the progress of this field, covering a diverse range of materials, preparation methods, and applications. It emphasizes the interdisciplinary nature of this research field and encourages readers to explore the potential of functional framework materials in sustainable development. [Extracted from the article]

In this paper, a La0.6Sr0.4CoO3/MoS2 composite electrocatalyst was prepared by a sol–gel method and subsequent dry ball milling. It showed high activity and favored the reaction kinetics for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) under alkaline conditions. When applied for overall water splitting, it showed a low full-cell voltage of 1.48 V at 10 mA cm−2 that is comparable to state-of-the-art noble metal catalysts. Using in situ Raman spectroscopy we identified the surface reactive intermediates: cobalt (hydr)oxides with high oxidation states were formed under anodic potentials at the La0.6Sr0.4CoO3/MoS2 interface to facilitate the OER. DFT calculations showed that the two-phase interface facilitated the polarization of the interface charge and modulated the bonding of the reaction intermediates, accelerating the overall water splitting. This work exemplifies the impact of interfacial engineering on the electrocatalytic performance and provides a new route for the development of low-cost and non-noble metal catalysts for water electrolysis. [ABSTRACT FROM AUTHOR]

The advancement in two-dimensional (2D) materials has led to the development of new charging methods in portable and wearable electronic devices. However, their charging methods are still confined to contact/wired mode. Radio Frequency (RF) energy harvesting exhibits potential for extracting electrical power from the environment, benefiting from its limitless ambient availability and extended power transfer capabilities. This paper demonstrates the fabrication of an RF energy harvesting device using liquid phase exfoliated atomically thin earth-abundant pyrite ore (iron sulfide (FeS2)). Owing to pyrite's unique semiconductor properties such as a very small narrow band gap (0.8 eV) and high carrier mobility (360 cm2 V−1 s−1), it is possible to make a Schottky junction with a metal electrode. Hence, we fabricated a Schottky device employing a Ti/2D-FeS2/ITO configuration using drop casting methods. Electrical measurements reveal that the device has a low turn-on voltage of 0.18 V and a low Schottky barrier height of 0.14 eV. To substantiate the role of 2D-FeS2, density functional theory (DFT) studies were performed revealing the impact of the Giant Stark Effect (GSE) in lowering the bandgap of 2D FeS2. This insidious phenomenon of GSE in 2D-FeS2 makes it an ideal material of choice for RF energy harvesting applications. The device we fabricated functions within the commercial frequency modulation broadband range and extends seamlessly into the very high-frequency radio spectrum. It generated a 1.5 V output voltage using commercial FM broadband frequencies, sufficient for charging a 1.5 F supercapacitor. Subsequent experimentation with a handheld walkie-talkie demonstrated that the device could achieve a maximum voltage of 3.5 V within the one-meter range, exhibiting an efficiency of 30%. The implications of this discovery suggest that 2D-FeS2-based wireless energy-powered portable devices hold promise for healthcare/biomedical device applications, energy harvesting in remote areas, and regions affected by floods or natural disasters. [ABSTRACT FROM AUTHOR]

Phase change materials (PCMs) possess exceptional thermal storage properties, which ultimately reduce energy consumption by converting energy through their inherent phase change process. Biomass materials offer the advantages of wide availability, low cost, and a natural pore structure, making them suitable as carrier materials for biomass composite PCMs. Biomass composite phase change materials can not only address the issue of leakage associated with conventional PCMs during solid–liquid conversion, but also possess environmental protection and biodegradability characteristics. This paper provides a comprehensive introduction to the types and encapsulation methods of PCMs. Based on the current research, this paper introduces the fundamental characteristics of biomass composite PCMs and summarizes the preparation methods. Finally, the future development direction and application of biomass composite PCMs are discussed, offering new insights into PCM research. [ABSTRACT FROM AUTHOR]

The document is a contents list for the journal "Dalton Transactions: An International Journal of Inorganic Chemistry," published by The Royal Society of Chemistry. It includes various articles covering topics such as proton conduction, catalytic dinitrogen reduction, and structural insight into pharmacokinetic parameters. One article titled "Room temperature spin crossover properties in a series of mixed-anion Fe(NH2trz)3(BF4)2−x(SiF6)x/2 complexes" by Xinyu Yang et al. explores the spin crossover properties of these complexes at room temperature. The study investigates how the complexes behave under changes in temperature and pressure, providing insights into their potential applications in molecular electronics and data storage. [Extracted from the article]

Cadmium poisoning is a chronic accumulation process, and long-term drinking of even low cadmium content water will cause kidney damage, so an ultra-low detection limit is particularly important. However, at the present stage, the traditional detection method cannot reach a sufficiently low detection limit, the response time is too long, and the cost of detection is very high, so that real-time measurement cannot be realized. Therefore, the traditional cadmium ion detection method has a slow response and an insufficient detection limit. This paper presents a fiber optic cadmium ion sensor functionalized based on an Fe3O4@SiO2@CS magnetic ion imprinting polymer (M-IIP). The sensor is based on the coupling characteristics of the optical microfiber coupler (OMC) cone region to achieve a highly sensitive response to the change in the cadmium ion concentration. M-IIP materials were prepared by surface imprinting polymerization to achieve low cross-sensitivity and thus improve the detection limit of the sensor. The results show that the developed fiber sensor has high specificity and a rapid response to cadmium ions. The experimental limit of detection (LOD) reached 0.051 nM within 0–1 μM with a response time of less than 50 s. Moreover, the proposed fiber cadmium ion sensor exhibits excellent performance in terms of sensitivity, stability, repeatability and biocompatibility. [ABSTRACT FROM AUTHOR]

This paper describes the electrochemical behavior of five β-blockers at the polarized liquid–liquid interface formed between aqueous solution (sodium chloride solution or Britton–Robinson buffers) and bis(triphenylphosphoranylidene)ammonium tetrakis(4-chlorophenyl)borate (BTPPATPBCl) dissolved in 1,2-dichloroethane (the organic phase). All measurements reported in this work were conducted using cyclic voltammetry (CV). The effects of the concentration of analytes, the pH of the aqueous phase, and applied electrochemical parameters on the analytical performance of the studied system are studied and discussed. The linear dynamic ranges (LDRs) of the studied β-blockers were in the range of 5–200 μmol L−1 and the lowest limit of detection (LOD) value was determined for pindolol (LOD = 1.96 μM μmol L−1). The highest LOD value was 4.96 μmol L−1 found for nebivolol. In addition, physicochemical parameters such as the formal Galvani potential difference (Δ aqorg φ), formal Gibbs free energies of the ion transfer reaction (Δ aqorg G′) and partition coefficients (log P′aq/org) for all studied molecules were determined. The latter were compared and correlated with the available literature values of log Poctanol. Finally, a standard addition method was used to determine the concentration of nebivolol in pharmaceutical preparations using a platform based on the electrified liquid–liquid interface. [ABSTRACT FROM AUTHOR]

Gold nanoparticles (AuNPs) are extensively used in cellular imaging, single-particle tracking, disease diagnosis, studying membrane protein interaction, and drug delivery. Understanding the dynamics of AuNP uptake in live cells is crucial for optimizing their efficacy and safety. Traditional manual methods for quantifying AuNP uptake are time-consuming and subjective, limiting their scalability and accuracy. The available fluorescence-based techniques are limited to photobleaching and photoblinking. Optical microscopy techniques are limited by diffraction limits. Electron microscopy–based imaging techniques are destructive and unsuitable for live cell imaging. Furthermore, the resulting images may contain hundreds of particles with varied intensities, blurring, and substantial occlusion, making it difficult to manually quantify AuNP uptake. To overcome this issue and measure AuNP uptake by live cells, we annotated a dataset of dark-field images of 50 nanometer–radius AuNPs at different incubation durations. Then, to count the number of particles present in a cell, we created a customized multi-column convolutional neural network (MC-CNN). The customized MC-CNN outperformed typical particle counting architectures when compared to spectroscopy-based counting. This will allow researchers to gain a better understanding of AuNP behavior and interactions with cells, paving the way for advancements in nanomedicine, drug delivery, and biomedical research. The code for this paper is available at the following link: https://github.com/Namerlight/LabelFree_AuNP_Quantification. [ABSTRACT FROM AUTHOR]

As a new generation of photoelectric materials, organic-inorganic halide perovskites have been widely used in photodetectors, solar cells and other fields, but most of the current mainstream applications are thin film materials. Compared with polycrystalline thin films, perovskite single crystals have fewer grain boundaries and relatively stable electron and hole transport, and are ideal materials for optoelectronic devices. To realize the controllable growth of CH3NH3PbBr3 (MAPbBr3) crystals, understand their growth mechanism, and reflect the inherent physical and chemical properties of the material, a new type of internal growth temperature control and external circulation cooling growth system was developed in this paper, which can accurately control the temperature change during crystal growth. The size of the grown MAPbBr3 single crystal reaches 62 × 58 × 23 mm³, which is the largest single crystal reported to date. The measured single crystal absorption cut-off edge, optical band gap, and carrier lifetime are superior to the traditional simple inverse temperature crystallization (ITC) method, which will help its deep applications in photovoltaics, optoelectronics, and X-ray imaging. [ABSTRACT FROM AUTHOR]

Radical-cation salts of formula β?-(BEDT-TTF)4[(H3O)Fe(C2O4)3]·guest have produced a large number of superconductors and provided a route to introduce magnetism and chirality into the same multifunctional material. A relationship has been found in these salts between the length of the b axis and the superconducting Tc. Increasing the b axis length by introducing larger guest molecules, such as benzonitrile and nitrobenzene, gives the highest superconducting Tcs in this family of salts. Smaller guests such as pyridine show no superconducting transition, whilst asymmetrical guests which are larger than nitrobenzene have given a different bilayered structure. Other potential guest molecules have been limited by their ability to be used as the solvent in which the crystals are grown via electrocrystallisation. This paper reports a method which introduces guest molecules into the crystal which are a solid or liquid additive within the crystal-growing solvent 1,2,4-trichlorobenzene:ethanol. We present the crystal structures of five new BEDT-TTF radical-cation salts with tris(oxalato)ferrate anions using guest molecules toluene, phenol, benzaldehyde, 4-bromobenzaldehyde, and kojic acid. [ABSTRACT FROM AUTHOR]

In the literature, PDIs have been shown to demonstrate extensive applications in the area of organic electronics due to their ability to act as n-type semiconductors. PDIs have been applied in a wide range of electronic devices, including energy storage devices. To fit in these applications, we have modified the valine-terminated PDI core by substituting groups, viz. phenoxy, 4-methoxy phenoxy, and 3,4-dimethoxy phenoxy groups, at bay positions to fine-tune their HOMO-LUMO levels. In this paper, a series of conjugation-extended 1,7-, 1,6- and 1,6,7-regioisomers of Val-PDIs were synthesized, and 1,6,7-PDIs were removed by utilizing the Soxhlet extraction technique used for the first time. The 1,7- and 1,6-PDIs were separated by repeated crystallization and their structural characterization was performed using FTIR, ¹H NMR, 13C NMR, and HRMS. Further, the structures of as-synthesized PDIs were optimized by DFT calculations using the B3LYP approach with a 6-31+G(d,p) basis set, and the electronic transitions were visualized by analyzing natural transition orbitals (NTO). The photophysical properties of the highly soluble bay-substituted PDIs were evaluated using UV-Visible and fluorescence spectroscopic techniques in organic solvents ranging from non-polar to polar. Furthermore, their relative polarities in the ground vs. excited state were determined by employing the Lippert-Mataga relations. The electrochemical investigations of PDIs were done using cyclic voltammetry to evaluate their redox behavior. In addition to their unique structural relationship, 1,7- and 1,6-regioisomers revealed intriguing optoelectronic properties. Finally, symmetric supercapacitors (SSCs) were developed by exploiting the regioisomerically pure 1,7- and 1,6-disubstituted PDIs as electrode materials. The as-fabricated PDIs/GF electrodes were optimized in a two-electrode SC device given their electrochemical performance. Two of the PDIs, viz. M1 and D1, demonstrated good results of specific capacitances, i.e. 59.41 and 23.60 Fg-1 respectively, in the SSC devices. [ABSTRACT FROM AUTHOR]

In this paper, nitrogen-doped carbon dots (NCDs) were synthesized via a facile hydrothermal method using gum arabic (GA) and tris(hydroxymethyl)methyl aminomethane (tris) as precursors. The resultant NCDs show uniform size distribution and stable optical performance. Then a fluorescent signal quenching probe based on NCDs was proposed for the quantitative detection of mercury ions (Hg2+). The developed fluorescent nanoprobe based on NCDs demonstrated a good linear relationship in the range of 10 to 120 μM (R² = 0.99265) for toxic mercury(II), with a detection limit of 4.87 μM. Additionally, the present assay system could be efficiently used for the detection of Hg2+ in real water samples with a satisfactory recovery rate (96.11-104.04%). The metal-free NCDs, which exhibited little cytotoxicity, were successfully applied to in vitro fluorescence imaging of human triple negative breast cancer (TNBC) cells, achieving visualization of Hg2+ in cells. With good water solubility and biocompatibility, the nitrogen-doped carbon dots synthesized by this economical and ecologically friendly process are suitable for use in analytical testing and biological research. [ABSTRACT FROM AUTHOR]

This paper explores the connection between the H3BO3 flux concentration and the co-existence of Eu2+ and Eu3+ dopants within CaMgSi2O6 crystals (diopside). The samples were synthesised using a solid-state synthesis method under varying atmospheric conditions, including oxidative (air), neutral (N2), and reductive (H2/N2 mixture) environments. Additionally, some materials underwent chemical modification by partially substituting Si4+ with Al3+ ions acting as charge compensation defects stabilizing Eu3+ luminescence. Depending on the specific synthesis conditions, the materials predominantly displayed either the orangered luminescence of Eu3+ (under oxidising conditions) or the blue luminescence of Eu2+; however, the comprehensive results confirmed the co-existence of Eu3+/Eu2+ luminescence in both cases. This work shows that varying flux concentrations added during synthesis significantly affect the relative strength of Eu2+ and Eu3+ emissions in a manner dependent on the synthesis atmosphere. The emission of Eu2+ increases with a higher flux concentration in materials synthesised under oxidative and neutral atmospheres independent of the chemical modification. In contrast, for materials obtained under a reductive atmosphere, the changes in the Eu3+ emission intensity depended on the presence or absence of Al3+ ions namely the increase of flux increased the Eu3+ intensity in the case of unmodified materials and decreased in the Al-modified ones. All observed effects were qualitatively explained considering the double role of the flux in the studied system, which besides facilitating the diffusion of chemical species during synthesis acts as a charge compensating agent by creating B'Si centres stabilizing Eu3+ emission. [ABSTRACT FROM AUTHOR]

Photothermal materials generally suffer from challenges such as low photothermal conversion efficiency and inefficient full-spectrum utilization of solar energy. This paper proposes gradient refractive index transparent ceramics (GRITCs) integrated with subwavelength nanostructure arrays and simulates the synergistic anti-reflection effect by an admittance recursive model. An innovative subwavelength structure, possessing a superior light-trapping capability, is initially crafted based on this model. Subsequently, various intelligent optimization algorithms including genetic algorithm, particle swarm optimization, and simulated annealing are employed to optimize the structure of gradient refractive index films respectively. Finally, the photothermal conversion efficiencies of devices based on different photothermal materials are calculated. The simulations and finite-difference time-domain calculations demonstrate that the three-layer GRITCs integrated with an optimal SNA exhibit outstanding full-spectrum and omnidirectional anti-reflection performance. The solar transmittance of the devices can exceed 97% for light wavelengths ranging from 300 to 2500 nm over the full angle of incidence. Our results reveal that the synergistic anti-reflection effect in the SNAs and GRITCs can enhance the photothermal conversion efficiency by more than 20%. [ABSTRACT FROM AUTHOR]

In this paper we investigate the relationship between the conductivity effective mass and exfoliation energy of materials to assess whether automatic sampling of the electron band structure can predict the presence of and ease of separating chemically bonded layers. We assess 22 976 materials from the Materials Project database, screen for only those that are thermodynamically stable and identify the 1000 materials with the highest standard deviation for p-type and the 1000 materials with the highest standard deviation for n-type internal conductivity effective mass tensors. We calculate the exfoliation energy of these 2000 materials and report on the correlation between effective mass and exfoliation energy. A relationship is found which is used to identify a previously unconsidered two-dimensional material and could streamline the modelling of other two-dimensional materials in the future. [ABSTRACT FROM AUTHOR]

Continuous efforts are ongoing to discover new luminescent materials with appropriate properties for applications in medicine, serving as theranostic agents for healing and bioimaging. In this paper, novel single-phase carbonated calcium chlorapatite (Ca10(PO4)5(CO3)Cl2, abbreviated as CaClAp-CO3) phosphors activated with varying concentrations of Sm3+ ions were successfully fabricated using both co-precipitation and hydrothermal methods to investigate the influence of the synthesis techniques on the physicochemical properties of these materials. The effects of doping concentration of Sm3+ ions and synthesis techniques on the structure, photoluminescence (PL), energy transfer, substitute sites, fluorescence lifetime and luminescence colour of phosphors were investigated. The synthesized phosphors were characterized by X-ray diffraction (XRD) to confirm their crystal phase structure and purity. Vibrational features and the incorporation of carbonate ions were verified using Fourier-transform infrared (FTIR) spectroscopy. The obtained materials emit reddish-orange light, primarily from the most intense 4G5/2 → 6H7/2 transition. The electric dipole to magnetic dipole transition ratio (ED/MD), CIE colour coordinates and colour purity were determined to provide additional insights into the spectroscopic attributes of the obtained phosphors. In addition, the concentration quenching was also observed, and its mechanism was proposed based on theoretical calculations showing the multipolar interactions. [ABSTRACT FROM AUTHOR]

The mechanism of charge photogeneration in neat conjugated polymers has long been controversial and a unified explanation has not been achieved so far. In this paper, we use a surface hopping method to simulate the excited-state dynamics of a system composed of five π-stacked polymer chains. In this system, polaron pairs (PPs) with large electron–hole distance can be seen as free charges. The surface hopping method is based on the Pariser–Parr–Pople (PPP) Hamiltonian and the excited states of the system are calculated with configuration interaction singles (CIS) formalism. During the simulations, the yields of PPs and free charges are calculated using a statistical method. By comparison, it is found that impurity and excess energy have significant effects on the yields of PPs and free charges. Free charges are difficult to be generated in neat systems with small excess energy. Free charges come from direct dissociation of high-energy excitons. [ABSTRACT FROM AUTHOR]

This paper is devoted to the study of phase composition and kinetic and thermodynamic characteristics of Mo-doped strontium ferrite SrFe0.85Mo0.15O3−δ (SFM15) under oxygen-conducting membrane working conditions. Single-phase SFM15 with a cubic Pm3¯m structure was synthesized using a ceramic method. It was shown that the molybdenum introduction stabilizes the perovskite cubic structure over a wide range of oxygen pressures and temperatures, preventing the bulk phase transition at high temperatures. Oxygen exchange constants, diffusion coefficients and activation energy of oxygen exchange were obtained using oxygen relaxation and isotopic exchange techniques, and the obtained values are consistent with known literature data. It was shown that the surface reaction rates obtained using chemical and tracer relaxation methods are quantitatively comparable with each other, despite significantly different experimental conditions. This result not only confirms the reliability of the data obtained by independent methods, but also allows one to expand the area of physical conditions for studying the kinetics of oxygen transfer where another method has technical or methodological limitations. [ABSTRACT FROM AUTHOR]

Graphene oxide (GO) as a nano-reinforcing material has received extensive attention in cement composite materials. This paper employed molecular dynamics to simulate the friction process of calcium silicate hydrate (CSH) particles in the presence of double-sided and single-sided GCOOH (graphene oxide with a –COOH functional group, covering 10% of the surface). The investigation uncovered the lubricating effects of bifacial and unifacial GCOOH on the CSH interface. The findings indicate that the interfacial friction among CSH particles follows the sequence of double-sided GCOOH > pure CSH > single-sided GCOOH. In the double-sided GCOOH system, a greater external force is needed on the opposing side to alter the interaction with water molecules, calcium ions, and silica-oxygen tetrahedra, thereby enhancing friction. In contrast, the majority of the carboxyl groups on the single-sided GCOOH surface are strongly adsorbed onto the CSH surface, facilitating the entry of additional water molecules into the interlayer. Conversely, the unmodified side of the GCOOH has lower interactions with water molecules, hence improving its lubricating properties. [ABSTRACT FROM AUTHOR]

In the present study, spiropyran (SP)-like photoactive molecules were embedded in situ into cavities of lanthanide metal–organic frameworks (Ln-MOFs), resulting in individually aligned molecules to generate dynamically photo-responsive materials (Ln-MOFs@SP). To realize the practical application of Ln-MOFs@SP, we developed a series of light-responsive smart materials, including a nanopaper (Ln-nanopaper@SP) and inks (Tb-PU-ink@SP and Tb-PEG-ink@SP). The ultrasensitive light-coloring effect of nanopapers allowed erasing under ultraviolet and white light, suggesting the potential use of these nanopapers for information storage. Based on the written and printable characteristics of ink, multi-channel, cross-disciplinary information encryption and decryption of invisible two-dimensional (2D) codes, fluorescent 2D codes, and fluorescent 3D codes were achieved by building multicolour modular 2D codes. In addition, the Tb-PU-ink@SP ink was printed on various complex surfaces, expanding the potential applications of this ink. [ABSTRACT FROM AUTHOR]

The coatings industry is aiming to replace petrochemical-based binders in products such as paints and lacquers with bio-based alternatives. Native polysaccharide additives are already used, especially as adhesives, and here we show the use of oxidised dextran as a bio-based binder additive. Linear dextran with a molecular weight of 6 kDa was aerobically oxidised in water at the C3-position of its glucose units, catalysed by [(neocuproine)PdOAc]2(OTf)2. The resulting keto-dextran with different oxidation degrees was studied using adipic dihydrazide as a crosslinker in combination with the commercial petrochemicalbased binder Joncryl®. Coating experiments show that part of the Joncryl® can be replaced by ketodextran while maintaining the desired performance. [ABSTRACT FROM AUTHOR]

Glycidyl-based chain extenders are broadly used as processing aids to enhance the physical properties of polyesters, but glycidyl-containing compounds have severe toxicity concerns. Reported herein are glycidyl-free chain extenders produced via the grafting of 9-(oxiran-2-yl)nonyl methacrylate (EAT) and 8-(3-octyloxiran-2-yl)octyl methacrylate (EAI) on biodegradable poly(e-caprolactone) (PCL). EAI and EAT were grafted onto PCL via free radical grafting using melt extrusion to produce PCL-epoxy-grafted PCL-g-EAI and PCL-g-EAT. The obtained PCL-g-EAI and PCL-g-EAT were characterized by 1H nuclear magnetic resonance (NMR) spectroscopy, intrinsic viscosity measurements, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and size exclusion chromatography (SEC). Using reactive melt extrusion, PCL-g-EAI and PCL-g-EAT were tested as potential chain extenders for poly(lactic acid) (PLA). PCL-g-EAI showed comparable or better mechanical properties than those of the commercial chain extender Joncryl ADR. A cytotoxicity assay has been conducted on PLA samples with the new chain extender and showed the absence of cytotoxicity in all samples. The outcomes reported in this paper offer new opportunities for the development of safer chain extenders. [ABSTRACT FROM AUTHOR]

It is crucial to develop high-performance catalysts for the degradation of antibiotic pollutants. In this paper, we reported an inverse opal Mn-doped WO3 (IO Mn–WO3) catalyst to effectively activate peroxymonosulfate (PMS) for the degradation of levofloxacin (LVX) under visible light irradiation. The degradation efficiency of this novel photo-Fenton-like system could reach almost 100% for LVX. The catalyst showed good recyclability and stability within five cycles. In addition, the possible degradation pathways, the main reactive oxygen species and the degradation mechanism were systematically investigated in this work. ˙O2− and 1O2 were identified as the main reactive oxygen species in the degradation system. Mn doping can initiate PMS activation and improve charge transfer efficiency, WO3 can promote the reduction of Mn species to make the reaction in the system occur continuously, an inverse opal structure can further enhance light absorption and increase the contact area between the catalyst and the pollutant. This work integrated the Fenton-like catalytic effect and the photocatalytic effect into the designed catalyst for PMS activation and antibiotic degradation, which developed a feasible strategy to improve the degradation performance of Mn-based materials for environmental remediation. [ABSTRACT FROM AUTHOR]

The document is a contents list for the Journal of Materials Chemistry B, published in 2024. It includes reviews and papers on various topics related to materials for biology and medicine. Some of the topics covered include wound healing, nanotechnology for cancer theranostics, and strategies for enhancing antitumor photodynamic therapy. The journal is published by The Royal Society of Chemistry, a leading chemistry community. [Extracted from the article]

The document is a contents list for the journal "Lab on a Chip," which focuses on devices and applications at the micro- and nanoscale. It includes articles on various topics such as microfluidics, wearable devices, biosensors, and microphysiological systems. The journal aims to connect the world with the chemical sciences and is published by The Royal Society of Chemistry. The document provides a list of articles and authors featured in the journal's latest issue. [Extracted from the article]

Droplet microfluidics is a highly sensitive and high-throughput technology extensively utilized in biomedical applications, such as single-cell sequencing and cell screening. However, its performance is highly influenced by the droplet size and single-cell encapsulation rate (following random distribution), thereby creating an urgent need for quality control. Machine learning has the potential to revolutionize droplet microfluidics, but it requires tedious pixel-level annotation for network training. This paper investigates the application software of the weakly supervised cell-counting network (WSCApp) for video recognition of microdroplets. We demonstrated its real-time performance in video processing of microfluidic droplets and further identified the locations of droplets and encapsulated cells. We verified our methods on droplets encapsulating six types of cells/beads, which were collected from various microfluidic structures. Quantitative experimental results showed that our approach can not only accurately distinguish droplet encapsulations (micro-F1 score > 0.94), but also locate each cell without any supervised location information. Furthermore, fine-tuning transfer learning on the pre-trained model also significantly reduced (>80%) annotation. This software provides a user-friendly and assistive annotation platform for the quantitative assessment of cell-encapsulating microfluidic droplets. [ABSTRACT FROM AUTHOR]

The issue of preserving carbonatic stones of cultural heritage (CH) restored in the past that have undergone new decay phenomena is strongly emerging and conservation science has not yet found a reliable solution. In this paper, we propose the application of synchrotron radiation X-ray diffraction computed tomography (XRDCT) to explore the effects of using inorganic-mineral products (ammonium oxalate; ammonium phosphate) in sequence as a novel, compatible and effective re-treatment approach to consolidate decayed carbonatic stones already treated with inorganic-mineral treatments. High-quality XRDCT datasets were used to qualitatively/quantitatively investigate and 3D localize the complex mixture of crystalline phases formed after the conservation re-treatments within a porous carbonatic stone substrate. The XRDCT reconstruction images and the structural refinements of XRD patterns with the Rietveld methods showed that the phase composition of reaction products, their volume distribution, and weight fraction vary as a function of the treatment sequence and penetration depth. The high potential of XRDCT allows (i) assessment of peculiar trends of each treatment/treatment sequence; (ii) exploration of the reaction steps of the sequential treatments and (iii) demonstration of the consolidating effect of inorganic re-treatments, non-destructively and at the micron scale. Above all, our study (i) provides new analytical tools to support the conservation choices, (ii) showcases new analytical possibilities for XRDCT in conservation science, including in investigations of CH materials and decay processes, and (iii) opens up new perspectives in analytical chemistry and material characterisation for the non-destructive and non-invasive analysis of reactions within heterogeneous polycrystalline systems. [ABSTRACT FROM AUTHOR]

New electrochemical probes offer the opportunity to investigate new systems. A dual barrel electrode can be laser pulled to produce micron-sized platinum disk electrodes. Here, we detail several important considerations for both the fabrication process and for experimental implimentation of the probe. We provide parameters for a Sutter P-2000 laser puller, methods for optical and electrochemical characterization, tips for how to successfully bevel the microelectrodes, and how salt concentrations and electrostatic discharge affect the voltammetry. This paper serves as a guide for how to successfully implement dual barrel electrodes from fabrication to experimentation. [ABSTRACT FROM AUTHOR]

In this paper, for the newly proposed two-dimensional (2D) Janus MoAZ3H (A = Si, or Ge; Z = N, P, or As) monolayer (ML) materials, we theoretically explore the valleytronic and piezoelectric properties using first-principles calculations. The calculated results show that Janus MoAZ3H MLs have obvious valleytronic properties due to the broken inversion symmetry and strong spin–orbit coupling (SOC) effects, and the spin-valley coupling of MoAZ3H MLs can be enhanced from 173 to 283 meV by changing the A or Z element, comparable to the corresponding MoA2Z4 MLs. The non-zero Berry curvatures with opposite signs at the K and K′ points can induce the valley Hall effect. Furthermore, Janus MoAZ3H MLs exhibit obvious in-plane and out-of-plane piezoelectric responses, and their independent d11 and d31 piezoelectric coefficients range from 1.62 to 8.60 pm V−1 and from 0.058 to 0.325 pm V−1, respectively. This piezoelectricity is much stronger than those of the corresponding MoA2Z4 and MoSiGeN4 MLs, attributed to the unique Janus structure of the MoAZ3H MLs. More importantly, strain can tailor both the spin-valley coupling and piezoelectricity of the MoAZ3H MLs. Our findings not only enrich the excellent properties of the MoAZ3H MLs, but also indicate a direction for their application in valleytronics and energy conversion devices. [ABSTRACT FROM AUTHOR]

We previously reported that Zr substitution improves the chemical stability of Ba3Y4O9 and nominally 20 mol% Zr-substituted Ba3Y4O9 is an oxide-ion conductor at intermediate temperatures (500–700 °C). However, the influence of Zr substitution on the structural properties of Ba3Y4O9 was poorly understood. This paper aims to comprehensively understand the crystal structure of Ba3Y4O9 with Zr substitution by powder X-ray diffraction (XRD), extended X-ray absorption fine structure (EXAFS) measurements, and first-principles calculations. From the results, firstly we found that the hexagonal unit cell of Ba3Y4O9 reported in the database should be revised as doubled along the c-axis in terms of the periodicity of oxide-ion positions. The revised unit cell of Ba3Y4O9 consists of 18 layers of BaO3 and 24 layers of Y which periodically stack along the c-axis. In this work, we focused on the cationic lattice and noticed that the periodical stacking of Ba and Y layers comprises a similar sequence to that in the body-centered cubic (BCC) structure. There are two regions in the Ba3Y4O9 structure: one is a hetero-stacking region of Ba and Y layers (Ba–Y–Ba–Y–Ba) and the other is a homo-stacking region (Ba–Y–Y–Ba). It is noteworthy that the former region is similar to a cubic perovskite. In Zr-substituted Ba3Y4O9, Zr ions preferentially substitute for Y ions in the hetero-stacking region, and therefore the local environment of Zr ions in Ba3Y4O9 is quite similar to that in BaZrO3. Besides, the Zr substitution for Y in Ba3Y4O9 increases the fraction of the cubic-perovskite-like region in the stacking sequences. The structural change in the long-range order strongly affects the other material properties such as chemical stability and the ionic-conduction mechanism. Our adopted description of perovskite-related compounds based on the stacking sequence of the BCC structure should help in understanding the complex structure and developing new perovskite-related materials. [ABSTRACT FROM AUTHOR]