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ATP-activated P2X3 receptors play a pivotal role in chronic cough, affecting more than 10% of the population. Despite the challenges posed by the highly conserved structure of P2X receptors, efforts to develop selective drugs targeting P2X3 have led to the development of camlipixant, a potent, selective P2X3 antagonist. However, the mechanisms of receptor desensitization, ion permeation, and structural basis of camlipixant binding to P2X3 remain unclear. Here, we report a cryo-EM structure of camlipixant-bound P2X3, revealing a previously undiscovered selective drug-binding site in the receptor. Our findings also demonstrate that conformational changes in the upper body domain, including the turret and camlipixantbinding pocket, play a critical role: turret opening facilitates P2X3 channel closure to a radius of 0.7 Å, hindering cation transfer, whereas turret closure leads to channel opening. Structural and functional studies combined with molecular dynamics simulations provide a comprehensive understanding of camlipixant's selective inhibition of P2X3, offering a foundation for future drug development targeting this receptor. [ABSTRACT FROM AUTHOR]

Besides excellent thermoelectric properties, composed of earth-abundant elements and featuring simple chemical compositions are more conducive to the practical fabrication and utilization of thermoelectric materials. In this study, a tellurium-free thermoelectric compound, AgSbSe 2 , was synthesized, and the impact of Ag deficiencies on its thermoelectric performance was examined. It was found that the density of charge carriers of AgSbSe 2 can be effectively modulated by introducing slight Ag deficiencies, thereby significantly optimizing its electrical transport performance. A peak power factor of 6.63 μWcm−1K−2 @623 K is achieved in the sample with a composition of Ag 0.99 SbSe 2 , which is similar to the maximum value observed in Pb doped samples prepared by the same experimental production. Meanwhile, extremely low thermal conductivity was restrained in AgSbSe 2 with Ag deficiencies due to the effect of phonon scattering caused by crystal defects, which offsets the increased electrical thermal conductivity. Finally, a maximum zT value of 0.97 @623 K is obtained for Ag 0.99 SbSe 2 , which is comparable to that of heavily doped AgSbSe 2 with the conventional divalent cations doping at the Sb site. [ABSTRACT FROM AUTHOR]

This experimental study investigates the efficiency of hydrogen production from an aqueous ZnCl 2 solution using an electrochemical method within a chlor-alkali reactor. A laboratory-scale reactor with separate anode and cathode compartments was constructed for this purpose. The compartments are separated by a Nafion 212 membrane, which prevents the mixing of the anolyte and catholyte solutions while allowing the passage of positive ions (Zn+). Each compartment is equipped with five carbon rod electrodes. The anode chamber is fed with an aqueous ZnCl 2 solution, while the cathode chamber is supplied with pure water. The experiments were conducted with a constant electrolyte transfer rate of 0.3g/s into the reactor, at three different cell voltages (5.0, 7.5, and 10.0V) and two different cell temperatures (20 °C and 45 °C). Due to the small reactor dimensions and the dilution effect caused by adding pure water to the cathode compartment which decreases electrolyte density and adversely affects the current a noticeable reduction in hydrogen gas production was observed. Furthermore, the ZnCl 2 electrolyte mass flow rate did not significantly impact the current or the generation of hydrogen and chlorine gases. Consequently, no changes were made to the mass flow rate of pure water or the electrolyte. The presence of active chlorine gas was found to cause the erosion of the carbon rod electrodes in the anode chamber. As a result, the amount of chlorine gas produced in the anode chamber is significantly lower than the hydrogen gas produced in the cathode chamber. At a cell temperature of 20 °C, a mass flow rate of 0.3 g/s, and a cell voltage of 5 V with ZnCl2 aqueous solution, the minimum hydrogen production rate is 0.625 mL/min. In contrast, at a cell temperature of 45 °C, a mass flow rate of 0.3 g/s, and a cell voltage of 10 V, the maximum hydrogen production rate is 4.97 mL/min. • Hydrogen generation of the ZnCl 2. • Performance of the Chlor-alkali reactor for ZnCl 2. • The energetic performance of the system for different conditions. • The effect of heat and power on the hydrogen production. [ABSTRACT FROM AUTHOR]

In this study, CrSiN nano-composite ceramic films with optimized structure were prepared at low temperature using MIS-HiPIMS technique, owing to improved utilization of the high ionization characteristic of HiPIMS under specially designed synchronized pulsed-bias working mode. The correlations of the synchronized pulsed-bias width, the chemical composition, microstructure evolution, mechanical properties and tribological behaviors were studied systematically. According to the results, the waveforms of the pulsed bias experienced obvious fluctuating periods, indicating fluctuating intensities of positive ions arrived at the substrates. Meanwhile, the fluctuating duration increased with increasing synchronized pulse-width, providing an effective way of adjusting the energetic-ion flux for improved bombardment of the growing film. Therefore, obvious microstructure refinement of the as-deposited CrSiN films had been achieved. Due to optimized ion bombardment, the CrSiN films evolved from a coarse and transgranular columnar structure to a more densified columnar structure with the mixture phases of hcp-Cr 2 N, fcc-CrN as well as a-Si 3 N 4. Moreover, the hardness and elastic modulus of the CrSiN films were also elevated significantly, to the maximum values of 20.2 GPa and 348.3 GPa, respectively. Furthermore, with the best mechanical properties as well as the highest density, the optimized CrSiN film deposited at 400 μs also displayed the most excellent wear resistance, with the wear rate as low as 9.1 × 10−16 m3/N.m. This study not only proposes a method of optimizing the structure and tribological properties of CrSiN nano-composite ceramic films at relatively low temperature, and also enriches the property database of CrSiN films which could expand their application in fields involving thermal-sensitivity materials. [ABSTRACT FROM AUTHOR]

When exposed to severe environments, the short-range order in pyrochlores significantly influences their physicochemical properties. Using the DFT + U method, this study investigates the effect of short-range order on the solubility of actinides (An = Th, U, Np, Pu, Am, and Cm) in Gd 2 Zr 2 O 7 with distinct coordinated Gd and Zr sites. Our findings indicate that all the actinides under consideration are susceptible to being incorporated into the 7-fold Zr-site of quasi -weberite Gd 2 Zr 2 O 7. The weberite-like short-range order also favors immobilization of these actinides in the 6-fold Zr-site. The effect of the weberite-like motif on the solubility of actinides in the Gd-site of quasi -WB Gd 2 Zr 2 O 7 depends on the chemistry of the actinides. Furthermore, the short-range order results in a lower solution energy for An incorporation into the Gd and Zr sites of the quasi -weberite Gd 2 Zr 2 O 7 with cation antisites, thereby favoring An immobilization in a disordered environment. These results strongly demonstrate the importance of the short-range order on the solubility of actinides in disordered pyrochlores. [ABSTRACT FROM AUTHOR]

For the first time, we adopted the in-situ formed alumina, which resulted from the thermal decomposition of cheap and accessible potassium alum, as the source of aluminum cation to synthesize (Co 1/6 Mn 1/6 Fe 1/6 Cr 1/6 Ni 1/6 Al 1/6) 3 O 4 spinel-structured high-entropy oxide powder after the solid state reaction process, showing the advantages of lower synthesis temperature and scalable fabrication. To investigate the effect of aluminum cation insertion on the mechanical properties of (Co 1/6 Mn 1/6 Fe 1/6 Cr 1/6 Ni 1/6 Al 1/6) 3 O 4 , the (Co 1/6 Mn 1/6 Fe 1/6 Cr 1/6 Ni 1/6 Al 1/6) 3 O 4 and (Co 1/5 Mn 1/5 Fe 1/5 Cr 1/5 Ni 1/5) 3 O 4 ceramics were first fabricated and reported. Owing to significant lattice distortion induced by the aluminum cation, the (Co 1/6 Mn 1/6 Fe 1/6 Cr 1/6 Ni 1/6 Al 1/6) 3 O 4 possessed higher compressive strength, hardness, and elastic modulus, which were 139.3 MPa, 11.3 GPa, and 167.5 GPa, respectively. Moreover, the average grain size of (Co 1/6 Mn 1/6 Fe 1/6 Cr 1/6 Ni 1/6 Al 1/6) 3 O 4 only increased from 2.63 µm to 10.11 µm, while that of (Co 1/5 Mn 1/5 Fe 1/5 Cr 1/5 Ni 1/5) 3 O 4 increased from 1.77 µm to 15.61 µm. The slower grain growth rate of (Co 1/6 Mn 1/6 Fe 1/6 Cr 1/6 Ni 1/6 Al 1/6) 3 O 4 after aluminum cation insertion was attributed to the sluggish diffusion effect. [ABSTRACT FROM AUTHOR]

The purpose of this study was to examine the air-ion environment that might enhance brain activity by comparing changes in cerebral blood flow in the frontal lobes of candidate coaches in an air-ion environment. The participants were 28 coach candidates majoring in sports science and studying in a coaching course. In this study, four air environments were prepared: positive and negative ion environment, negative ion environment, positive ion environment, and environment without ions, and the amount of cerebral blood flow changes in the frontal lobe during task performance were compared. The results demonstrated that the environment with increased concentrations of both positive and negative ions had the potential to increase cerebral blood flow in the frontal lobes further. The findings were also similar in the positive ion environment. On the other hand, in the negative ion environment, there was no significant change in cerebral blood flow in the frontal lobes. [ABSTRACT FROM AUTHOR]

Ni x Al y Mn 3− x − y O 4 (0 < x < 0.6; 0 < y < 0.3) series NTC chip thermistors with homogeneous chemical compositions and high-pure spinel phases were fabricated via a tape casting-lamination-sintering process. The multi-variate cation distribution model was established as (Mn 1 - x + v 2 + Ni x - v 2 +) Mn 2 - 2 v - y 3 + Mn v 4 + Ni v 2 + Al y 3 + O 4 (0 < v < 0.5). The conduction mechanism was proposed based on a nearest neighbor hopping (NNH) model. They were verified coherently by cation-oxyanion chemical compositions (XRF/EDS), valence states (XPS), phase structures and Rietveld refinements (XRD), IR vibrations and electrical analyses. The obtained NTC chips were well suitable for commercial applications with a high reliability and with regulable ρ 25 (4080 ± 135 ∼ 15,760 ± 526 Ω cm) and B 25/50 (4016 ± 20 ∼ 4251 ± 13 K). • Ni x Al y Mn 3− x − y O 4 (0 < x < 0.6; 0 < y < 0.3) specimens were fabricated via a tape casting-lamination-sintering process. • The multi-variate cation distribution model was established. • The conduction mechanism was proposed based on a nearest neighbor hopping (NNH) model. • MNA-series NTC chip thermistors have a high reliability and apply to the commercial production in microelectronic industry. [ABSTRACT FROM AUTHOR]

Dilated selectivity filters observed in inactivated voltage-activated K+ channel structures reveal that larger pores can result in reduced ion permeation. Functional experiments measuring changes in reversal potential in response to sustained activation of P2X and transient receptor potential (TRP) channels may be due to ion accumulation and depletion rather than pore dilation causing changes in ion selectivity. Relatively large cations can permeate through the pores of P2X and TRP channels, but whether pore dilation is required remains poorly understood. Pore dilation in TRP channels was recently proposed to result from changes in the oligomeric state of the channel. Ion channels establish the voltage gradient across cellular membranes by providing aqueous pathways for ions to selectively diffuse down their concentration gradients. The selectivity of any given channel for its favored ions has conventionally been viewed as a stable property, and in many cation channels, it is determined by an ion-selectivity filter within the external end of the ion-permeation pathway. In several instances, including voltage-activated K+ (Kv) channels, ATP-activated P2X receptor channels, and transient receptor potential (TRP) channels, the ion-permeation pathways have been proposed to dilate in response to persistent activation, dynamically altering ion permeation. Here, we discuss evidence for dynamic ion selectivity, examples where ion selectivity filters exhibit structural plasticity, and opportunities to fill gaps in our current understanding. [ABSTRACT FROM AUTHOR]

[Display omitted] Catalytic conversion of nitrate (NO 3 −) pollutants into ammonia (NH 3) offers a sustainable and promising route for both wastewater treatment and NH 3 synthesis. Alkali cations are prevalent in nitrate solutions, but their roles beyond charge balance in catalytic NO 3 − conversion have been generally ignored. Herein, we report the promotion effect of K+ cations in KNO 3 solution for NO 3 − reduction over a TiO 2 -supported Ni single-atom catalyst (Ni 1 /TiO 2). For photocatalytic NO 3 − reduction reaction, Ni 1 /TiO 2 exhibited a 1.9-fold NH 3 yield rate with nearly 100% selectivity in KNO 3 solution relative to that in NaNO 3 solution. Mechanistic studies reveal that the K+ cations from KNO 3 gradually bonded with the surface of Ni 1 /TiO 2 , in situ forming a K-O-Ni moiety during reaction, whereas the Na+ ions were unable to interact with the catalyst in NaNO 3 solution. The charge accumulation on the Ni sites induced by the incorporation of K atom promoted the adsorption and activation of NO 3 −. Furthermore, the K-O-Ni moiety facilitated the multiple proton-electron coupling of NO 3 − into NH 3 by stabilizing the intermediates. [ABSTRACT FROM AUTHOR]

White light solid-state lighting applications still face significant challenges due to insufficient efficient and stable red light emitting materials. Therefore, a series of orange-red fluorescent materials, CaLu 2-x Mg 2 Si 3 O 12 :xCe3+ (CLMS:xCe3+; x = 0.02, 0.04, 0.06, 0.08, 0.10, 0.12) were prepared in this paper. Luminescence spectra testing revealed that the optimal concentration of Ce3+ ions in the crystal lattice is x = 0.04. At 460 nm excitation, the emission wavelength is approximately 592 nm. To enhance the thermal stability and luminescence performance of CLMS:Ce3+, the CaLu 1.96-y Me y Mg 2 Si 3 O 12 :0.04Ce3+ (Me = Sr, Ba; y = 0, 0.02, 0.05, 0.10, 0.15, 0.20) fluorescent materials were successfully prepared. It was found that phosphor's fluorescence intensity was enhanced after the introduction of Sr2+ or Ba2+ ions. Meanwhile, the phosphors were tested for thermal stability, and the emission intensities of CLMS:0.04Ce3+, CLMS:0.04Ce3+,0.10Sr2+, and CLMS:0.04Ce3+,0.05Ba2+ phosphors decreased to 77.60%, 85.53%, and 87.63% at 423 K, respectively. This proves that Sr2+ and Ba2+ ions have a positive effect on the thermal stability performance of CLMS:0.04Ce3+ phosphor. Testing of the w-LED devices, the CCT was reduced. The CRI was improved to 80.4 and 81.6 and luminescence efficiency was improved to 107.71 lm/W and 115.04 lm/W after Sr2+ or Ba2+ ions were introduced. In summary, this study demonstrates that CaLu 2-x-y Me y Mg 2 Si 3 O 12 :xCe3+ (Me = Sr, Ba) is an auspicious fluorescent material with high thermal stability, which is potentially informative for the field of white-light illumination. [ABSTRACT FROM AUTHOR]

Hydrogen production from renewable electricity offers an eco-friendly alternative to fossil fuels. Proton exchange membrane (PEM) electrolysis is a well-known method for this purpose. Studies have primarily focused on reducing costs of noble catalysts, improving efficiency, managing system degradation, and addressing membrane thinning caused by contaminated cations. However, techniques for PEM recovery post-degradation are still under development. This study investigated the effects of cations on PEM cells using artificial soft water, and analyzed two recovery methods to restore cell performance. Our findings indicate a significant rise in cell operating voltage and a decrease hydrogen production over 8 h of operation with soft water. After introducing both recovery methods, the initial operating value was reinstated in both cases. Only nitric acid treatment, however, achieved hydrogen production levels comparable to those of ultrapure water. • The cations contaminated by soft water diminished the MEA cell performance. • We investigate two recovery methods to regain cell voltage and hydrogen generation. • Nitric acid treatment could provide an effective way to recover the cell performance. [ABSTRACT FROM AUTHOR]

The synergistic effect of non-thermal plasma (NTP) induced by a dielectric barrier discharge (DBD) and CH 4 addition on turbulent swirl-stabilized NH 3 /air premixed flames in a laboratory-scale gas turbine combustor is experimentally investigated by varying the mixture equivalence ratio, φ , the mixt velocity, U 0 , and the mole fraction of CH 4 in the fuel, X f , C H 4 . It is found that the streamer intensity is significantly increased by adding CH 4 to NH 3 /air flames compared with that by adding H 2. This is because positive ions generated by CH 4 addition play a critical role in generating streamers. Such streamers intensified by CH 4 addition enhance the ammonia combustion more together with CH 4 , and hence, the lean blowout (LBO) limits of NH 3 /CH 4 /air flames are significantly extended compared with those without applying NTP. The maximum streamer intensity is found to be linearly proportional to φ ⋅ X f , C H 4 ⋅ U 0 in wide ranges of φ , X f , C H 4 , and U 0. NTP is also found to significantly reduce the amount of NO x and CO emissions simultaneously. All of the results suggest that NTP can be used more effectively with CH 4 addition to stabilize turbulent premixed NH 3 /air flames and reduce NO x /CO emissions, which is attributed to their synergistic effect on the ammonia combustion. • Synergistic effects of NTP and CH 4 addition on NH 3 /air flames were investigated. • Adding CH 4 increases streamer intensity to a greater extent compared to adding H 2. • NTP with CH 4 addition effectively stabilizes NH 3 flames and reduces NO X /CO emissions. [ABSTRACT FROM AUTHOR]

Carbonate weathering plays a significant role in regulating global carbon budget at short time scales, and thus needs to be better constrained in the context of global warming. Riverine magnesium isotopes (δ26Mg) have the potential to trace carbonate weathering intensity (CWI) but require further testing under various climatic and geological settings. Cation exchange is an important mechanism buffering river water chemistry, especially in catchments characterized by high erosion. However, field evidence on the influence of cation exchange on riverine δ26Mg is rare. In this study, spatial riverine δ26Mg variation within the Three Rivers (i.e., the Jinsha Jiang, the Lancang Jiang, and the Nu Jiang), three extremely-high-erosion catchments in the southeastern Tibetan Plateau, was investigated to address this issue. The results showed that riverine δ26Mg values present a wide range from –1.11 ‰ to –0.59 ‰ in the Jinsha Jiang, from –1.39 ‰ to –0.65 ‰ in the Lancang Jiang, and from –1.19 ‰ to –0.50 ‰ in the Nu Jiang. An inversion model was used to partition riverine Mg2+ sources and confirmed that the riverine Mg2+ budget was dominated by carbonate weathering, followed by evaporite dissolution. However, conservative mixing could not explain riverine δ26Mg variation within the Three Rivers catchments, because measured δ26Mg values (δ26Mg measured) systematically deviated from the modeled ones (δ26Mg modeled), with Δ26Mg measured–modeled (δ26Mg measured – δ26Mg modeled) up to 0.79 ‰. The positive correlations between Δ26Mg measured–modeled and suspended particulate matter (SPM) concentrations indicate Mg isotopic fractionation was related to high suspended loads owing to extremely-high erosion rates. Given the significant cation exchange capacity of SPM, Mg2+-Na+ exchange is proposed for the first time as an explanation for the observed δ26Mg variations in the rivers draining the Tibetan Plateau, although the role of carbonate precipitation could not be excluded. The strong positive correlations between riverine δ26Mg and exchangeable Mg/Na ratios in the Three Rivers further support that light Mg isotopes may be preferentially retained in the riverine exchange pool during Mg2+-Na+ exchange, driving riverine δ26Mg towards higher values. Expanding our finding to global rivers, the negative correlation between riverine δ26Mg and CWI can be interpreted by a competition between the fast dissolution of carbonates leading to the enrichment of 24Mg in waters and Mg isotope fractionation induced by cation exchange leading to the depletion of 24Mg in the residual waters. This study provides new insight into cation exchange as a regulator of riverine δ26Mg and Mg cycling, highlighting the robustness of riverine δ26Mg in tracing CWI and constraining the carbon cycle. [ABSTRACT FROM AUTHOR]

[Display omitted] Transient absorption spectroscopy, kinetics of absorption anisotropy decay for bis-aza-18-crown-6-containing di-benzylidenecyclobutanone dye and its metal complexes, and quantum chemical calculations support the presence of the first stage in the photorecoordination mechanism for the complexes with the Ba2+, Ca2+, and K+ cations. The depolarization parameters, including the radii of solvates, are deduced from the experimental data. During the barrierless photorecoordination of the complex with two Ba2+ cations, the solvent shell of the crowned Ba2+ cation undergoes the following changes: (2 + 1)MeCN, (3 + 1)MeCN, 4 MeCN. [ABSTRACT FROM AUTHOR]

Formation of super rogue ion-acoustic wave is suggested as a physical catalyst for the photochemical reaction to form the Venusian ionosphere and its mantle. Based on the observed data at Venus by Pioneer Venus Orbiter (PVO) and Venus Express (VEX), we constructed our models. The plasma model of the ionosphere consists of two positive ions fluid (H + and O +) and Maxwellian distributed ionospheric electrons. Whereas, the plasma mantle comprises streaming solar wind (SW) protons and Maxwellian SW electrons in addition to H + , O + and electrons. To define precisely the existence regions and the features of super rogue waves (SRWs), we studied numerically the effect of the plasma parameters on the instability of the propagating pulses. At Venus' ionosphere, we found that the increase of the ionospheric density ratio (n H 0 / n O 0) enhances the energy of the SRWs. Whereas, in the mantle region, we found that the nonlinearity of the system is enhanced by the effect of the streaming SW proton, through its density and velocity, which leads to amplifying of the SRWs amplitude. Thus, the enhancement in the density of ionospheric particles and SW protons contributes to enhancing the photochemical reaction in the ionosphere and the mantle region. [ABSTRACT FROM AUTHOR]

Hydrothermal dechlorination of polyvinyl chloride (PVC) is primarily performed in stainless-steel reactors prone to chlorine-induced pitting corrosion, contaminating the reaction media with Fe2+, Ni2+, and Cr2+ possibly triggering shifts in the degradation chemistry. This study investigated the single and synergistic effects of Fe2+ and Ni2+ on urea-assisted hydrothermal dechlorination of PVC under mild conditions. Significant improvement in dechlorination degree was observed at 210 °C when 5 mmol/L Fe2+ or 10 mmol/L Ni2+ was added. Furthermore, positive interaction between the cations was confirmed when the simultaneous use of 1 mmol/L Fe2+ and 0.25 mmol/L Ni2+ achieved the same catalytic performance. The presence of these ions prevented adhesive contact of PVC particles, thus limiting the mass-transfer resistance and autocatalytic effect. The experimental design revealed that dechlorination and its improvement were temperature-dependent (p < 0.0001). Ni2+ and Fe2+ exerted quadratic and linear effects, respectively, on dechlorination. The highest catalytic activity occurred in the temperature range of 217.5–222.5 °C. The results show that total concentrations of as low as 1.08 mmol/L accelerated dechlorination, indicating the inappropriateness of using steel reactors for determining intrinsic PVC degradation chemistry. However, Fe–Ni composites have the potential to be used as catalysts. [ABSTRACT FROM AUTHOR]

This article presents a new method for preparing enhanced cation exchange membrane (CEM) for water treatment using cellulose biopolymer. The preparation methodology of CEM membranes was performed in two steps; functionalization followed by fabrication. Firstly, cellulose powder was functionalized with trichloroacetic acid at different reaction times to prepare carboxymethyl tricellulose (CMTC). In the second step, the exchange memberane was fabricated via phase inversion technique using the functionalized cellulosic material and polyethylene glycol as a pore former. The prepared CEM was fully characterized using FTIR, SEM, mechanical properties, and degree of substitution (DS) determination. The morphological microstructure of the CEM membrane was investigated and discussed. The microstructural analysis by FTIR confirmed the functionalization process. The tensile values obtained at different reaction times showed the effectiveness of using trichloroacetic acid in the carboxymethylation and consequently, the stability of the obtained functionalized cellulose. The obtained DS values are higher than that of the commercial CMC and also the published values. It has been observed that the prepared CEM have an average DS value of 1.5 and therefore much higher than the DS value of commercial CMC whose DS ranges between 0.7 and 1.2. The prepared CEM membranes were morphologically investigated by SEM. The SEM photos showed homogeneously distributed small pores on the entire surface of the membrane, and its cross-section is a multilayer with large pores. [ABSTRACT FROM AUTHOR]

Efficient solar absorption and photoinduced charge separation are extremely important for solar-energy conversion on semiconductor photocatalysts. To advance the photocatalytic performance, we developed a general templated-assisted reverse cation exchange strategy to successfully synthesize hollow-structured CdS semiconductors with the textile structural surface. The crystal phase, particle morphology, optical/electrical properties, and photocatalytic performance of the as-syntheszied sample are investiagted by XRD, SEM, TEM, XPS, DSR, PL, ESR photoelectrochemical measurements, and Photocatalytic H 2 evolution test. The final CdS sample exhibits an enhanced photocatalytic hydrogen evolution rate of up to 965 μmol·g−1 h−1, 2.8 times higher than the reported CdS nanorods. Based on the experimental and characterization results, the improved photocatalytic activity of the cadmium sulfide semiconductor can be ascribed to the special hollow cubic structure with a thin shell, which can enhance the light-harvesting ability and provide abundant photocatalytic active sites for facilitating the separation of photogenerated electron/hole pairs. This synthetic strategy may pave a new path for the rational design of efficient sulfur-based semiconductor photocatalysts for solar driven H 2 production. Hollow-structured CdS cubes have been successfully synthesized via reverse cation exchange strategy for enhanced photocatalytic hydrogen production. [Display omitted] • CdS nanocubes were synthesized via templated-assisted cation exchange strategy. • CdS exhibits enhanced photocatalytic H 2 evolution rate of up to 965 μmol·g−1 h−1. • The photocatalytic performance is attributed to hollow structure of CdS nanocubes. • This strategy may pave a new way for rational design of efficient photocatalysts. [ABSTRACT FROM AUTHOR]

Element doping is a very important way to modify perovskite oxide (ABO 3) electrocatalyst. Herein, the O, B and A-site of BaCoO 3-δ are doped with F, Fe and Sr elements, respectively, which are used to investigate the effect of different doping sites on water splitting performance. The results show that doping F can generate more oxygen vacancies and increase the Co valence state. On the basis of anionic doping, when Co is partially substitute by Fe, the Fe4+ formed makes the O 2P orbital close to E F , and the bandwidth is narrower, enhancing the conductivity. Subsequently, doping Sr in A-site can change the crystal structure from P63/mmc to pm-3m, and exhibit metallic properties. This work can contribute to an effective approach for the design of perovskite oxide materials for efficient electrocatalytic water splitting. The catalytic performance of water splitting is improved by cation-anion co-doping of BaCoO 3-δ , which is attributed to the increase of oxygen vacancy, the enhance of conductivity and the transform of crystal. [Display omitted] • Anion F doping BCO increase oxygen vacancy content. • Doping of Fe for BCOF 0.2 adjusts Co valence and introduces Fe4+ as new active site. • The change crystal (P63/mmc to Pm-3m) by Sr doping is conducive to the catalytic. • DFT proves BCOF 0.2 -Sr 0.8 Fe 0.5 has metallic characteristics. [ABSTRACT FROM AUTHOR]

In this work the impacts of the disordered cation sites within MgGeN 2 and Mg 1 − x Zn x GeN 2 were computationally investigated using first principles calculations. It was found that, when Mg and Ge are equally and randomly occupying the cation sites, the band gap dramatically reduces, which well agrees to the experimental observation for its counterpart MgSnN 2. A larger disorder corresponds to a smaller band gap, due to that the disorder broadens the band and correspondingly shifts the band edges. The optical absorption is enhanced with the induced disorder, while the electric conductivity shows a monotonic decrement along with the enlarging disorder. If neglecting the electron correlation between 3 d electrons, similar band gap reduction has been observed for disordered Mg 1 − x Zn x GeN 2. However, when the electron correlation was taken into account, the disordered structures give larger band gaps than the ordered ones. The reason is so far analyzed based on the structures and bonding relations. Therefore, inducing disorder of the cation sites can tune the band gaps of MgGeN 2 and Mg 1 − x Zn x GeN 2 , which may be utilized to modulate the electronic structures, optical and conductive properties of II-IV-N 2 ternary nitride compounds so as to boost their applications, or, in the contrary, should be avoided for specific implements. [ABSTRACT FROM AUTHOR]

Broadband cyan-emitting phosphors with strong absorption between 300 and 400 nm are ideal replacements for traditional blue and green phosphors used in commercial light-emitting diodes (LEDs). In this paper, a series of K 1-x AlSiO 4 : xCe3+(x = 0.02–0.06) broadband cyan phosphors were prepared using the traditional high-temperature solid state method and the cation un-equivalent substitution strategy. It was found that the KAlSiO 4 matrix has a monoclinic structure with high symmetry. The experimental and theoretical optical band gaps of the host were 5.6 eV and 4.86 eV, respectively. After doping with Ce3+, strong absorption was observed in the near ultraviolet region. The optimum Ce3+ doping concentration in the host was 0.04 as indicated by the strongest observed emission intensity. The full width at half maximum of the emission spectra of the series of samples are all greater than 120 nm and covered the blue and green wavelength ranges (370–600 nm). The luminous intensity of the K 0 · 96 AlSiO 4 : 0.04Ce3+phosphor at 150 °C was 91.1% of that at room temperature, and the Gaussian peak of the emission spectrum slightly broadened. These results were also combination with theoretical DFT calculations. It was found that the phosphor had very good thermal stability and rigidity. The phosphor was also mixed with a commercial red phosphor, interfaced with a UV chip and packaged into an LED. This LED was characterized and had a color rendering index greater than 90 across a broad range of drive currents. This work highlights the utility of the fabricated phosphor as means of simplifying white-light LED fabrication. [ABSTRACT FROM AUTHOR]

Perovskites usually have random distribution of cations at corresponding A and B positions or double A-site or B-site cation orderings. In this work, we could achieve triple A-site ordering through a combination of particular cations: Dy, Mn, and Zn. Dy 2 MnZnMn 4− x Ti x O 12 perovskites with x = 1 and 2, belonging to a family of A-site columnar-ordered A 2 A′A″B 4 O 12 quadruple perovskites, were synthesized by a high-pressure, high-temperature method at 6 GPa and about 1700 K. Samples with x = 0 and 3 consisted of mixtures of other phases. The crystal structures of the x = 1 and 2 samples were investigated by powder synchrotron X-ray diffraction. A nearly perfect triple A-site cation ordering was realized in the x = 1 sample, where Dy3+ cations were located in 10-fold-coordinated A sites, Mn3+ cations were located in a square-planar A′ site, and Zn2+ cations were located in a tetrahedral A″ site. On the other hand, some degrees of antisite disorder took place in the x = 2 sample. Both compounds crystallize in space group P 4 2 / nmc (No. 137) at room temperature with a = 7.37838 Å and c = 7.81438 Å (x = 1) and a = 7.49153 Å and c = 7.68402 Å (x = 2). Both compounds exhibit a ferrimagnetic order at T C = 26 K (x = 1) and T C = 41 K (x = 2). T C of the x = 2 sample is higher than that of the x = 1 sample despite a larger amount of non-magnetic Ti4+ cations and some degrees of antisite disorder. The magnetization at 5 K and 70 kOe for polycrystalline samples reached values of about 11.7μ B for the x = 1 sample and about 11.1μ B for the x = 2 sample. [ABSTRACT FROM AUTHOR]

[Display omitted] Complexation with strong competitors (i.e. , Ba2+, Ca2+, and K+) shortens the length of the chromophore in bis-aza-18-crown-6-containing dienones of 2,4-dibenzylenecyclo-butanone series due to the weakening of π–LP conjugation as well as disruption of the quinonoid structure in the ground state of the dye (LP is the lone electron pair of the crown nitrogen atom). In the excited state, recoordination of metal cations in the crown cavity takes place. The complexation as well as the newly discovered photorecoordination in these metal complexes may be used to control the chromophore properties of the samples. [ABSTRACT FROM AUTHOR]

Cation/proton antiporters (CPAs) regulate cells' salt concentration and pH. Their malfunction is associated with a range of human pathologies, yet only a handful of CPA-targeting therapeutics are presently in clinical development. Here, we discuss how recently published mammalian protein structures and emerging computational technologies may help to bridge this gap. [ABSTRACT FROM AUTHOR]

Accelerator mass spectrometry (AMS) measurements of 10Be almost invariably utilize the BeO- molecular negative ion. Molecular ions experience the process of 'Coulomb explosion' when dissociated by a stripper in the high-voltage terminal of a tandem accelerator, resulting in energy and angular spread of the subsequently-accelerated positive ions. In this paper, the phenomenon is studied in detail for both foil and gas stripping of BeO, using the 14UD pelletron accelerator at the Australian National University operating at 8.5 MV. In a companion paper by Suter et al. [1], a model is developed to interpret, inter alia, these results. [ABSTRACT FROM AUTHOR]

An adjustable radio frequency (RF) positive hydrogen ion source is designed in Huazhong University of Science and Technology (HUST) to provide ion beam with adaptive beam current and beam energy for neutral beam injection (NBI) related material research. The ion source aims to produce 10–20 keV positive hydrogen ion beam with total current of 50–125 mA. This paper investigates the design of the RF ion source including RF driver via inductively discharge mechanism and the extractor which is designed and optimized, including ion beam optics simulation, thermal analysis and power supply analysis. The vacuum analysis of the source is carried out as well. [ABSTRACT FROM AUTHOR]

Understanding the ion chemistry in flames is crucial for developing ion sensitive technologies for controlling combustion processes. In this work, we measured the spatial distributions of positive ions in atmospheric-pressure burner-stabilized premixed flames of ethylene/oxygen/argon mixtures in a wide range of equivalence ratios ϕ = 0.4÷1.5. A flame sampling molecular beam system coupled with a quadrupole mass spectrometer was used to obtain the spatial distributions of cations in the flames, and a high mass resolution time-of-flight mass spectrometer was utilized for the identification of the cations having similar m/z ratios. The measured profiles of the flame ions were corrected for the contribution of hydrates formed during sampling in the flames slightly upstream the flame reaction zone. We also proposed an updated ion chemistry model and verified it against the experimental profiles of the most abundant cations in the flames. Our model is based on the kinetic mechanism available in the literature extended with the reactions for C 3 H 5 + cation. Highly accurate W2-F12 quantum chemical calculations were used to obtain a reliable formation enthalpy of C 3 H 5 +. The model was found to reproduce properly the measured relative abundance of the key oxygenated cations (viz., CH 5 O+, C 2 H 3 O+) in the whole range of equivalence ratios employed, and the C 3 H 5 + cation abundance in the richest flame with ϕ=1.5, but significantly underpredicts the relative mole fraction of C 3 H 3 +, which becomes a key species under fuel-rich conditions. Apart from this, several aromatic and cyclic C x H y cations dominating under fuel-rich conditions were identified. We also considered the most important directions for the further refinement of the mechanism. [ABSTRACT FROM AUTHOR]

Exhaled ammonia (NH 3) is an essential noninvasive biomarker for disease diagnosis. In this study, an acetone-modifier positive photoionization ion mobility spectrometry (AM-PIMS) method was developed for accurate qualitative and quantitative analysis of exhaled NH 3 with high selectivity and sensitivity. Acetone was introduced into the drift tube along with the drift gas as a modifier, and the characteristic NH 3 product ion peak of (C 3 H 6 O) 4 NH 4 + (K 0 = 1.45 cm2/V·s) was obtained through the ion-molecule reaction with acetone reactant ions (C 3 H 6 O) 2 H+ (K 0 = 1.87 cm2/V·s), which significantly increased the peak-to-peak resolution and improved the accuracy of exhaled NH 3 qualitative identification. Moreover, the interference of high humidity and the memory effect of NH 3 molecules were significantly reduced via online dilution and purging sampling, thus realizing breath-by-breath measurement. As a result, a wide quantitative range of 5.87–140.92 μmol/L with a response time of 40 ms was achieved, and the exhaled NH 3 profile could be synchronized with the concentration curve of exhaled CO 2. Finally, the analytical capacity of AM-PIMS was demonstrated by measuring the exhaled NH 3 of healthy subjects, demonstrating its great potential for clinical disease diagnosis. [Display omitted] • Acetone-modifier positive photoionization IMS for high selective monitoring of exhaled ammonia. • Online dilution and purging sampling method to eliminate the ammonia adsorption and interference of high moisture. • Breath-by-breath measurement of exhaled ammonia for clinical breath analysis. [ABSTRACT FROM AUTHOR]

The bioceramic market is expected to grow at a compound annual growth rate (CAGR) of about 7% within 2022–2027. In this regard, hydroxyapatite (HA) is highly recommended as a leading material for the development of the third generation of bioceramics due to its intrinsic osteoconduction, osteoinduction, and osteogenesis properties. However, the use of synthetic HA is currently limited due to the unfavourable mechanical and morphological issues on cell infiltration and interaction. To overcome these obstacles, various strategies have been proposed, especially through a wide range of cationic and anionic doping. Among them, cationic doping seems to have a set of significant benefits over pure HA due to the significant microstructural modifications, and thus this strategy represents a major step forward in improving the inherent drawback of bioceramic implants, i.e., their poor mechanical properties. Accordingly, this review aims to highlight candidates with potential for further clinical development of the third-generation bioceramics through doping HA with s -, p -, d -, and f -blocks cations and to explore their potential applications in bone regeneration and void filling. We first introduce the concept of bone grafting and its classifications, and then we discuss bioceramic-based bone grafting materials. Subsequently, mono-, dual-, and multi-cationic substitutions in HA and their performances, especially in biomedical applications, are comprehensively reviewed. Finally, the challenges and prospects of ionic substitution in HA, particularly in lanthanoids- and actinoids-containing HA-based ceramics are proposed. [Display omitted] [ABSTRACT FROM AUTHOR]

Transparent Pr3+ doped Ca 1-x Gd x F 2+x (x = 0, 0.01, 0.03, 0.06, 0.10, 0.15) polycrystalline ceramics with fine-grained microstructures were prepared by the hot-pressing method. The dependence of microstructure, optical transmittance, luminescence performances and mechanical properties on the Gd3+ concentrations for Pr3+:Ca 1-x Gd x F 2+x transparent ceramics were investigated. The Gd3+ ions show positive effects on the microhardness of Pr3+:Ca 1-x Gd x F 2+x transparent ceramics as a result of the decrease in the grain sizes. Excited by the Xenon lamp of 444 nm, typical visible emissions located at 484 nm, 598 nm and 642 nm were observed. Furthermore, the incorporation of Gd3+ ions can greatly enhance the photoluminescence performance owing to the improvement in the concentration quenching effect. The quenching concentration of Pr3+ ions in CaF 2 transparent ceramics increased to 1 at.% as a result of the positive effect of Gd3+ codoping. The energy transfer mechanism of Pr3+ in the Pr3+:Ca 1-x Gd x F 2+x transparent ceramics has been investigated and discussed. [ABSTRACT FROM AUTHOR]

Zwitterionic, cationic, and anionic per- and polyfluoroalkyl substances (PFAS) were investigated in freshwater sediments of Canada, including sites impacted by aqueous film-forming foams (AFFFs). The first step of the project involved optimizing the extraction method with equilibrated sediment-water-AFFF samples. The analytical method had acceptable linearity, accuracy, and precision in the sediment matrix, and was further validated with NIST SRM 1936. In the second step of the project, the method was applied to determine over 70 target PFAS in field-collected sediments (n = 102). At federal contaminated sites of Ontario, Newfoundland, and Québec (ditches and creeks at international airports with fire training or fire equipment testing areas), summed PFAS averaged 30 ng/g (maximum of 160 ng/g) with molecular patterns dominated by perfluorooctane sulfonate (maximum PFOS: 84 ng/g). Based on maximum observed concentrations >10 ng/g, other key PFAS at these AFFF-impacted sites included negative ion mode perfluorohexane sulfonate, perfluorohexane sulfonamide, fluorotelomer sulfonates (6:2 FTS and 8:2 FTS) and 5:3 fluorotelomer acid, and positive ion mode N-dimethylammoniopropyl perfluorohexane sulfonamide and 5:1:2 fluorotelomer betaine. In contrast, environmental sediment samples collected at a larger spatial scale (province-wide survey) were characterized by low ΣPFAS (generally <1 ng/g), with PFOS/PFOA below chronic toxicity thresholds for aquatic life. [Display omitted] • Methods were tested for a wide breadth of PFAS using sediment-water-AFFF experiments. • The method had improved recoveries and LODs for screening ESI+ PFAS in sediments. • ΣPFAS reached 160 ppb at federal contaminated sites, with PFOS often dominating. • ESI+ PFHxSAm, 5:1:2 FTB, & 6:2 FTAB ranked within the top 15 most abundant PFAS. • PFAS levels were extremely low at other sites (<1 ppb), except near airports. [ABSTRACT FROM AUTHOR]

[Display omitted] • FTIR and XPS evidence of the chemical changes on Nujol wet calcite surfaces by brines rich in Ca and Mg. • Minimal residual oil on calcite surface conditioned with LS water diluted 75 times and rich in Mg and Ca. • AFM images show changes in Nujol/calcite upon interaction with LS water diluted 75 times and rich in Mg and Ca. • FTIR indicates more effective oil removal in Mg-rich brines. • Upon treatment with LSrich in Mg(Ca), the contact angle decreases to 160° (145°). The transition from an oil-wet to a water-wet calcite surface is crucial for enhanced oil recovery and can be influenced by low salinity (LS) water. While previous studies have explored the effects of LS water or single-ion solutions on rock-oil interfaces, the impact of excess active ions in LS on wettability remains uncertain. This work aims to determine whether Ca2+ or Mg2+ ions are more effective in altering wettability and oil recovery and to identify the optimal salinity for the Nujol-calcite system. Oil-wet calcite surfaces were characterized before and after treatment with LS water rich in Ca2+ or Mg2+, diluted 25, 50, 75, and 100 times (LS25, LS50, LS75, and LS100) compared to formation water. LS75, with a salinity of 3173 ppm, was the most effective for oil removal, achieving 81 % oil recovery. LS75Mg removed 75 % of the oil, and LS75Ca removed 65 %, as confirmed by ATR-FTIR and contact angle measurements. LS75Mg also showed a larger contact angle (∼160°) than LS75Ca (145°), indicating better oil detachment. Surface changes, including dissolution and oil fragmentation (especially with LS75Mg and LS100Mg), were observed via topographical analysis. XPS results revealed higher Na+, Cl−, and Mg2+ levels on treated surfaces, with LS50Mg showing the most significant reduction of surface carbon content. While a combination of Ca2+ and Mg2+ at optimal salinity enhances oil removal, excess Mg2+ alone is less effective. The competitive mechanisms behind oil removal and their dependence on brine composition are discussed. [ABSTRACT FROM AUTHOR]

The position of the charge transfer (CT) band is influenced by many factors. The electronegativity of matrix cation plays a dominating role in the position shift of O2-→Eu3+ CT band in Re 2 Zr 2 O 7 (Re = Sc, Lu, Y, Gd, La). In this work, we carry out four series of experiments. In Re 2 Zr 2 O 7 (Re = Sc, Lu, Y, Gd, La): 5 % mol Eu3+ microcrystals, the O2-→Eu3+ CT bands shift to the long-wavelength direction (red-shifted) from Sc3+, Lu3+, Y3+, Gd3+ to La3+, which is due to the decreasing electronegativity of cations. In La 2 Zr 2 O 7 : x% mol Eu3+ (x = 0.5, 1, 3, 5) microcrystals, the O2-→Eu3+ CT bands are red-shifted with the increase of Eu3+ ion concentration. In La 2 Zr 2 O 7 : 5 % mol Eu3+, 10 % mol M3+ (M = Sc, Lu, Y, Gd) microcrystals, the O2-→Eu3+ CT bands shift to the short-wavelength direction (blue-shifted) because the electronegativity of doped M3+ ion is larger than that of La3+ ion. Similarly, in Lu 2 Zr 2 O 7 : 5 % mol Eu3+, 10 % mol M3+ (M = Sc, Y, Gd, La), the experimental results further confirm the influence rule of cation electronegativity on the position of the O2-→Eu3+ CT bands. Particularly, tunable CT band positions (246–290 nm) are achieved by sifting the cations with suited electronegativity and concentration, which can match to different UV excitation applications. It is of great significance to study the shifting rule of O2-→Eu3+ CT bands in Re 2 Zr 2 O 7. • The relationship between electronegativity of matrix cation and the position of O2-→Eu3+ CT band in Re 2 Zr 2 O 7. • Tunable CT band positions (246–290 nm) are achieved by sifting cations with suited electronegativity and concentration. • The result is of reference significance for studying the CT band of other pyrochlore rare earth zirconates. [ABSTRACT FROM AUTHOR]

• A new 3D organic-inorganic complex was isolated by a one-pot self-assembly strategy. • Compound 1 presents 3D framework formed by linking [(PIIIO 3) 2 Mo 5 O 15 ]6− clusters with protonated [Him]+ cations. • Compound 1 shows good electrocatalytic activity for the reduction of H 2 O 2. • 1 -CPE exhibits fast response, wide detection range, and high sensitivity for H 2 O 2 detection. The rational design of crystalline materials coupled with polyoxometalate as electrocatalyst is an effective strategy for the sensitive electrochemical detection of H 2 O 2. Here, a new organic-inorganic hybrid, H 2 (NH 4) 3 [Him][(PIIIO 3) 2 Mo 5 O 15 ]·4H 2 O (1) (im=imidazole), was isolated by a one-pot self-assembly strategy. Structural analysis indicates that compound 1 adopts a three-dimensional (3D) supramolecular structure based on the Strandberg-type [(PIIIO 3) 2 Mo 5 O 15 ]6− clusters linked with protonated [Him]+ cations via hydrogen bond interactions. Electrochemical studies reveal that compound 1 exhibits the multi-electron redox processes ascribed to MoVI centers, and has good electrocatalytic activity in the reduction of H 2 O 2. By utilizing compound 1 as electrode material, the designed electrode showed excellent electrochemical performance towards H 2 O 2 detection, including a wide linear range (50–450 μM), high sensitivity of 0.085 μA·μM−1 and a low detection limit of 3.52 μM, as well as good selectivity and stability. A novel inorganic-organic hybrid presents a 3D supramolecular framework constructed from the [(PIIIO 3) 2 Mo 5 O 15 ]6− clusters and protonated [Him]+ cations, which shows electrochemical sensing performance for the detection of H 2 O 2. [Display omitted] [ABSTRACT FROM AUTHOR]

• The photocatalytic degradation of MB by Sr-Au-ZnO has been investigated. • Sr-Au-ZnO was more effective for MB degradation than commercial catalysts. • GC-MS analysis predicted the intermediates formed during photodegradation. Any of several processes that break down dyes, ideally into harmless chemicals, is referred to as industrial dye degradation. Water waste discharges various colors, particularly those used in the textile industry like methyl red and methylene blue, into ecosystems, leading to significant pollution of the water supply. Under UV-A irradiation, the photocatalytic degradation of a commercial heterocyclic aromatic chemical molecule called methylene blue (MB) has been investigated using an aqueous solution of Sr-Au-ZnO as a photocatalyst. Research has been done on how different process characteristics affect the degradation process. For the mineralization of MB dye under UV-A light, it was found that the optimized Sr-Au-ZnO was more effective than commercial catalysts (ZnO and benchmark photocatalyst Degussa P25), single metal dopants (Sr-ZnO, Au-ZnO), and prepared ZnO. The effects of operational parameters, such as the quantity of photocatalyst, dye concentration, and starting pH, on the photo-mineralization of MB are analyzed before optimal values are given. Chemical oxygen demand (COD) measurements have confirmed that MB is mineralized. Using GC–MS analysis, the intermediates produced during photodegradation were predicted, and an appropriate degradation pathway was suggested. This procedure can be used for treating wastewater from sewage since optimized Sr-Au-ZnO is reusable. [Display omitted] [ABSTRACT FROM AUTHOR]

High-dose systemic prednisolone is the cornerstone treatment of many autoimmune- and inflammatory diseases. Since prednisolone shows non-linear protein binding at higher serum concentrations, quantification of the unbound prednisolone concentration is important to understand prednisolone pharmacokinetics. We developed a liquid chromatography-tandem mass spectrometry (LC-MS/MS) assay to quantify protein-unbound prednisolone in serum. Protein-unbound prednisolone was obtained using an equilibrium dialysis technique. Prednisolone was extracted from the dialysate using methyl tert -butyl ether. After evaporation to dryness, the organic phase residue was reconstituted and ready for injection onto the LC-MS/MS. Prednisolone was analysed by selected reaction monitoring with MS/MS operating in positive ion mode. The equilibrium between bound and unbound prednisolone was stable after 24 h. The calibration model for prednisolone in serum ranged from 0.25 to 811 µg/L and had an average linearity of 0.998. The coefficient of variation (CV) for precision at the lower limit of quantification was ≤ 4.3 % and for the other quality control samples ≤ 7.8 %. Prednisolone protein binding showed no significant degradation after 30 months of storage at −80 °C and was not influenced by multiple cycles of freezing and thawing. The recovery for the tested matrix effects in serum ranged from 85 % to 115 % (CV 10.3 %) and throughout the validation, no carry-over was observed. An LC-MS/MS assay for prednisolone in serum was developed and validated, with a successful equilibrium dialysis technique to obtain protein-unbound prednisolone prior to quantification. This assay is considered suitable for pharmacokinetic studies. [ABSTRACT FROM AUTHOR]

• A method was developed and validated for the determination of Cedazuridine, Gemcitabine and 2′, 2′-Difluorodeoxyuridine. • The method was applied to quantify Cedazuridine, Gemcitabine and 2′, 2′-Difluorodeoxyuridine in mouse plasma samples. • Effects of Cedazuridine on the bioavailability and metabolism of Gemcitabine were studied. • Cedazuridine improves oral bioavailability of Gemcitabine by reducing cytidine deaminase metabolism. Gemcitabine (GEM) has been extensively applied in treating various solid tumors. Nonetheless, GEM is easily metabolized in vivo by cytidine deaminase (CDA) to inactive 2′, 2′-Difluorodeoxyuridine (dFdU) results in a low oral bioavailability, which limit its clinical application. It was found that Cedazuridine (CDZ) could effectively inhibit the deamination of the drug by CDA, and its combination with GEM might affect the oral bioavailability of GEM. To investigate the effect of CDZ on the bioavailability and metabolism of GEM after oral administration, an HPLC-MS/MS method was developed for the simultaneous determination of CDZ, GEM, and its metabolite dFdU in mouse plasma. The separation of CDZ, GEM and dFdU was performed on an acetonitrile and water containing 0.1 % formic acid in isocratic elution on a COSMOSIL® 5C18-PAQ packed column (150 × 4.6 mm, 2.6 µm). The three analytes and the internal standard were determined in a multiple reaction monitoring (MRM) mode under positive ion conditions. The three analytes showed good linearity in the range of 5–10,000 ng/mL, and all quality control samples showed good precision and accuracy. The method was successfully applied to the pharmacokinetic study of GEM with CDZ. The results showed that CDZ significantly improved the oral bioavailability of GEM by reducing the metabolism of CDA to GEM in mice, which will provide a reference for the combined application of GEM and CDZ in clinical therapy. [ABSTRACT FROM AUTHOR]

[Display omitted] • Using hydrazine hydrate as the reducing agent, FeS 2 @rGO-H/S material can be produced by hydrothermal reduction. • FeS 2 @rGO-H/S delivers high specific capacity and excellent cycling stability. • Incorporation of FeS 2 effectively mitigates lithium polysulfides dissolution. Lithium-Sulphur (Li-S) batteries were one of the most promising batteries for large-capacity energy storage and electric vehicles. However, the shuttle effect of polysulfide lithium, the volume expansion and the poor electrical conductivity of sulfur in the process of charge and discharge restricted its application. In this paper, the authors constructed a composite of FeS 2 @rGO-H as the carrier of sulfur. XRD, Raman, XPS SEM and BET analyses were used to characterize the obtained samples. The results showed that the prepared reduced graphene (rGO-H) obtained by the hydrazine hydrate and hydrothermal reduction method had a very high degree of reduction, which helped to accelerate the rapid transport of lithium ions in the positive sulfur electrode. And the FeS 2 fixed on rGO-H could inhibit the "shuttle effect" of polysulfide lithium and improved the cycling performance of sulfur positive electrode. Thus, the obtained composite FeS 2 @rGO-H/S exhibited excellent electrochemical properties: its initial discharge capacity was up to 1529.2mAh/g at 0.1C, which was 91 % of the theoretical specific capacity of S. Even at a high rate of 5C, it still had a reversible discharge capacity of 629.9mAh/g. After 200 cycles at 1C, the discharge capacity attenuated from 1037.3 to 784.7mAh/g. [ABSTRACT FROM AUTHOR]

[Display omitted] • Inoculated fermentation inhibited the growth of spoilage and pathogenic bacteria. • L. plantarum YR07 significantly affects the metabolic profiles. • Regulation of metabolites was most significant in co-fermentation. • Five potential fermentation biomarkers were identified. • S. xylosus Y-18 downregulated fatty acid degradation pathway. Lactiplantibacillus plantarum and Staphylococcus xylosus are common starters for fermented sausages. Several studies have demonstrated the impact of these two strains on the quality of fermented sausages. However, the mechanism underlying the effects of these two microorganisms on co-cultivation in sausages remains unclear. This study aimed to investigate the effects of inoculation with various combinations of starters on the microbial communities and metabolic profiles of fermented sausages. High-throughput sequencing revealed that, during sausage fermentation, Firmicutes was the dominant bacterial phylum, and the primary microorganisms were Lactococcus , Staphylococcus , Lactobacillus , and Pseudomonas. On the last day of fermentation, the highest abundance of Staphylococcus was observed in the co-inoculation group. Furthermore, inoculated fermentation effectively inhibited the growth of pathogenic and spoilage bacteria. Metabolomic analysis of the four groups of samples identified 208 metabolites in positive ion mode and 109 in negative ion mode. A total of 31 differential metabolites were identified (P < 0.05, variable importance in the projection >1.5), primarily benzene and substituted derivatives, carboxylic acids and derivatives, and fatty acyls. Five crucial differential metabolites (subaphylline, naringenin, 1-hexadecanol, beta-alanyl-L-lysine, and 3′-AMP) were identified as potential biomarkers for fermented sausages. Key differential metabolite metabolic pathways indicated that L. plantarum YR07 dominated in metabolite regulation during sausage fermentation, and S. xylosus Y-18 downregulated the fatty acid degradation pathway, which also affected the metabolism of fermented sausages. Co-cultivation of the two bacteria exhibited a synergistic effect on the metabolism of the fermented sausages. This study offers further insights into improving the quality of fermented sausages, thereby establishing a theoretical foundation for the production of excellent fermenters. [ABSTRACT FROM AUTHOR]

Materials with antipolar-polar transformation are attractive for their large functional responses. However, the antipolar state remains controversial in many materials. For example, recent studies on archetypical antiferroelectric (AFE) materials indicate an incomplete compensation of antiparallel dipoles, which prompted their alternative definition as ferrielectric. Here, we investigated the origin of the ferrielectric (FIE) state in a classical AFE material using X-ray and neutron total scattering. We show that the FIE state arises from 3-dimensional modulation of the cation-centric electric dipoles, which can be viewed as periodic arrangement of 180° twin boundaries with non-Ising characteristics. [Display omitted] [ABSTRACT FROM AUTHOR]

• CUST-541, CUST-542 and CUST-543 were successfully synthesized in-situ with excellent water and thermal stability. • CUST-541, CUST-542 and CUST-543 showed good anti-interference and recyclability in detecting Metronidazole, Nitrofurantoin, Furbenicillin, cations (Ag+, Fe3+, Cu2+), anions ([Fe(CN) 6 ]4-, Cr 2 O 7 2-, and CrO 4 2-). • Fluorescence quenching is caused by a combination of energy competitive absorption and resonance energy transfer. It is essential to explore methods for detecting environmental pollutants to address the issue of pollution. Three novel Cd-based MOFs fluorescent sensors, namely [Cd 1.5 (TPT) 0.5 (BTC)H 2 O·DMF] (CUST-541), [Cd(TPT)(5-NTPA)·H 2 O] (CUST-542), and [Cd 1.5 (TPTZ) 1.5 (BTC)H 2 O·H 2 O] (CUST-543) (TPTZ = 2,4,6-Tris(2-pyridyl)-1,3,5-triazine; H 3 BTC = Trimesic acid; 5-NTPA = 5-Nitroisophthalic acid; TPT = 2,4,6-tri-4-pyridyl-1,3,5-triazine) were successfully compounded under solvent thermal conditions. Single-crystal X-ray diffraction analyses revealed that the crystal structures of CUST-541 and CUST-542 were found to have similar C2/c space group, while CUST-543 was in the monoclinic system with the P2/c space group. We have tested different types of antibiotics, cations, and anions, and found that the MOFs have very low LOD for NFT, Cu2+, and CrO 4 2-. The LODs of NFT, Cu2+, and CrO 4 2- for crystals are 0.53 μM, 0.38 μM, and 2.36 μM, respectively. Furthermore, this method is characterized by its low detection limit, rapid response time, wide linear range, and reproducible luminescence sensitivity. Three novel Cd-MOFs, namely CUST-541, CUST-542 and CUST-543 , were synthesized using a solvothermal synthesis method. All three crystals demonstrated excellent structural stability, recyclability, selectivity, and sensitivity by fluorescence sensing experiments. [Display omitted] [ABSTRACT FROM AUTHOR]

• The fine structure of red beryl from Utah, USA was analyzed using anomalous X-ray scattering measurements at the Fe K -absorption edge. The obtained Fe distribution map indicated the presence of Fe at the octahedral site. Ordinary single-crystal X-ray diffraction also performed to analyze the fine structure of red beryl and the results indicated that alkali cations were located in the interstitial area produced by the six-membered ring of SiO 4 , as well as partial substitution at the parent octahedral Al site by cations such as those of Fe, Mn, and Mg. X-ray near-edge absorption structural analysis for Mn and Fe indicated that they existed predominantly in the trivalent state as Mn3+ and Fe3+, respectively. The fine structure of red beryl from Utah, USA was analyzed using anomalous X-ray scattering measurements at the Fe K -absorption edge. The resultant Fe distribution map indicated the presence of Fe at the octahedral site. Ordinary single-crystal X-ray diffraction indicated that alkali cations were located in the interstitial area produced by the six-membered ring of SiO 4, as well as partial substitution at the parent octahedral Al site by cations such as those of Fe, Mn, and Mg. X-ray near-edge absorption structural analysis for Mn and Fe indicated that they existed predominantly in the trivalent state as Mn3+ and Fe3+, respectively. Based on the results obtained from electron probe microanalysis and laser-induced breakdown spectroscopy, the structural formula of red beryl from Utah, USA was concluded to be (Na 0.006 K 0.019 Rb 0.009 Cs 0.009)Be 3 (Al 1.797 Fe 0.140 Mn 0.036 Mg 0.015 Zn 0.011)Si 6 O 18. [ABSTRACT FROM AUTHOR]

[Display omitted] Reactions between LnCl 3 , AlCl 3 and a crown ether (18-crown-6 and dibenzo18-crown-6) in MeCN have led to the isolation of four new lanthanoid halide crown ether complexes, [PrCl(μ-Cl)(18-crown-6)] 2 [AlCl 4 ] 2 ·2MeCN (1), [YbCl 2 (18-crown-6)][AlCl 4 ]·MeCN (2), and [LnCl(μ-Cl)(dibenzo18-crown-6)} 2 ][AlCl 4 ] 2 ·6.5MeCN (Ln = La, 3 , Pr, 4). 1 was also obtained by unexpected halide transfer on addition of 18-crown-6 (18C6) to MeCN solutions of [Pr(MeCN) 9 ][AlCl 4 ] 3. Complexes 1 , 3 and 4 have dinuclear chloride-bridged nine-coordinate cations, and 2 has an eight coordinate mononuclear cation. [ABSTRACT FROM AUTHOR]

We show that the energy of the s2 → s1p1 transitions (1S 0 → 3P 1 and 1S 0 → 1P 1) of Te4+ in solids is reproduced using the model that was introduced earlier for other s2 cations like Tl+, Sn2+, Pb2+, Sb3+ or Bi3+ in up to 236 compounds. This model is based on the calculation of the nephelauxetic function he at the crystal site occupied by the s2 cation in the solid. This calculation is today achievable in a routine manner from crystal structure data. Concerning Bi3+, the model was applied to 1S 0 → 3P 1 transitions only. It is extended here to 1S 0 → 1P 1 transitions. We also show that the energies of these transitions can be approximated from the charge carried by the s2 cations in the compounds and a parameter accounting for the degree of covalency of the cation-ligand binding. • The C transitions of Bi3+ in solids are predicted using the he model. • The s2.→ s1p1 (A and C) transitions of Te4+ in solids are predicted using the he model. • The action of the nephelauxetic effect on Tl+, Sn2+, Pb2+, Sb3+, Bi3+ and Te4+ is analyzed. • The position of A and C states of ns2 cations vary with the charge of the cations. [ABSTRACT FROM AUTHOR]