Genome-wide association analysis of fleece traits in Northwest Xizang white cashmere goat.

Northwest Xizang White Cashmere Goat (NXWCG) is the first new breed of cashmere goat in the Xizang Autonomous Region. It has significant characteristics of extremely high fineness, gloss, and softness. Genome-wide association analysis is an effective biological method used to measure the consistency and correlation of genotype changes between two molecular markers in the genome. In addition, it can screen out the key genes affecting the complex traits of biological individuals. The aim of this study was to analyze the genetic mechanism of cashmere trait variation in NXWCG and to discover SNP locus and key genes closely related to traits such as superfine cashmere. Additionally, the key genes near the obtained significant SNPs were analyzed by gene function annotation and biological function mining. In this study, the phenotype data of the four traits (cashmere length, fiber length, cashmere diameter, and cashmere production) were collected. GGP_Goat_70K SNP chip was used for genotyping the ear tissue DNA of the experimental group. Subsequently, the association of phenotype data and genotype data was performed using Gemma-0.98.1 software. A linear mixed model was used for the association study. The results showed that four fleece traits were associated with 18 significant SNPs at the genome level and 232 SNPs at the chromosome level, through gene annotated from Capra hircus genome using assembly ARS1. A total of 107 candidate genes related to fleece traits were obtained. Combined with Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis, we can find that CLNS1A, CCSER1, RPS6KC1, PRLR, KCNRG, KCNK9, and CLYBL can be used as important candidate genes for fleece traits of NXWCG. We used Sanger sequencing and suitability chi-square test to further verify the significant loci and candidate genes screened by GWAS, and the results show that the base mutations loci on the five candidate genes, CCSER1 (snp12579, 34,449,796, A → G), RPS6KC1 (snp41503, 69,173,527, A → G), KCNRG (snp41082, 67,134,820, G → A), KCNK9 (14:78472665, 78,472,665, G → A), and CLYBL (12: 9705753, 9,705,753, C → T), significantly affect the fleece traits of NXWCG. The results provide a valuable basis for future research and contribute to a better understanding of the genetic structure variation of the goat.

A novel "Turn-Off-On" fluorescent probe for specific sequential detection of Cu2+ and glyphosate and its application in biological imaging.

As common pollutants, Cu2+ and glyphosate pose a serious threat to human health and the ecosystem. Herein, a fluorescent probe (E)-7-(diethylamino)-N'(4-(diethylamino)-2-hydroxybenzyl)-2-oxo-2H chromophore-3-carbazide (DDHC) was designed and synthesised for the sequential recognition of Cu2+ and glyphosate. DDHC has the advantages of a short synthesis path, easy-to-obtain raw materials, good anti-interference ability, and strong stability. The interaction of the DDHC-Cu2+ complexes with glyphosate allows the amino and carboxyl groups in glyphosate molecules to coordinate with Cu2+ strongly, competing for the Cu2+ in the DDHC-Cu2+ complexes and releasing the DDHC, leading to the recovery of fluorescence. The recognition was further validated through Job's plot, HRMS, and DFT calculations. In addition, the successful recovery of Cu2+ and glyphosate in different environmental water samples fully demonstrates the practical application potential of DDHC. Especially, DDHC has low cytotoxicity and can enter zebrafish and HeLa cells, rapidly reacting with Cu2+ and glyphosate in the body, generating visible fluorescence quenching and recovery phenomena, achieving real-time visual monitoring of exogenous Cu2+ and glyphosate in zebrafish and HeLa cells. The targeting and dual selectivity of DDHC greatly enhance its potential application value in the field of detection, providing important theoretical support for studying the fate of multiple pollutants in the environment.

Solvent-Induced In(III)-MOFs with Controllable Interpenetration Degree Performing High-Efficiency Separation of CO2/N2 and CO2/CH4.

Herein, three In(III)-based metal-organic frameworks (In-MOFs) with different degrees of interpenetration (DOI), namely In-MOF-1, In-MOF-2, and In-MOF-3, constructed by In3+ and Y-shaped ligands 4,4',4″-s-triazine-2,4,6-triyltribenzoate (H3TATB), are successfully synthesized through the ionothermal/solvothermal method. Subsequently, three novel In-MOFs, including noninterpenetration polycatenation, 2-fold interpenetrated, and 4-fold interpenetrated structure, are employed as the platform for systematically investigating the separation efficiency of CO2/N2, CO2/CH4, and CO2/CH4/N2 mixture gas system. Among them, In-MOF-2 shows the highest CO2 uptake capacities at 298 K and simultaneously possesses the low adsorption enthalpy of CO2 (26.4 kJ/mol at low coverage), a feature desirable for low-energy-cost adsorbent regeneration. The CO2/N2 (v: v = 15/85) selectivity of In-MOF-2 reaches 37.6 (at 298 K and 1 bar), also revealing outstanding selective separation ability from flue gases and purifying natural gas, affording a unique robust separation material as it has moderate DOI and pore size. In-MOF-2 shows exceptional stability and feasibility to achieve reproducibility. Aperture adjustment makes In-MOF-2 a versatile platform for selectively capturing CO2 from flue gases or purifying natural gas.

Ni-Substituted Sr2FeMoO6-δ as an Electrode Material for Symmetrical and Reversible Solid-Oxide Cells.

This work develops a novel perovskite Sr2FeNi0.35Mo0.65O6-δ (SFN0.35M) simultaneously using as a fuel electrode and oxygen electrode in a reversible solid oxide cell (RSOC). SFN0.35M shows outstanding electrocatalytic activity for hydrogen oxidation, hydrogen evolution, oxygen reduction, and oxygen evolution. In situ exsolution and dissolution of Fe-Ni alloy nanoparticles in SFN0.35M is revealed. In a reducing atmosphere, SFN0.35M shows in situ exsolution of Fe-Ni alloy nanoparticles, and then the Fe-Ni alloy is reoxidized into SFN0.35M while converting into an oxidizing atmosphere. The polarization resistances of SFN0.35M electrode are 0.043 Ω cm2 in 20% O2-N2 and 0.064 Ω cm2 in H2 at 850 °C. Moreover, symmetric fuel cells using the SFN0.35M electrode achieves a maximum power density of 0.501 W cm-2 at 850 °C in H2 fuel, while the symmetric electrolysis cell has an electrolysis current density of 0.794 A cm-2 at 1.29 V in 90% H2O-10% H2 at 850 °C. It is the first time we demonstrate that the cell voltage of symmetrical cell at 0.5 A cm-2 in the fuel cell mode and -0.5 A cm-2 in the electrolysis cell mode can be fully recovered in 10 electrode alternating cycles and therefore demonstrate the possibility that SFN0.35M can be used in a fully symmetric RSOC stack with electrode alternating functions.

Combined ion beam irradiation platform and 3D fluorescence microscope for cellular cancer research.

To improve particle radiotherapy, we need a better understanding of the biology of radiation effects, particularly in heavy ion radiation therapy, where global responses are observed despite energy deposition in only a subset of cells. Here, we integrated a high-speed swept confocally-aligned planar excitation (SCAPE) microscope into a focused ion beam irradiation platform to allow real-time 3D structural and functional imaging of living biological samples during and after irradiation. We demonstrate dynamic imaging of the acute effects of irradiation on 3D cultures of U87 human glioblastoma cells, revealing characteristic changes in cellular movement and intracellular calcium signaling following ionizing irradiation.

Efficacy, tolerability and safety of add-on third-generation antiseizure medications in treating focal seizures worldwide: a network meta-analysis of randomised, placebo-controlled trials.

Background: Adjunctive newer antiseizure medications (ASMs) are being used in patients with treatment-resistant focal-onset seizures (FOS). An updated network meta-analysis (NMA) was necessary to compile evidence in this critical area. Methods: We systematically searched PubMed, Embase, Cochrane Library, Web of Science, and Scopus from their inception until 17 January 2024, evaluating the efficacy, tolerability, and safety of rufinamide (RUF), brivaracetam (BRV), cenobamate (CNB), eslicarbazepine (ESL), lacosamide (LCM), retigabine (RTG), and perampanel (PER) as adjunctive treatments for FOS. Efficacy outcomes included seizure response and seizure freedom. Tolerability was assessed by discontinuation due to adverse events (AEs). Safety outcomes were evaluated based on the number of patients experiencing at least one AE and serious adverse events (SAEs). This review is registered with PROSPERO (CRD42023485130). Findings: A total of 29 studies involving 11,750 participants were included. For seizure response, all ASMs were significantly superior to placebo, with RTG ranking highest, followed by CNB. Considering dosage, CNB 400 mg/d was top-ranked, followed by RTG 1200 mg/d. For seizure freedom, BRV was highest-ranked, followed by CNB, with BRV 100 mg/d leading, followed by CNB 400 mg/d. Regarding tolerability, LCM 600 mg/d had the lowest ranking, followed by CNB 400 mg/d. For the safety outcome of AEs, ESL 1200 mg/d was ranked lowest, followed by CNB 400 mg/d. Regarding SAEs, LCM 400 mg/d was ranked lowest, followed by RTG 1200 mg/d. Interpretation: ASMs at different dosages have varying efficacy and tolerability profiles. We have provided hierarchical rankings of ASMs for efficacy and safety outcomes. Our findings offer the most comprehensive evidence available to inform patients, families, physicians, guideline developers, and policymakers about the choice of ASMs in patients with treatment-resistant FOS. Funding: None.

Fabrication of Cu-MOF-Derived Cu/CuxO/C Bifunctional Materials for Light and Dark Catalytic Properties.

Metal-organic frameworks (MOFs) are self-assembled constitutive precursors and efficient self-sacrificial templates with metal ions/clusters and organic linkers from which multifunctional materials with carbon nanostructures can be derived. In this study, we synthesized a novel Cu-MOF with Cu(II) as the central metal ion through two ligands, N,N'-bis(pyridin-3-yl)terephthalamide (3-bpta) and fumaric acid (H2FA), which was used as a template for derivatizing carbon-based nanostructured materials of Cu and CuxO through doping with different materials (melamine, urea, and TiO2) in a simple and efficient one-step pyrolysis. The Cu/CuxO-1 catalyst possesses both dark-catalyzed degradation activity and photocatalytic reduction activity during water purification due to the hole-transfer ability between Cu+ and Cu2+ and its inhibition of electron-hole complexation. In the absence of light, force, and cocatalyst, it can also effectively remove azo dyes in water and effectively reduce Cr(VI) under the action of visible light; therefore, Cu/CuxO-1 can be used as a new type of bifunctional material for the removal of pollutants in water, which has a broad prospect.

Fabrication of carbon-based materials derived from a cobalt-based organic framework for enhancing photocatalytic degradation of dyes.

The pyrolysis of metal-organic frameworks (MOFs) has emerged as a promising route to synthesize carbon/metal oxide-based materials with diverse phase compositions, morphologies, sizes and surface areas. In this paper, 1,3,5-benzoic acid (BTC) and 2,4,6-tri(4-pyridinyl)-1-pyridine (TPP) were used as ligands to prepare a novel cobalt-based MOF (Co-MOF) which was used as a precursor to obtain five carbon-based materials at different temperatures (Co-C200/400/600/800/1000). Furthermore, five dyes were used as degradation targets to investigate the photocatalytic degradation performance of the title materials under UV light irradiation. Co-C1000 exhibited the best photocatalytic degradation performance for methyl orange (MO), and the degradation rate could reach 99.21%. The enhanced photocatalytic activity was attributed to narrower band-gaps and a synergistic effect originating from the well-aligned straddling band structures between Co/CoO/Co3O4 and C, also resulting in a faster interfacial charge transfer during the photocatalytic reaction. This study will aid in the development of photocatalysts generated from carbon-based materials via the pyrolysis transformation of MOFs, therefore greatly enhancing the photocatalytic performance.

Fabrication of Metal-Organic Framework-Based Mixed-Matrix Membranes by "Soft Spray" Technique.

Metal-organic framework (MOF)-based mixed-matrix membranes (MMMs) represent a class of composite membranes that seamlessly integrate the properties of MOF fillers and polymer matrix into a hybrid system and have been widely used in countless advanced technologies. However, there remains a need for scalable and simple manufacturing techniques that can fabricate a MOF-based MMM with uniform dispersion. Herein, a series of MMMs with well-dispersed MOFs are constructed by a soft spray technique. In brief, by uniformly spraying metal ions onto the surface of a mixed solution containing polyvinylpyrrolidone (PVP) and organic ligands, a free-standing MMM is synthesized at the miscible liquid-liquid interface, facilitated by the dual function of metal ions. Moreover, soft spray technology can also introduce multifunctional materials into the MMM to customize performance. We have successfully introduced carbon black into a MOF-based MMM by soft spray, resulting in MMMs with excellent photothermal effects. The resulted MOF-based MMM exhibits favorable catalytic performance in the condensation reaction of benzaldehyde with primary amines, and the MOF-based MMM modified with carbon black significantly boosts the endothermic CO2 conversion. The work opens a new avenue for the development of MOF-based MMMs with a promising future.

Fabrication of nanofibrous membranes decorated with metal-organic frameworks for detection of pollutants in water.

The environmental pollution caused by antibiotics, Fe3+ and MnO4- pollutants is becoming increasingly serious. Polyacrylonitrile (PAN) and polymethyl methacrylate (PMMA) were used and decorated with metal-organic frameworks (MOFs) to fabricated three kinds of nanofibrous membranes (NFMs) with different shapes and sizes were prepared by electrospinning technology using in situ growth method and mixed spinning method. The structures and properties of the above three kinds of NFMs were characterized. Among them, PAN@Co/Mn-MOF-74 NFM prepared by in-situ growth method based on PAN was a kind of nano-fluorescent NFM sensor with uniform structure and good fluorescence performance. It showed unique specificity and excellent sensitivity in the detection of ORN, Fe3+ and MnO4-. Compared with previously reported functionalized MOFs, PAN@Co/Mn-MOF-74 NFM has a lower limit of detection (LOD). This study provides a feasible technical route for the preparation of nano-fluorescent NFMs and the targeted detection of trace metal ions and antibiotics.

Enantioselective effects of chiral prothioconazole and its metabolites: Oxidative stress in HepG2 cells and lysozyme activity.

Chiral pesticides may exhibit enantioselectivity in terms of bioconcentration, environmental fate, and reproductive toxicity. Here, chiral prothioconazole and its metabolites were selected to thoroughly investigate their enantioselective toxicity and mechanisms at the molecular and cellular levels. Multispectral techniques revealed that the interaction between chiral PTC/PTCD and lysozyme resulted in the formation of a complex, leading to a change in the conformation of lysozyme. Meanwhile, the effect of different conformations of PTC/PTCD on the conformation of lysozyme differed, and its metabolites were able to exert a greater effect on lysozyme compared to prothioconazole. Moreover, the S-configuration of PTCD interacted most strongly with lysozyme. This conclusion was further verified by DFT calculations and molecular docking as well. Furthermore, the oxidative stress indicators within HepG2 cells were also affected by chiral prothioconazole and its metabolites. Specifically, S-PTCD induced more substantial perturbation of the normal oxidative stress processes in HepG2 cells, and the magnitude of the perturbation varied significantly among different configurations (P > 0.05). Overall, chiral prothioconazole and its metabolites exhibit enantioselective effects on lysozyme conformation and oxidative stress processes in HepG2 cells. This work provides a scientific basis for a more comprehensive risk assessment of the environmental behaviors and effects caused by chiral pesticides, as well as for the screening of highly efficient and less biotoxic enantiomeric monomers.

Neuromuscular basis of Drosophila larval rolling escape behavior.

When threatened by dangerous or harmful stimuli, animals engage in diverse forms of rapid escape behaviors. In Drosophila larvae, one type of escape response involves C-shaped bending and lateral rolling followed by rapid forward crawling. The sensory circuitry that promotes larval escape has been extensively characterized; however, the motor programs underlying rolling are unknown. Here, we characterize the neuromuscular basis of rolling escape behavior. We used high-speed, volumetric, Swept Confocally Aligned Planar Excitation (SCAPE) microscopy to image muscle activity during larval rolling. Unlike sequential peristaltic muscle contractions that progress from segment to segment during forward and backward crawling, muscle activity progresses circumferentially during bending and rolling escape behavior. We propose that progression of muscular contraction around the larva's circumference results in a transient misalignment between weight and the ground support forces, which generates a torque that induces stabilizing body rotation. Therefore, successive cycles of slight misalignment followed by reactive aligning rotation lead to continuous rolling motion. Supporting our biomechanical model, we found that disrupting the activity of muscle groups undergoing circumferential contraction progression leads to rolling defects. We use EM connectome data to identify premotor to motor connectivity patterns that could drive rolling behavior and perform neural silencing approaches to demonstrate the crucial role of a group of glutamatergic premotor neurons in rolling. Our data reveal body-wide muscle activity patterns and putative premotor circuit organization for execution of the rolling escape response.

Prediction and evaluation of the energy structure under the green finance development in Chongqing municipality, China.

Chongqing, as the last ecological barrier of the Upper Yangtze River, is constrained to achieve "dual carbon" goals due to imbalanced energy structure. Based on selecting the energy structure influencing factors through Copula function and Granger causality, a multi-dimensional dynamic support vector machine model (SSA-MFD-SVR-ARIMA) by adopting sparrow algorithm was constructed to predict the proportion of Chongqing's energy structure from 2021 to 2030 under the drive of green finance development, and an optimization path was obtained. The novel findings confirm that (1) the correlated contribution rate of Green Finance to optimizing Chongqing's Energy Structure is 10.8 %; (2) under the sustained growth rate of Green Finance at 4.5 %, the proportion of coal consumption will reach 40.03 % by 2030, and non-fossil energy consumption will account for 27 %. It confirms that Chongqing can achieve the Energy Development Plan assigned by the Central Government in 2025. The research proposes a four-dimensional optimized pathway from a financial perspective that includes green equity investments, digital finance for energy, financing environmental rights and interests, and developing an industry fund. Furthermore, our put forward the safeguard strategies for financing, innovation, linkage, and protection mechanisms of this pathway optimization.

Fabrication of a Co-Mo-Based Metal-Organic Framework for Growth of Double-Walled Carbon Nanotubes.

Double-walled carbon nanotubes (DWCNTs) make up a unique class of carbon nanotubes (CNTs) that are particularly intriguing for scientific research and are promising candidates for technological applications. A more precise level of control and greater yields can be achieved via catalytic chemical vapor deposition (CCVD), which involves the breakdown of a carbonaceous gas over nanoparticles. The addition of molybdenum to the system can increase the selectivity with regard to the number of walls that exist in the obtained CNTs. As reported herein, we have designed and synthesized a novel Co-Mo-MOF, [Co(3-bpta)1.5(MoO4)]·H2O (where 3-bpta = N,N'-bis(3-pyridyl)terephthalamide), and employed the Co-Mo-MOF as a bimetallic catalyst precursor for the CCVD approach to prepare high-quality DWCNTs. The Co-Mo-MOF was employed after being calcined in N2 and H2 at 1100 °C and decomposing into CoO, CoMoO4, and MoO3. Existing CoMoO4 is unaltered after reduction in H2 at 1100 °C, while CoO and MoO3 are converted into Co0 and MoO2, and more CoMoO4 is created at the expense of Co0 and MoO2 without clearly defining agglomeration. Finally, the interaction between metallic Co particles and C2H4 is what initiates the formation of DWCNTs. In-depth discussion is provided in this paper regarding the mechanism underlying the high selectivity and activity of Co-Mo catalysts in regulating the development and structure of DWCNTs. The DWCNTs also offer excellence performance when they are used as water purification agents and as selective sorbents. This work opens a feasible way to use MOFs as a way to produce MWCNTs, thus blazing a new trail in the field of MOF-derived carbon-based materials.

Ultrafast and Scalable Fabrication of Coordination Polymer Films on Network Substrates via Thermal Current-Induced Dewetting.

Coordination polymers are among the most favored active materials by researchers due to their broad application prospects. However, most of them are usually difficult to directly process into applicable devices because of their unsatisfied processability. One process of great concern for researchers is the in situ preparation of the coordination polymer on the applicable substrate, especially for the favored network substrates with good mechanical properties and 3D porous structure, which could provide obvious convenience and facilitation in the application process. Herein, we present an ultrafast and scalable thermal current-induced dewetting strategy to obtain uniform coordination polymer film in situ on network substrates, which could enable unprecedented convenience to obtain directly usable coordination polymer composites such as practical catalytic electrodes with excellent electrocatalytic performance. The proposed thermal current-induced dewetting method provides a highly adaptable and efficient practical production approach to integrate coordination polymer materials with network substrates and also provides new inspiration for understanding and applying the dewetting process on complex 3D network substrates.

The spatial and temporal structure of neural activity across the fly brain.

What are the spatial and temporal scales of brainwide neuronal activity? We used swept, confocally-aligned planar excitation (SCAPE) microscopy to image all cells in a large volume of the brain of adult Drosophila with high spatiotemporal resolution while flies engaged in a variety of spontaneous behaviors. This revealed neural representations of behavior on multiple spatial and temporal scales. The activity of most neurons correlated (or anticorrelated) with running and flailing over timescales that ranged from seconds to a minute. Grooming elicited a weaker global response. Significant residual activity not directly correlated with behavior was high dimensional and reflected the activity of small clusters of spatially organized neurons that may correspond to genetically defined cell types. These clusters participate in the global dynamics, indicating that neural activity reflects a combination of local and broadly distributed components. This suggests that microcircuits with highly specified functions are provided with knowledge of the larger context in which they operate.

Fabrication of bimetallic-doped materials derived from a Cu-based complex for enhanced dye adsorption and iodine capture.

In this work, we used Cu(II) ions, a bis-pyridyl-bis-amide ligand [N,N'-bis(4-pyridinecarboxamide)-1,2-cyclohexane (4-bpah)], and an aromatic dicarboxylic acid [1,4-cyclohexanedicarboxylic acid (H2CHDA)] to construct a 1D binuclear Cu-based complex, namely {[Cu3(4-bpah)(CHDA)3(H2O)]·2H2O}n (1). Moreover, we also developed a facile method to synthesize two monometallic/bimetallic-doped materials which were derived from the Cu complex (C-N-1 and C-V-1, which were doped with nitrogen and vanadium, respectively). The as-synthesized derived materials were fully characterized and the iodine sorption/release capabilities were investigated in detail. We performed iodine adsorption experiments on the two monometallic/bimetallic-doped materials and found that C-N-1 and C-V-1 possess highly efficient adsorption activities for the adsorption of iodine from solution. The C-N-1 and C-V-1 complexes exhibited remarkable adsorption capacities of 1141.60 and 1170.70 mg g-1, respectively, for iodine from a cyclohexane solution. Moreover, the dye adsorption properties of C-N-1 and C-V-1 were also investigated in detail. The obtained C-N-1 and C-V-1 exhibit effective dye uptake performances in water solution. The adsorption of Congo red (CR) on a single metal carbon material C-N-1 doped with heteroatoms reached equilibrium within 240 min and reached an adsorption capacity of 1357.00 mg g-1 and the adsorption capacities of C-V-1 for methylene blue (MB), gentian violet (GV), rhodamine B (RhB), and CR at room temperature were found to be 187.60, 190.60 and 108.10 and 1501.00 mg g-1 in 180 min, respectively. By comparison, we found that doping vanadium could play an important role in the adsorption processes. The adsorption capacity of C-V-1 (containing the vanadium in its structure) was relatively higher than that of C-N-1, which indicated that the introduction of non-noble metals may effectively tune the adsorption kinetics activity and the introduction of noble metals can change the surface electronegativity of porous carbon materials, thus leading to significantly improved adsorption capabilities.

Fabrication of metal-organic salts with heterogeneous conformations of a ligand as dual-functional urease and nitrification inhibitors.

Urease inhibitors (UIs) and nitrification inhibitors (NIs) can greatly reduce nitrogen loss in agriculture soil. However, design and synthesis of an efficient and environmentally friendly dual-functional inhibitor is still a great challenge. Herein, four metal-organic salts (MOSs) based on heterogeneous conformations of the ligand N1,N1,N2,N2-tetrakis(2-fluorobenzyl)ethane-1,2-diamine (L), namely, [2HL]2+·[MCl4]2- (M = Cu, Zn, Cd, and Co), have been synthesized by the "second sphere" coordination method and structurally characterized in detail. Single crystal X-ray diffraction (SCXRD) analyses reveal that the four MOSs are 0D supramolecular structures containing [2HL]2+ and [MCl4]2-, which are connected through non-covalent bonds. Furthermore, the urease and nitrification inhibitory activities of MOSs are evaluated, showing excellent nitrification inhibitory activity with the nitrification inhibitory rate as high as 70.57% on the 28th day in soil cultivation experiment. In particular, MOS 1 shows significant urease inhibitory activity with half maximal inhibitory concentration (IC50) values of 0.89 ± 0.01 µM (0.5 h) and 1.87 ± 0.01 µM (3 h), which can serve as a dual-functional inhibitor.

Theoretical study based on the excited state dynamical of an oxadiazole derivative: A novel fluorescence mechanism.

Excited intramolecular proton transfer (ESIPT) has been widely studied as a model system for proton transfer. In recent years, materials and biological systems containing two proton transfers have received special attention from researchers. In this work, the excited state intramolecular double-proton-transfer (ESIDPT) mechanism of a fluorescent compound based on an oxadiazole derivative, 2,5-bis-[5-(4-tert-butyl-phenyl)-[1,3,4]oxadiazol-2-yl]-benzene-1,4-diol (DOX), has been comprehensively investigated through theoretical calculations. The potential energy surface curve of the reaction shows that ESIDPT can occur in the first excited state. This work proposes a new and reasonable fluorescence mechanism based on previous experiments, which has theoretical significance for the future research of DOX compounds in biomedicine and optoelectronics.

[Phosphorus Adsorption in Water and Immobilization in Sediments by Lanthanum-modified Water Treatment Sludge Hydrochar].

Using water treatment sludge and lanthanum chloride as raw materials, lanthanum-modified water treatment sludge hydrothermal carbon was prepared through one-step hydrothermal carbonization and loading lanthanum. SEM-EDS, BET, FTIR, XRD, and XPS were used to characterize the materials. The initial pH of the solution, adsorption time, adsorption isotherm, and adsorption kinetics were investigated to study the adsorption characteristics of phosphorus in water. The results showed that the specific surface area, the pore volume, and the pore size of the prepared materials were significantly increased, and the phosphorus adsorption capacity was greatly improved compared with that of the water treatment sludge. The adsorption process conformed to the pseudo-second-order kinetic model, and the Langmuir model fitted the maximum phosphorus adsorption capacity to 72.69 mg·g-1. The main adsorption mechanisms were electrostatic attraction and ligand exchange. Adding lanthanum-modified water treatment sludge hydrochar into the sediment could effectively control the release of endogenous phosphorus from the sediment to the overlying water. According to the analysis of phosphorus forms in sediment, the addition of hydrochar promoted the transformation of unstable NH4Cl-P, BD-P and Org-P into the very stable HCl-P in the sediment, which reduced the content of potential active phosphorus and also significantly reduced the content of biologically available phosphorus. This indicated that lanthanum-modified water treatment sludge hydrochar could effectively adsorb and remove phosphorus in water and could also be used as sediment improvement material to effectively stabilize endogenous phosphorus in sediment and control phosphorus content in water.