Effect of structure on sensing performance of nitro explosives with high sensitivity and mechanism of two Tb(III) coordination polymers.

The use of a conjugate N-containing ligand resulted in the decreasing of structural dimensions from 2D network of [Tb(2-pyia)(Ac)(H2O)] (CP1) to 1D chain [Tb(2-pyia)(Ac)(IDP)] (CP2) (2-H2pyia = 5-(pyridin-2-ylmethoxy) isophthalic acid and IDP=imidazo[4,5-f]-[1,10] phenanthroline). Both of them exhibit the characteristic luminescence of Tb ions and could have high fluorescence sensing properties for cefixime and fluridine. The different sensing properties for nitro explosives are manifested as CP1 for nitrobenzene and CP2 for 4-nitrophenol due to the difference in structure. Furthermore, CP2 exhibits the ratiometric fluorescence sensing for Fe3+ ion with a low detection limit of 0.405 µM. The fluorescence sensing mechanism of the two Tb complexes for different analytes was investigated using experimental methods and theoretical calculations. CP1 was used for the detection of Flu residues in the actual system and better results were obtained. The work shows the introduction of the chelated ligand might affect the structural and sensing performance changes of coordination polymers.

Exploring the diversity of dissolved organic matter (DOM) properties and sources in different functional areas of a typical macrophyte - derived lake combined with optical spectroscopy and FT-ICR MS analysis.

Lake Baiyangdian is one of China's largest macrophyte - derived lakes, facing severe challenges related to water quality maintenance and eutrophication prevention. Dissolved organic matter (DOM) was a huge carbon pool and its abundance, property, and transformation played important roles in the biogeochemical cycle and energy flow in lake ecosystems. In this study, Lake Baiyangdian was divided into four distinct areas: Unartificial Area (UA), Village Area (VA), Tourism Area (TA), and Breeding Area (BA). We examined the diversity of DOM properties and sources across these functional areas. Our findings reveal that DOM in this lake is predominantly composed of protein - like substances, as determined by excitation - emission matrix and parallel factor analysis (EEM - PARAFAC). Notably, the exogenous tyrosine-like component C1 showed a stronger presence in VA and BA compared to UA and TA. Ultrahigh - resolution mass spectrometry (FT - ICR MS) unveiled a similar DOM molecular composition pattern across different functional areas due to the high relative abundances of lignan compounds, suggesting that macrophytes significantly influence the material structure of DOM. DOM properties exhibited specific associations with water quality indicators in various functional areas, as indicated by the Mantel test. The connections between DOM properties and NO3N and NH3N were more pronounced in VA and BA than in UA and TA. Our results underscore the viability of using DOM as an indicator for more precise and scientific water quality management.

Evolving intellectual property landscape for AI-driven innovations in the biomedical sector: opportunities in stable IP regime for shared success.

Artificial Intelligence (AI) has revolutionized the biomedical sector in advanced diagnosis, treatment, and personalized medicine. While these AI-driven innovations promise vast benefits for patients and service providers, they also raise complex intellectual property (IP) challenges due to the inherent nature of AI technology. In this review, we discussed the multifaceted impact of AI on IP within the biomedical sector, exploring implications in areas like drug research and discovery, personalized medicine, and medical diagnostics. We dissect critical issues surrounding AI inventorship, patent and copyright protection for AI-generated works, data ownership, and licensing. To provide context, we analyzed the current IP legislative landscape in the United States, EU, China, and India, highlighting convergences, divergences, and precedent-setting cases relevant to the biomedical sector. Recognizing the need for harmonization, we reviewed current developments and discussed a way forward. We advocate for a collaborative approach, convening policymakers, clinicians, researchers, industry players, legal professionals, and patient advocates to navigate this dynamic landscape. It will create a stable IP regime and unlock the full potential of AI for enhanced healthcare delivery and improved patient outcomes.

Linear polydichlorophosphazene and Ti3C2Tx MXene nanohybrids: Synthesis and application to epoxy resin to improve the fire safety and mechanical properties.

Enhancing the fire safety of epoxy resins (EPs) typically requires a significant amount of flame retardants, which often results in considerable degradation of their mechanical properties. To address this issue, a novel flame retardant known as PDCP@DPA@MXene was synthesized and integrated into EP to achieve notable improvements in flame retardancy, smoke suppression, and mechanical strength. By incorporating 1.5 wt% PDCP@DPA@MXene, the impact strength, tensile strength, and elongation at break of the resulting PDM-1.5 %/EP composite reached 12.1 kJ/m2, 57.4 MPa, and 13.0, respectively, reflecting enhancements of 63.5 %, 18.4 %, and 17.1 % compared to the pure EP. The enhancement in tensile strength may be attributed to the high rigidity of Ti3C2Tx MXene, which reinforces the EP matrix. Additionally, the intertwined structure of PDCP@DPA@MXene chains effectively mitigates material fracturing and absorbs impact forces, thus toughening the EP. The presence of phosphorus, nitrogen, and titanate in PDCP@DPA@MXene contributes to the formation of a more compact char layer. The PDM-1.5 %/EP sample achieved a V-0 rating in the vertical UL-94 test and exhibited a high limiting oxygen index of 32.0. Furthermore, the sample containing 2 wt% PDCP@DPA@MXene showed a significant reduction in peak heat release rate (p-HRR) and total heat release (THR), recording values of 689 kW/m2 and 71.9 MJ/m2, which are decreases of 45.1 % and 26.9 %, respectively, compared to pure EP. Additionally, the incorporation of PDCP@DPA@MXene led to a reduction in CO production. These flame-retarded EPs demonstrate strong potential for various applications due to their elevated glass transition temperature and robust thermal stability.

Microstructure and Mechanical Properties of NiTi Alloy Prepared by Double-Wire + Arc Additive Manufacturing Plus In Situ Heat Treatment.

In this study, NiTi shape memory alloy was prepared by double-wire + arc additive manufacturing plus in situ heat treatment using TA1 and ER-Ni welding wires as the raw materials. The results show that the microstructural evolution from the bottom to top is NiTi2 + NiTi → NiTi + Ni3Ti + Ni4Ti3 → NiTi + Ni4Ti3 + Ni3Ti2 + Ni3Ti + α-Ti. Complex thermal cycles led to the precipitation of Ni3Ti, which improves the hardness of the matrix (B2), and the average hardness value of the top region reaches 550.7 HV0.2. The fracture stress is 2075 ± 138.4 MPa and the fracture strain is 11.2 ± 1.27%. The sample shows 7.02% residual strain and 5.87% reversible strain after 15 cycles, and the stress hysteresis decreases with an increase in cyclic strain.

Characterization of Anisotropic Shape Memory Behavior of Thermoresponsive Components in 4D Printing.

Four-dimensional (4D) printing has emerged as a promising manufacturing technology in recent years and revolutionized products by adding shape-morphing capabilities when exposed to certain stimuli. Increasing research attention has been dedicated to studying the shape memory behaviors of the 4D fabricated structures. However, in-depth discussions on quantifying the influence of process parameters on shape fixity and recovery properties are limited, and the anisotropy induced by the layer-wise fabrication nature is significantly underreported. To further exploit the shape memory property of 4D printed structures, it is essential to investigate the process-induced anisotropic shape memory behaviors. In this study, the effects of critical process parameters on anisotropy in shape memory properties are mathematically quantified; meanwhile, the feasibility of tailoring the anisotropy of 4D printed parts is examined with joint consideration of total build time. Different scanning patterns are experimentally analyzed for their influence on anisotropic behaviors. It is found that the Triangle scanning pattern often leads to the best shape memory behaviors in different directions. The outcome of this study confirms the existence of anisotropy in both shape fixity and shape recovery ratios. In addition, the results also reveal that a smaller scanning angle tends to minimize the anisotropy and total fabrication time while ensuring satisfactory shape memory performance. Furthermore, layer thickness shows negligible effects on anisotropy, while the scanning angle and shape memory temperature suggest the opposite.

Why are information-theoretic descriptors powerful predictors of atomic and molecular polarizabilities.

CONTEXT: We rationalize the excellent performance of information-theoretic descriptors for predicting atomic and molecular polarizabilities. It seems that descriptors which capture information about the change in valence-shell structure, especially the relative Fisher information measures, are particularly useful. Using this, we can rationalize why the G3 form of the relative Fisher information, which measures the deviation of effective nuclear charge between an atom-in-a-molecule and the reference pro-atom, is especially effective as a predictor of molecular polarizability. METHODS: There are no methods used in this paper, which relies on mathematical derivation and analysis.

Limited open information sharing and mobility promotes sustainability of jaguar tourism in Pantanal wetland, Brazil.

Wildlife tourism plays a crucial role in biodiversity conservation. However, long-term sustainability is difficult to achieve. In this paper, we use property theory to produce a mathematical model that aims to better support stakeholders from the wildlife tourism industry to better guarantee a balance between sightings probability, tourists' overall experience and operators' sharing behaviour. We illustrate our model with the case study of Porto Jofre in the Pantanal wetland, Brazil. We show that while dealing with low sighting probability, tourist operators must share information about species' locations, leading to a system of open access regarding mobility and information. However, when sightings become common, sharing must be restricted to a bounded group avoiding overcrowding, a system of limited open access. Finally, when the sighting probability is high, no sharing is needed to achieve maximum overall experience. Our case study in Porto Jofre, Pantanal, Brazil, clearly shows these shifts in terms of governance strategies. We show that by looking at sighting probability it is possible to predict the best optimal social strategy that will guarantee long-term sustainability of the wildlife tourism initiatives. We also show the need for external support on adaptation in cases where current strategies do not match the predicted ones.

Multilevel Dynamic System as Molecular Morning-After Timer.

Systems chemistry aims to develop molecular systems that display emerging properties arising from their network and absent in their individual constituents. Employing reversible chemistry under thermodynamic control represents a valuable tool for generating dynamic combinatorial libraries of interconverting molecules, which may exhibit intriguing collective behaviour. A simple dynamic combinatorial library was prepared using dithioacetal / thiol / disulfide exchanges. Because of the relative reactivities of these reversible reactions, the library constitutes a two-layer dynamic system with one layer active in an acid medium (thiol/dithioacetal exchange) and one layer active in a basic medium (thiol/disulfide exchange). This property enables the system to respond to momentary changes in acidity of the medium by activating different network regions, channeling some building blocks from one layer to another through shared thiol reagents (nodes). This momentaneous change in wiring affects the final steady state composition of the library, measured the next day, even though the event that caused it vanishes without leaving any residue. Therefore, the final composition of this dynamic system provides information about this transient past perturbation in the environment such as: when it occurred, how long it was, or how intense it was.

Calcium silicate cements endowing bioactivity and sustaining mechanical strength of low-heat-releasing and fast-curing magnesium phosphate cements.

It is known that magnesium phosphate cements (MPCs) show appreciable mechanical strength and biocompatibility, but the hydration reaction processes often lead to intense heat release while the hydration products present weak resistance to mechanical decay and low bioactivity. Herein we developed an MPC-based system, which was low-heat-releasing and fast-curing in this study, by compounding with self-curing calcium silicate cements (CSCs). The MPC composed of magnesium oxide (MgO), potassium dihydrogen phosphate (KH2PO4), disodium hydrogen phosphate (Na2HPO4), magnesium hydrogen phosphate trihydrate (MgHPO4·3H2O) and chitosan were weakly basic, which would be more stable in vivo. The physicochemical properties indicated that the addition of CSCs could increase the final setting time while decrease the heat release. Meanwhile, the CSCs could endow MPC substrate with apatite re-mineralization reactivity, especially, which add 25 wt.% CSCs showed the most significant apatite deposition. What's more, the mechanical evolution in buffer demonstrated CSCs could enhance and sustain the mechanical strength during degradation, and the internal constructs of cement implants could still be reconstructed by µCT analysis in rabbit femoral bone defect model in vivo. Particularly, appropriate CSCs adjusted the biodegradation and promoted new bone tissue regeneration in vivo. Totally, the MPC/CSCs composite system endows bioactivity and sustains mechanical strength of the MPC, which may be promising for expending the clinical applications of MPC-based bone cements.

Photothermal enhanced antibacterial chitosan-based polydopamine composite hydrogel for hemostasis and burn wound repairing.

Bleeding and bacterial infection are common problems associated with wound treatment, while effective blood clotting and vessel regeneration promotion are the primary considerations to design the wound dressing materials. This research presents a chitosan-based hydrogel with grafted quaternary ammonium and polyphosphate (QCSP hydrogel) as the antibacterial hemostatic dressing to achieve burn wound treatment. The tissue adhesion of the hydrogel sealed the blood flow and the polyphosphate grafted to the chitosan promoted the activation of coagulation factor V to enhance the hemostasis. At the same time, the grafted quaternary ammonium enhanced the antibacterial ability of the biodegradable hydrogel wound dressing. In addition, the polydopamine as a photothermal agent was composited into the hydrogel to enhance the antibacterial and reactive oxygen scavenging performance. The in vivo hemostasis experiment proved the polyphosphate enhanced the coagulation property. Moreover, this photothermal property of the composite hydrogel enhanced the burn wound repairing rate combined with the NIR stimulus. As a result, this hydrogel could have potential application in clinic as dressing material for hemostasis and infection prone would repairing.

Preparation and characterization of a new food-grade Pickering emulsion stabilized by mulberry-leaf protein nanoparticles.

BACKGROUND: Food-grade Pickering particles, particularly plant proteins, have attracted significant interest due to their bio-based nature, environmental friendliness, and edibility. Mulberry-leaf protein (MLP) is a high-quality protein with rich nutritional value and important functional properties. It has special amphoteric and emulsifying characteristics, making it valuable for use in Pickering emulsions. This study aimed to investigate the feasibility of using MLP nanoparticles as solid particles to stabilize Pickering emulsions. RESULTS: The particle size of MLP nanoparticles was less than 300 nm under neutral and alkaline conditions. At pH 9, the zeta potential value reached -34.3 mV, indicating the electrostatic stability of the particles. As ion concentration increased, the particle size of MLP nanoparticles increased, and the zeta potential decreased. Throughout the storage process, no obvious aggregation or precipitation was observed in the dispersion of MLP nanoparticles, indicating strong stability. The particle size of the Pickering emulsion decreased with the increase in protein concentration. When the protein concentration was low, the particles on the oil-water interface became sparse, resulting in poor stability of the prepared emulsion and making it susceptible to aggregation and thus larger particle sizes. Increasing the oil-phase ratio to 70% (v/v) promotes the formation of Pickering emulsions, which exhibit exceptional stability when MLP nanoparticles are fixed at a concentration of 20 mg mL-1. CONCLUSION: The overall findings indicated that MLP nanoparticles have potential as food-grade materials for Pickering emulsions, marking a novel application of these nanoparticles in the food industry. © 2024 Society of Chemical Industry.

Structure and physicochemical properties of starches from six accessions of the genus Pueraria in China.

Kudzu (Pueraria lobata) root contains abundant starch, but the physicochemical properties of kudzu starch are not well understood. In this study, we compared the compositions and physicochemical properties of starches isolated from six Pueraria accessions in China. Caige starch exhibited the highest purity (96.99 %) and amylose content (24.76 %), while Yege starch contained higher levels of puerarin (493.37 µg/g) and daidzein (38.68 µg/g). All kudzu starches were rich in resistant starch, with RS2 content ranging from 38.61 % to 46.22 % and RS3 content from 3.59 % to 6.04 %. The granules of kudzu starches varied in morphology, with Yege starch featuring larger polygonal granules. The kudzu starches presented either A-type or A-type-like C-type diffraction patterns. Caige starch had a higher IR2 value (1.28), higher gelatinization temperatures, wider temperature ranges, and greater enthalpy changes. Yege (JX) starch exhibited the highest peak viscosity but the lowest setback viscosity and pasting temperature. Fenge starch showed the highest final viscosity, with Fenge (ZJ) starch demonstrating the highest crystallinity (25.7 %) and IR1 value (0.80). These results indicated that kudzu starches derived from various Pueraria species possess unique structural and physicochemical properties, which provide significant potential for applications in food and other industrial fields.

Preparation of WSi@SiOx/Ti3C2 from photovoltaic silicon waste as high-performance anode materials for lithium-ion batteries.

Silicon anodes hold promise for future lithium-ion batteries (LIBs) due to their high capacity, but they face challenges such as severe volume expansion and low electrical conductivity. In this study, we present a straightforward and scalable electrostatic self-assembly method to fabricate WSi@SiOx/Ti3C2 composites for LIBs. Silicon nanosheets and the ultra-thin oxide layer SiOx serve as sufficient buffers against volume changes, while the layered MXene enhances the electrical conductivity of the composite and promoted Li+/e- transport. Additionally, cationic surfactant-treated Ti3C2 provides more active sites for WSi@SiOx attachment and acts as an intercalating agent, enabling WSi@SiOx to enter the interlayer spaces of Ti3C2. The WSi@SiOx/Ti3C2 electrodes significantly improved electrochemical performance, achieving a capacity of 1,130 mAh g-1 after 800 charge/discharge cycles at 500 mA g-1. This study not only presents a straightforward pathway for high-value utilization of silicon waste but also offers a feasible route for preparing high-performance and cost-effective silicon-based LIBs.

Effective hydrogen production and coupling degradation of organics (4-nitrophenol, methylene blue, and Rhodamine B) in wastewater by electrospun PAN@Fe0 composite nanofibers.

The pursuit of clean energy generation and environmental preservation is of utmost importance for societal progress. However, couple clean energy production and pollution control is still a difficulty. In this study, a novel electrospun composite mat, with nano zero valent iron (Fe0, nZVI) encapsulated into polyacrylonitrile (PAN) nanofibers was acted as a catalyst. The activation energy (Ea) for the hydrolysis of NaBH4 to produce hydrogen is 22 kJ·mol-1, hydrogen atom utilization efficiency (HGE) of NaBH4 is 60.80%. Three kinds of organic dyes 4-nitrophenol (4-NP), methylene blue (MB), and Rhodamine B (RhB) were served as the model pollutant, to construct NaBH4-organic system for energy production and pollution reduction. The NaBH4-organic system demonstrates a collaborative capability to simultaneously remove organic pollutants and generate hydrogen, with a coupling equilibrium point between the two processes. The hydrogen generation rate (HGR) and HGE increased with the concentration of pollutants increased. The degradation of 4-NP, MB, and RhB followed pseudo-first-order kinetics, with RhB degrading dosage 20 and 44 times higher than 4-NP and MB, respectively. H2 and H· contributed to the organic degradation. nZVI directly participated in the formation H2 and H·. PAN@Fe0 possessed good recyclability and moderate cost. The degradation process adhered to the classical surface reaction controlled Langmuir-Hinshelwood (L-H) model. The integration of synergistic production capacity and pollutant degradation aligns well with the principles of green chemistry and sustainable development. This study demonstrates a novel approach to no precursor loss catalysts preparation, efficient production clean H2, advanced treatment of dye-containing wastewater, carbon neutral operation of sewage treatment plant.

3-(2-Trifluoromethyl-3-aryl-4H-chromen-4-yl)-1H-indoles: Mastering anti-inflammation and analgesia while mitigating gastrointestinal side effects.

A series of 3-(2-trifluoromethyl-3-aryl-4H-chromen-4-yl)-1H-indoles (5-1 to 5-29) were developed and characterized. Most of compounds were found to be potent for inhibiting the production of NO in LPS-induced RAW264.7 cells, of which 3-(3-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)-4H-chromen-4-yl)-1H-indole (5-25) was the most optimal (IC50 = 4.82 ± 0.34 µΜ) and was capable of significantly suppressing the release of PGE2. The inhibitory effect of 5-25 on human recombinant COX-2 (IC50 = 51.7 ± 1.3 nM) was measured and molecular docking was performed, determining 5-25 as a COX-2 inhibitor. Additionally, the interaction between 5-25 and COX-2 was determined by the CETSA technique. Then, 5-25 inhibited the degradation of IκB, the phosphorylation and nuclear translocation of NF-κB p65, and the expression of COX-2 and iNOS. Moreover, it was verified that 5-25 exhibited efficacy in rodent models of inflammation and pain, encompassing the paw edema, cotton pellet-induced granuloma, acid-induced writhing, and adjuvant-induced arthritis models. Therefore, the mechanism of 5-25 may be to bind to COX-2 and exert anti-inflammatory and analgesic effects in vitro and in vivo by suppressing the NF-κB pathway. Encouragingly, in comparison with indomethacin, 5-25 exhibited a lower ulcerative potential in rats, as manifested by generating smaller areas and fewer ulcers, less inflammatory infiltration, a lower expression of MMP-9, and less apoptosis. In conclusion, 5-25 is a candidate drug with high activity and low ulcerogenic potential, and it deserves further research for the treatment of inflammation, pain, and other symptoms in which COX-2 plays a role in their pathogenesis.

Replacement of backfat with vegetable oils or their oleogels in emulsion-type sausage significantly change the digestibility of meat protein.

Replacing animal fat with vegetable oil occurred extensively in the meat products, but whether these replacements will affect the nutrition of meat protein was seldom revealed. Effect of substitution of back fat (BF) by vegetable oils or their oleogels in emulsion-type sausage on the digestion process of meat protein was investigated. Replacement of BF with vegetable oils and their oleogels decreased the G'/G" values of meat paste, and oleogels largely weakened the structure of sausages. The substitution significantly reduced the liberation of -NH2 during the initial gastric and intestinal digestion, and resulted in bigger digests in CLSM images. The reduced gastric digestibility induced by substitution was shown to be related to the reduced stability of gastric digests, which can be attributed to the larger particle size and reduced viscosity of digests. These results highlighted stability of digests as a key point changing the digestion process of meat protein.

The Legal Framework for Public-Private Partnerships in Drug R&D.

Public-private partnerships in drug R&D have great potential for driving innovation. They can bridge between excellent fundamental research and development and commercialization of innovative medicines to address unmet needs for the therapy of severe diseases in the interest of public health and human welfare. Therefore, public-private partnerships in drug R&D are promoted and publicly funded by governments and the European Commission. Nonetheless, they need to comply with legal requirements, particularly stemming from State aid law and competition law. Those requirements do not only protect a fair competition, but rather also further open information exchange as well as fair sharing of risks and fair participation in gains and results with the goal of having a successful collaboration and increasing the chance of successful commercialization of pharmaceutical innovations.

Adapting differential molecular representation with hierarchical prompts for multi-label property prediction.

Accurate prediction of molecular properties is crucial in drug discovery. Traditional methods often overlook that real-world molecules typically exhibit multiple property labels with complex correlations. To this end, we propose a novel framework, HiPM, which stands for Hierarchical Prompted Molecular representation learning framework. HiPM leverages task-aware prompts to enhance the differential expression of tasks in molecular representations and mitigate negative transfer caused by conflicts in individual task information. Our framework comprises two core components: the Molecular Representation Encoder (MRE) and the Task-Aware Prompter (TAP). MRE employs a hierarchical message-passing network architecture to capture molecular features at both the atom and motif levels. Meanwhile, TAP utilizes agglomerative hierarchical clustering algorithm to construct a prompt tree that reflects task affinity and distinctiveness, enabling the model to consider multi-granular correlation information among tasks, thereby effectively handling the complexity of multi-label property prediction. Extensive experiments demonstrate that HiPM achieves state-of-the-art performance across various multi-label datasets, offering a novel perspective on multi-label molecular representation learning.

Effect of excitation voltage in a magnetically induced electric field on the physicochemical, structural and functional properties of citrus pectin.

Treatment with a magnetic induced electric field (MIEF) under acidic conditions has proven to be an effective method for modifying pectin, enhancing its functional attributes. In this study, the effects of varying excitation voltages of MIEF under acidic conditions on the physicochemical, structural, and functional properties of citrus pectin (CP) were explored. The results demonstrated that compared to CP without MIEF treatment, MIEF-treated CP exhibited enhanced thermal stability, rheological behavior, emulsifying and gel-forming abilities, and antioxidant capacity. These improvements were attributed to higher degrees of esterification, reduced molecular weights, and increased levels of galacturonic acid and homogalacturonan in the structural backbone of the treated CP. Additionally, MIEF treatment under acidic conditions altered the surface morphology and crystalline structure of CP. Therefore, our findings suggest that applying moderate excitation voltages (150-200 V) during MIEF treatment can enhance the functional properties of CP, leading to the production of high-quality modified pectin.