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Semimetals with extremely large magnetoresistance have attracted significant interest because of their possible nontrivial electronic structures, unusual transport properties, and also deep connections to high-energy physics. In this paper, we synthesize the GdSb single crystal and systematically characterize its crystal structure, magnetism, and electric transport properties. It is found that this compound crystallizes in the NaCl-type structure with a space group Fm3̅m and experiences an antiferromagnetic phase transition at 23.4 K. Electric transport measurements reveal that this compound is metallic, in which spin disorders induced a resistivity anomaly emerging around its magnetic transition temperature. Intriguingly, obvious resistivity plateaus are observed at low temperatures, when the compound is subjected to the external magnetic field, showing an extremely large magnetoresistance effect up to 12 100% at 2 K and 9 T. Through the Hall resistivity measurement and first-principles band structure calculations, GdSb is believed to be a multi-band and compensated semimetal, in which the total carrier concentrations of electrons and holes are almost comparable. The electron–hole compensation and ultrahigh mobility of GdSb can contribute to the large magnetoresistance in this compound. [ABSTRACT FROM AUTHOR]

NiO is a p-type wide bandgap semiconductor of use in various electronic devices ranging from solar cells to transparent transistors. Understanding and improving its optical and transport properties have been of considerable interest. In this work, we have investigated the effect of Li doping on the electronic, optical and transport properties of NiO epitaxial thin films grown by pulsed laser deposition. We show that Li doping significantly increases the p-type conductivity of NiO, but all the films have relatively low room-temperature mobilities (＜0.05 cm2 V−1 s−1). The conduction mechanism is better described by small-polaron hoping model in the temperature range of 200 K ＜ T ＜ 330 K, and variable range hopping at T ＜ 200 K. A combination of X-ray photoemission and O K-edge X-ray absorption spectroscopic investigations reveal that the Fermi level gradually shifts toward the valence band maximum (VBM) and a new hole state develops with Li doping. Both the VBM and hole states are composed of primarily Zhang-Rice bound states, which accounts for the small polaron character (low mobility) of hole conduction. Our work provides guidelines for the search for p-type oxide materials and device optimization. [ABSTRACT FROM AUTHOR]

The properties of precipitates are important in understanding the strengthening mechanism via precipitation during heat treatment and the aging process in Al–Cu based alloys, where the formation of precipitates is sensitive to temperature and pressure. Here we report a first-principles investigation of the effect of temperature and pressure on the structural stability, elastic constants and formation free energy for precipitates of Al2Cu, as well as their mechanical properties. Based on the formation enthalpy of Guinier–Preston (GP(I)) zones, the size of the GP(I) zone is predicted to be about 1.4 nm in diameter, which is in good agreement with experimental observations. The formation enthalpies of the precipitates are all negative, suggesting that they are all thermodynamically stable. The present calculations reveal that entropy plays an important role in stabilizing ϑ-Al2Cu compared with ϑC′-Al2Cu. The formation free energies of ϑ′′-Al3Cu, ϑC′-Al2Cu, ϑD′-Al5Cu3 and ϑt′-Al11Cu7 increase with temperature, while those of ϑ′-Al2Cu, ϑO′-Al2Cu and ϑ-Al2Cu decrease. The same trend is observed with the effect of pressure. The calculated elastic constants for the considered precipitation phases indicate that they are all mechanically stable and anisotropic, except ϑC′-Al2Cu. ϑD′-Al5Cu3 has the highest Vicker's hardness. The electronic structures are also calculated to gain insight into the bonding characteristics. The present results can help in understanding the formation of precipitates by different treatment processes. [ABSTRACT FROM AUTHOR]

The conduction type (n- or p-type) of cuprous oxide (Cu2O) can be controlled by adding different kinds of surfactant in solution through a wet reduction process. It was found that cuprous oxides fabricated in the presence of cationic surfactants were n-type semiconductors, the cuprous oxides formed in the presence of anionic or nonionic surfactants were p-type semiconductors. A suggested formation process and corresponding mechanism has been proposed on the basis of the experimental results. [ABSTRACT FROM AUTHOR]

Correction for ‘Electronic and transport properties of Li-doped NiO epitaxial thin films’ by J. Y. Zhang et al., J. Mater. Chem. C, 2018, 6, 2275–2282. [ABSTRACT FROM AUTHOR]

Transparent conductive films (TCFs) are critical components of various optoelectronic and photovoltaic devices. The performance of TCFs is mainly ascribed to their superior transparency and low sheet resistance. However, the welding strategy for silver nanowires (AgNWs), the primary material used in TCFs, can significantly affect the optical and electrical properties of the films. Herein, we report a simple and effective method for preparing AgNWs TCFs with superior broadband transparency and conductivity. By applying pressure to the surface of graphene, we successfully enhanced the tight connections between loose nanowires. Based on this, we developed a high-performance, wide-spectrum TCF and employed ultraviolet welding as its post-treatment method. The sheet resistance of the electrode decreased to 27.1 Ω sq -1 with the addition of graphene films, and subsequent UV light welding further reduced the resistance value by 25.1%. Moreover, the incorporation of graphene films provides excellent protection for AgNWs against oxidation. One month later, compared to AgNWs without a protective coating, the increase in sheet resistance was reduced by 414.6%. This study provides a new method for preparing TCFs with wide spectrum and high performance.

This study revealed for the first time the anti-obesity effect of summer-autumn tea aqueous extract (SATE) and its underlying mechanism. High-fat diet (HFD)-fed C57BL/6J mice were treated with or without 400 mg kg -1 SATE for 12 weeks, and administration of SATE significantly ameliorated glucolipid metabolism disorder and induced beige-fat development and brown adipose tissue (BAT)-derived non-shivering thermogenesis via the AMPK-PGC-1α-UCP1 signal axis in HFD-fed mice. 16S rDNA-based microbiota and targeted metabolomics analyses indicated that SATE improved intestinal microbiota dysbiosis and microbial metabolism abnormality caused by HFD, reflected by a dramatic increase in the relative abundance of Muribaculaceae , Bifidobacterium and Odoribacter and production of short-chain fatty acids (SCFAs). Interestingly, SATE-induced thermogenesis was highly correlated with the reconstruction of the gut microbiome and the formation of SCFAs. These findings suggest that SATE has the potential to alleviate obesity by activating adipose browning and thermogenesis in association with the reconstruction of the gut microbiota and its metabolites, providing a theoretical foundation for summer-autumn tea as a functional tea to prevent obesity.

We employed density functional theory (DFT) calculations to elucidate the mechanism and origin of enantioselectivity in the C-H hydroxylation reaction catalyzed by a chiral manganese porphyrin complex. Our study reveals that the chiral manganese porphyrin forms a two-point hydrogen bonding interaction with the substrate. Specifically, the hydrogen atom abstraction of the methylene pro -( S ) C-H bond at the heterocyclic C-3 position is 1.9 kcal mol -1 favored over the hydrogen atom abstraction of the pro -( R ) C-H bond. This preferential reactivity results in the predominant formation of ( S )-hydroxylated products. Our DFT calculations are consistent with the experimental findings of high enantioselectivity in the chiral manganese porphyrin catalyzed C(sp 3 )-H hydroxylation of lactam derivatives. The observed enantioselectivity arises from the formation of two-point hydrogen bonding between lactam derivatives and manganese porphyrin catalysts. Moreover, our computations indicate varying degrees of substrate distortion upon attack by high-valent manganese oxygen complexes at different hydrogen atoms.

Metal-organic gels (MOGs) are emerging soft materials with distinct metal active centers, multifunctional ligands and hierarchical porous structures, showing promising potential in the field of electrocatalysis. However, the reconfiguration of MOGs during the electrocatalytic process remains underexplored, with current studies in early developmental stages. To deeply investigate the application of MOG materials in electrocatalysis, the compositional transformations and structural changes under an electrochemical activation method were studied in detail, leading to high-performance OER pre-electrocatalysts. XRD and HRTEM results demonstrate the complete reconfiguration of amorphous Fe 5 Ni 5 -MOG into crystalline NiOOH/FeOOH heterostructures. The synergistic effect of the bimetallic center and the rich NiOOH-FeOOH interface in the reconstituted Re-Fe 5 Ni 5 -MOG exhibit excellent OER activity in alkaline electrolytes, with low overpotentials (205 mV at 10 mA cm -2 ) and a Tafel slope of 58 mV dec -1 . In situ characterization during the electrocatalytic process reveals the gradual transformation of the metal center into metal hydroxyl oxides upon increasing the voltage to 1.55 V. DFT analysis suggests that in the Fe-Ni double site reaction pathway, active substances preferentially adsorb on the Fe site before the Ni sites., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Due to its abundance, high theoretical capacity, and environmental benefits, tin dioxide (SnO 2 ) shows great potential as an anode material in sodium-ion batteries (SIBs). However, the inadequate electrical conductivity and significant volume fluctuations during the Na + insertion/extraction process are major limitations to its practical application. Herein, few-layered MoS 2 @SnO 2 @C (FMSC) composites with hierarchical nanostructures were prepared through a two-step hydrothermal method. As expected, the electrochemical tests show that the FMSC exhibits superior electrochemical properties, such as an outstanding rate capability of 288.9 mA h g -1 at a current density of 2 A g -1 , a high reversible capacity of 415.9 mA h g -1 after 50 cycles at a current density of 0.1 A g -1 , and remarkable cycling stability of 158.4 mA h g -1 after 4400 cycles at a current density of 5 A g -1 , as an anode material for SIBs. The exceptional performance can be attributed to the presence of a thin layer of MoS 2 , which enhances surface electrochemical reactions and provides a flexible structure.

This study employs Mendelian randomization to investigate the causal relationships between dietary factors, gut microbiota, and urinary tract infections (UTIs). Our analysis revealed statistically significant associations, including high alcohol intake, cheese, and oily fish consumption with UTI risk, as well as links between UTI risk and specific gut microbiota, such as Prevotellaceae , Butyrivibrio , Anaerotruncus , and Dorea . Additionally, we observed associations with inflammatory markers, including C-Reactive Protein and Interleukin-6. Although the observed effects of these dietary factors on UTI risk are minimal and may limit their clinical relevance, these findings can still hold significant implications at the population level in public health. This research offers novel insights into the interplay between diet, gut microbiota, and UTI risk, laying a foundation for future studies. Further research is warranted to validate these associations and to explore the underlying mechanisms and their broader impact on public health.

Systemic lupus erythematosus (SLE) is a chronic autoimmune disease characterized by widespread organ and tissue involvement, with lupus nephritis (LN) being one of its most severe complications. Dietary flavonoids, as for their anti-inflammatory and antioxidant properties, have shown therapeutic potential under various inflammatory conditions. Apigenin (AP) is one of the most studied phenolics and is found in many fruits, vegetables and herbs. This study aimed to investigate the therapeutic effects and underlying mechanisms of apigenin on LN. We evaluated the effects of apigenin on MRL/lpr mice, a well-established model for spontaneous LN. Apigenin treatment improved peripheral blood profiles, reduced serum inflammatory cytokines (IL-6, IFN-γ, IL-17, TGF-β), lowered levels of autoantibodies (ANA, anti-dsDNA) and alleviated renal damage caused by autoantibodies and inflammatory cell infiltration. The results of immunohistochemistry and transcriptome analysis showed that AP could inhibit the infiltration of CD8 + cells in renal tissues. Single-cell sequencing public data from LN patients identified cytotoxic T lymphocytes (CTLs) as the primary CD8 + T cell subtype in the kidneys, with their differentiation regulated by STAT3. In this study, cell experiments demonstrated that AP can induce apoptosis in CD8 + T cells and reduce their recruitment of macrophages by inhibiting the STAT3/IL-17 signaling pathway. These findings highlight that a diet rich in dietary flavonoids, particularly apigenin, can offer therapeutic benefits for patients with SLE.

The presence of vacancy defects significantly impacts thermal properties of materials. In this research, we delve into the effects of vacancy defects on the thermal conductivity of ternary alloy BaAgBi, employing molecular dynamics simulations coupled with a deep neural network potential (NNP). Initially, we validate the precision of our NNP by comparing their predictions for energy, atomic forces, phonon dispersion curves, phonon density of states, and vacancy formation energy with density functional theory calculations, ensuring a high degree of accuracy. Our findings reveal that the reduction in thermal conductivity due to vacancies aligns with the Debye-Callaway model, with variations depending on the type of vacancy. Specifically, Ba vacancies result in the most notable decrement in thermal conductivity, attributable to their low phonon participation ratio and high lattice distortion, both factors that enhance phonon scattering. Besides, we find that the high energy barrier (∼1.66 eV) indicates that Ba vacancies hardly migrate at 300 K. This study helps us understand how vacancies affect thermal conductivity in BaAgBi and how different vacancy types affect it.

Due to their rapid spread, high variability, and drug-resistant strains, new viral infections are continuously emerging. A lack of effective antiviral drugs and vaccines, resulting in disease and death, has significant socioeconomic consequences. Hemoperfusion can effectively adsorb and remove toxins from the blood, thus purifying the blood and serving as an acute treatment. Therefore, the aim of this study was to construct adsorbents to selectively remove viruses from the blood to quickly treat pathogen infection. We reported on new metal-organic framework (MOF)-polymer beads based on MIL-53(Al) and cellulose acetate (CNC), which were prepared by a one-step phase inversion method and applied as a viral hemo-adsorbent for the first time. The characterization results demonstrated that MIL-53(Al) was well dispersed in the CNC matrix. The adsorption results demonstrated that the capture efficiency of the human immunodeficiency virus (HIV) could exceed 99.93%, and the corresponding infectious titer decreased by approximately 10 3 times in clinical application. Moreover, CNC/MIL-53 exhibited low hemolysis ratios and good anticoagulant properties. Furthermore, molecular dynamics simulations revealed that the interplay of hydrogen bonding was the governing physisorption mechanism. Overall, CNC/MIL-53 could serve as a new type of hemoperfusion adsorbent for virus removal from blood and provide a new treatment pathway to mitigate epidemics.

Triple-negative breast cancer (TNBC) is an aggressive type of breast cancer and has many characteristics including high metastatic rates, poor overall survival, and low response to traditional chemotherapy. Photodynamic therapy (PDT), emerging as a precise treatment modality, has shown promise in improving the antitumor response. However, it still faces challenges such as limited light penetration depth, rapid oxygen consumption, and inadequate targeting ability. In this study, we developed Rose Bengal (RB, photosensitizer) and oxygen co-loaded CREKA-modified UCNP-based nanoliposomes (CLIP-RB-PFOB@UCNP) for tumor targeting and near-infrared (NIR)-triggered deep and long-lasting PDT. Our results demonstrated that CLIP-RB-PFOB@UCNP effectively targeted and accumulated in tumor tissue through the interaction between CREKA and fibronectin, which is overexpressed in tumor cells. Under NIR irradiation, CLIP-RB-PFOB@UCNP exhibited significant destruction of orthotopic tumors, reduced the level of HIF-1α, and efficiently suppressed lung metastasis in a metastatic TNBC model. In conclusion, this study offers new avenues for improving the therapeutic outcomes of PDT for clinical TNBC treatment.

Endoscopic tattooing is a localization technique that is particularly important for identifying gastrointestinal lesions for follow-up and subsequent treatment. However, the dyes currently used for endoscopic tattooing have a short tattooing time, high cost, and many side effects. Herein, we designed and prepared polydopamine (PDA) nanoparticles modified with polyvinylpyrrolidone (PVP) for endoscopic tattooing using a physical encapsulation method. PDA has good stability and high adhesion properties, and its stability was further enhanced after PVP modification. In vitro and in vivo tests demonstrated that PDA/PVP has good biosafety. Endoscopic tattooing with PDA/PVP in a porcine model showed that the dye could be stabilized in the digestive tract for at least 60 days. Furthermore, our research results demonstrated that PDA/PVP has excellent reactive oxygen species (ROS) and reactive nitrogen species (RNS) scavenging ability and can promote wound healing. Overall, the strategy proposed herein will lead to the use of an innovative dye for endoscopic tattooing of gastrointestinal lesions.

The drug design principles are of great value in developing nanomedicines with favorable functionalities. Herein we propose a nanocarbon-enabled hybridization strategy to construct a pharmacologically cooperative nanodrug for improved cancer therapy in the light of pharmacophore hybridization in medicinal chemistry and the synthetic principles of nanocarbons. An antioxidant defense pharmacological inhibitor and a co-nucleation precursor are structurally hybridized into nanodrugs (SCACDs) via forming carbon quantum dots. These SCACDs elicit dual enhanced bioactivities, including superior sonocatalytic activity that arose from the appropriate band structure of the pharmacophoric carbon cores, and more than an order of magnitude higher antioxidant defense inhibitory activity than the pharmacological inhibitor via conveying the bioactive pharmacophores from the molecular level to nanoscale. In vivo , SCACDs possess a long body retention and desirable biodistribution to eliminate melanoma cells at a very low injection dose. The present study provides a viable yet effective strategy for the development of pharmacologically cooperative nanodrugs to achieve remarkably improved therapeutic efficacy., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Hydrophilic antifouling coatings based on zwitterionic polymers have been widely applied for the surface modification of bone implants to combat biofilm formation and reduce the likelihood of implant-related infections. However, their long-term effectiveness is significantly limited by the lack of effective and precise antibacterial activity. Here, a pH-responsive smart zwitterionic antibacterial coating (PSB/GS coating) was designed and robustly fabricated onto titanium-base bone implants by using a facile two-step method. First, dopamine (DA) and a poly(sulfobetaine methacrylate- co -dopamine methacrylamide) (PSBDA) copolymer were deposited on implants via mussel-inspired surface chemistry, resulting in a hydrophilic base coating with abundant catechol residues. Next, an amino-rich antibiotic, gentamicin sulfate (GS), was covalently linked to the coating through the formation of acid-sensitive Schiff base bonds between the amine groups of GS and the catechol residues present in both the zwitterionic polymer and the DA component. During the initial implantation period, the hydrophilic zwitterionic polymers demonstrated the desired anti-fouling properties that could effectively reduce protein and bacterial adhesion by over 90%. With time, the bacterial proliferation led to a decrease in the microenvironment pH value, resulting in the hydrolysis of the acid-sensitive Schiff base bonds, thereby releasing GS on demand and effectively enhancing the anti-biofilm properties of coatings. Benefiting from this synergistic antifouling and smart antibacterial activities, the PSB/GS coating exerted an excellent anti-infective activity in both in vivo preoperative and postoperative infection rat models. This proposed facile yet effective coating strategy is expected to provide a promising solution to combat bone implant-related infections.

This study was designed to verify the anti-obesity effect of dietary turmeric powder (TP) as a traditional cooking spice and its underlying mechanism. The HFD-fed C57BL/6J mice were supplemented with or without TP (8%) for 12 weeks. The results indicated that the glucolipid metabolism disorder of high-fat diet (HFD)-fed mice was significantly ameliorated through the supplementation of TP. The consumption of TP also induced beige-fat development and brown adipose tissue (BAT)-derived nonshivering thermogenesis in HFD-fed obese mice. 16S rDNA-based microbiota or targeted metabolomics analysis indicated that TP ameliorated the intestinal microbiota dysbiosis and microbial metabolism abnormality caused by HFD, reflected by dramatically increasing the relative abundance of Muribaculaceae , Candidatus_Saccharimonas , and Bifidobacterium and production of short-chain fatty acids (SCFAs) and succinate. Interestingly, TP-induced BAT thermogenesis and iWAT browning were highly correlated with the reconstruction of the gut microbiome and formation of SCFAs and succinate. Collectively, these findings manifest beneficial actions of TP on the promotion of adipose browning and thermogenesis in association with gut microbiota reconstruction, and our findings may provide a promising way for preventing obesity.

Photocatalysis is a widely recognized green and sustainable technology that can harness inexhaustible solar energy to carry out chemical reactions, offering the opportunity to mitigate environmental issues and the energy crisis. Photocatalysts with wide spectral response and rapid charge transfer capability are crucial for highly efficient photocatalytic activity. Atomically precise metal nanoclusters (NCs), an emerging atomic-level material, have attracted great interests owing to their ultrasmall size, unique atomic stacking, abundant surface active sites, and quantum confinement effect. In particular, the molecule-like discrete electronic energy level endows them with small-band-gap semiconductor behavior, which allows for photoexcitation in order to generate electrons and holes to participate in the photoredox reaction. In addition, metal NCs exhibit strong light-harvesting ability in the wide spectral UV-near IR region, and the diversity of optical absorption properties can be precisely regulated by the composition and structure. These merits make metal NCs ideal candidates for photocatalysis. In this review, the recent advances in atomically-precise metal NCs for photocatalytic application are summarized, including photocatalytic water splitting, CO 2 reduction, organic transformation, photoelectrocatalytic reactions, N 2 fixation and H 2 O 2 production. In addition, the strategy for promoting photostability, charge transfer and separation efficiency of metal NCs is highlighted. Finally, a perspective on the challenges and opportunities for NCs-based photocatalysts is provided.

Organohalides are vital organic building blocks with applications spanning various fields. However, direct halogenation of certain neutral or unreactive substrates by using solely the regular halogenating reagents has proven challenging. Although various halogenation approaches via activating halogenating reagents or substrates have emerged, a catalytic system enabling broad substrate applicability and diverse halogenation types remains relatively underexplored. Inspired by the halogenation of arenes via thianthrenation of arenes, here we report that thianthrene, in combined use with trifluoromethanesulfonic acid (TfOH), could work as an effective catalytic system to activate regular halogenating reagents (NXS). This new protocol could accomplish multiple types of halogenation of organic compounds including aromatics, olefins, alkynes and ketones. The mechanism study indicated that a highly reactive electrophilic halogen thianthrenium species, formed in situ from the reaction of NXS with thianthrene in the presence of TfOH, was crucial for the efficient halogenation process., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Non-transition metal doping, especially for Mg, has been gradually employed to optimize the electrochemical performance of Li-rich cathode material Li 2 MnO 3 . However, the effects of Mg doping on the electrochemical behavior of Li 2 MnO 3 have not been studied extensively. In this work, we investigate the effect of Mg doping at both the 2b (in the Li/Mn mixed layer) and 4h (in the Li layer) Li sites on the electrochemical properties of Li 2 MnO 3 through first-principles calculations and ab initi o molecular dynamics simulations. The local lattice structure, electronic density of states, Bader charge, delithiation voltage, lattice oxygen stability and Li diffusion kinetics are examined. Electronic structure analysis shows that Mg can activate the electrochemical activity of surrounding Mn by charge transfer, making Mn participate in charge compensation at the initial delithiation stage. Mg doping can also cause an increase in the average oxygen vacancy formation energy and hence depress the oxygen release during the delithiation process. Molecular dynamics simulations show that the diffusion kinetics of Li ions in Mg 2b -Li 2 MnO 3 is enhanced with respect to the undoped one, whereas Mg doped at the 4h site cannot improve the diffusion kinetics of Li ions. Further studies found that Mg doped at the 2b site results in a decrease in the energy barrier for the intra-layer diffusion and an increase in the energy barrier for the inter-layer diffusion of the nearby Li vacancies.

Photocatalysis, which is an alternative technology to conventional methods, utilizes solar energy as the driving force to address environmental concerns and has attracted widespread attention from chemists worldwide. In this study, a series of photocatalytic materials composed of agricultural waste and titanium dioxide (TiO 2 ) nanomaterial was prepared for the synergistic adsorption-photocatalytic reduction of hexavalent chromium in wastewater under mild conditions. The results showed that the TiO 2 nanomaterial exhibited a higher photogenerated carrier separation efficiency and performance for the adsorption-photocatalytic reduction of Cr(VI) after loading straw biochar (BC). When the loading amount of BC was 0.025 g ( i.e. , TBC-3), the removal efficiency of Cr(VI) was as high as 99.9% under sunlight irradiation for 25 min, which was 2.9 and 3.5 times higher than that of pure TiO 2 and BC samples, respectively. Additionally, after four cycles of experiments, the removal efficiency of Cr(VI) by TBC-3 remained at about 93.0%, proving its good chemical ability in our reaction system. Its excellent adsorption-photocatalytic performance is mainly attributed to the synergistic effect of the strong adsorption of BC and the outstanding photocatalytic performance of TiO 2 . Finally, the possible mechanism for the synergistic adsorption-photocatalytic reduction on BC/TiO 2 to remove the highly toxic Cr(VI) in wastewater was proposed.

Glycans, along with proteins, nucleic acids, and lipids, constitute the four fundamental classes of biomacromolecules found in living organisms. Generally, glycans are attached to proteins or lipids to form glycoconjugates that perform critical roles in various biological processes. Automatic synthesis of glycans is essential for investigation into structure-function relationships of glycans. In this study, we presented a method that integrated magnetic bead-based manipulation and modular chemoenzymatic synthesis of human milk oligosaccharides (HMOs), on a DMF (Digital Microfluidics) platform. On the DMF platform, enzymatic modular reactions were conducted in solution, and purification of products or intermediates was achieved by using DEAE magnetic beads, circumventing the intricate steps required for traditional solid-phase synthesis. With this approach, we have successfully synthesized eleven HMOs with highest yields of up to >90% on the DMF platform. This study would not only lay the foundation for OPME synthesis of glycans on the DMF platform, but also set the stage for developing automated enzymatic glycan synthesizers based on the DMF platform., Competing Interests: The authors declare no competing interest., (This journal is © The Royal Society of Chemistry.)

The combining use of BnSCF 2 D, m CPBA and Tf 2 O serves as an efficient multi-component reagents system (MCRS) for the synthesis of deuteriodifluoromethylthiolated isocoumarins-1-imines/isocoumarins via intramolecular cyclization/deuteriodifluoromethylthiolation of 2-alkynylbenzamides/2-alkynylbenzoates. The approach features the generation of the crucial reactive electrophilic sulfonium salt through a sequence process involving the oxidation of BnSCF 2 D by m CPBA followed by Tf 2 O promoted activation.

Recently, there has been a significant interest in the study of highly active and stable transition metal-based electrocatalysts for the oxygen evolution reaction (OER). Non-noble metal nanocatalysts with excellent inherent activity, many exposed active centers, rapid electron transfer, and excellent structural stability are especially promising for the displacement of precious-metal catalysts for the production of sustainable and "clean" hydrogen gas through water-splitting. Herein, efficient electrocatalyst N-doped nickel molybdate nanorods were synthesized on Ni foam by a hydrothermal process and effortless chemical vapor deposition. The heterostructure interface of N-NiMoO 4 /NiO 2 led to strong electronic interactions, which were beneficial for enhancing the OER activity of the catalyst. Excellent OER catalytic activity in 1.0 M KOH was shown, which offered a small overpotential of 185.6 mV to acquire a current density of 10 mA cm -2 (superior to the commercial benchmark material RuO 2 under the same condition). This excellent electrocatalyst was stable for 90 h at a constant current density of 10 mA cm -2 . We created an extremely reliable and effective OER electrocatalyst without the use of noble metals by doping a nonmetal element with nanostructured heterojunctions of various active components.

Shape memory polymers (SMPs), which initiate shape transformation in response to environmental stimuli, have attracted significant attention in both academic research and technological innovation. The combination of functional nanomaterials and SMPs has led to the emergence of a variety of shape memory polymeric nanocomposites (SMPNs) with multifunctional properties. This has injected new vitality and vigor into fields such as tissue engineering, biomedicine, optical sensing, aerospace and mechanical engineering. In this review article, we present a brief introduction to the fundamentals of SMPs and SMPNs, followed by a discussion of the recent advances in their multifunctional applications in biomedical manufacturing, drug delivery devices, mechanical sensing, micro-engines, etc . The opportunities and challenges in the future development of SMPs are also discussed.

Herein, we report an easily oxidized Co-Fe perovskite fluoride as an efficient catalyst for the oxygen evolution reaction (OER). In situ Raman spectroscopy showed that the presence of F promotes reconstruction to form highly active (Co 3+ Fe 3+ )OOH, and the current density of 10 mA cm -2 can be achieved at the overpotential of only 118 mV in 1 M KOH aqueous solution. This work helps to understand the role of fluoride during the OER.

Fenton chemistry-mediated antimicrobials have demonstrated great promise in antibacterial therapy. However, the short life span and diffusion distance of hydroxyl radicals dampen the therapeutic efficiency of these antimicrobials. Herein, inspired by the neutrophil extracellular trap (NET), in which bacteria are trapped and agglutinated via electronic interactions and killed by reactive oxygen species, we fabricated a NET-mimic nanoparticle to suppress bacterial infection in a "trap & kill" manner. Specifically, this NET-mimic nanoparticle was synthesized via polymerization of ferrocene monomers followed by quaternization with a mannose derivative. Similar to the NET, the NET-mimic nanoparticles trap bacteria through electronic and sugar-lectin interactions between their mannose moieties and the lectins of bacteria, forming bacterial agglutinations. Therefore, they confine the spread of the bacteria and restrict the bacterial cells to the destruction range of hydroxyl radicals. Meanwhile, the ferrocene component of the nanoparticle catalyzes the production of highly toxic hydroxyl radicals at the H 2 O 2 rich infection foci and effectively eradicates the agglutinated bacteria. In a mouse model of an antimicrobial-resistant bacteria-infected wound, the NET-mimic nanoparticles displayed potent antibacterial activity and accelerated wound healing.

By means of ab initio density functional theory calculations taking into account electronic correlation and van der Waals force, we conducted comprehensive studies of the electronic and magnetic properties, as well as structural and magnetic ordering evolution under pressure of the square lattice antiferromagnets AMoOPO 4 Cl (A = K, Rb) containing Mo 5+ ions with , theoretically predicted as the potential candidates for achieving quantum phases, existing in the boundary regimes for square lattice magnets. Our results indicate that the columnar antiferromagnetic ordering, experimentally determined, is the magnetic ground state of the ambient P 4/ nmm phase, stabilized by the predominant antiferromagnetic next nearest neighbor interaction J 2 in the diagonal directions of the square lattice, regardless of the effective Hubbard amendment values. More importantly, the P 4/ n phase, involving the mutual twisting of the MoO 5 Cl and PO 4 polyhedra, satisfactorily reproduces the experimentally observed structural transition and the subsequent magnetic ordering transition from columnar antiferromagnetic ordering to Néel antiferromagnetic one, identified to be the appropriate high pressure structure. Furthermore, the mechanism underlined responsible for the magnetic ordering transition at high pressure has been disclosed in terms of density of states and spin density isosurface analysis across the transition. The loss of mirror plane symmetry in the P 4/ n phase activates the P 3s orbitals to participate in the magnetic interaction, giving rise to a competitive ferromagnetic superexchange interaction, in addition to antiferromagnetic direct one, and consequently initiating the magnetic ordering transition. The insights revealed here not only deepen our understanding of the electronic properties and structural and magnetic ordering transitions under high pressure of square lattice antiferromagnets AMoOPO 4 Cl (A = K, Rb), but also push the boundaries of knowledge by recognizing the role of nonmagnetic ions P 3s in magnetic exchange coupling.

The rapid advancement in the fabrication and culture of in vitro organs has marked a new era in biomedical research. While strides have been made in creating structurally diverse bioartificial organs, such as the liver, which serves as the focal organ in our study, the field lacks a uniform approach for the predictive assessment of liver function. Our research bridges this gap with the introduction of a novel, machine-learning-based "3P model" framework. This model draws on a decade of experimental data across diverse culture platform studies, aiming to identify critical fabrication parameters affecting liver function, particularly in terms of albumin and urea secretion. Through meticulous statistical analysis, we evaluated the functional sustainability of the in vitro liver models. Despite the diversity of research methodologies and the consequent scarcity of standardized data, our regression model effectively captures the patterns observed in experimental findings. The insights gleaned from our study shed light on optimizing culture conditions and advance the evaluation of the functional maintenance capacity of bioartificial livers. This sets a precedent for future functional evaluations of bioartificial organs using machine learning.

An innovative molecularly imprinted polymer membrane (MIPM) was prepared with polyvinylidene difluoride (PVDF) as the support, phenytoin (PHT) as the single template, methacrylic acid as the functional monomer, ethylene glycol dimethacrylate as the cross-linking reagent, azobisisobutyronitrile as the initiator, and acetonitrile-dimethylformamide (1 : 1.5, v/v) as the porogen. These materials were characterized via scanning electron microscopy, Fourier transform infrared spectroscopy, Brunauer-Emmett-Teller measurements and X-ray photoelectron spectroscopy. Their adsorption performances were evaluated through a series of experiments including isothermal adsorption, kinetic adsorption, selective adsorption, adsorption-desorption, reusability, and preparation reproducibility. Additionally, the application was explored by investigating the extraction recovery of MIPMs towards PHT, phenobarbital (PHB) and lamotrigine (LTG) in different matrices including methanol, normal saline (NS), phosphate buffer solution (PBS) and plasma. The results showed that MIPMs with rough and porous surfaces were successfully constructed, which offered good preparation reproducibility, reusability and selectivity. The adsorption capacities of MIPMs towards PHT, PHB and LTG were 2.312, 2.485 and 2.303 mg g -1 , respectively, while their corresponding imprinting factors were 8.538, 12.122 and 4.562, respectively. The adsorption equilibrium of MIPMs was achieved within 20 min at room temperature without stirring or ultrasonication. The extraction recoveries of MIPMs for PHT, PHB or LTG in methanol, NS and PBS were more than 80% with an RSD% value of less than 3.64. In the case of plasma, the extraction recovery of MIPMs for PHT and PHB was more than 80% with an RSD% value of less than 2.41, while that of MIPMs for LTG was more than 65% with an RSD% value of less than 0.99. All the results indicated that the preparation method for MIPMs was simple, stable, and reliable, and the prepared MIPMs possessed excellent properties to meet the extraction application of PHT, PHB and LTG in different matrices., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (This journal is © The Royal Society of Chemistry.)

The spirostanol saponin gitonin was efficiently synthesized in 12 steps (longest linear sequence) in 18.5% overall yield from the commercially available isopropyl β-D-1-thiogalactopyranoside (IPTG) and tigogenin. A cascade two-step glycosylation and Schmidt's inverse procedure significantly facilitated the synthesis of gitonin and its derivatives. The cytotoxic activities of gitonin and its structural analogues were evaluated against A549, HepG2, and MCF-7, and most of them exhibited moderate to excellent inhibitory activity. Our study demonstrates that the removal of the β-D-galactopyranosyl residue (attached at C-2 of the glucose unit) from gitonin would not decrease the inhibition activities; however, further cleavage of sugar units could seriously reduce the activities. A bioassay on these cancer cell lines also suggested that the presence of 2α-hydroxy on the aglycone weakened the cytotoxicity of the designed saponin.

Highly toughened and stiff polyamide 10,12 (PA10,12) composites present a promising alternative to metal products for high-impact environments. However, it is challenging to toughen PA10,12 composites without compromising their robustness. Herein, we report a facile and scalable route to simultaneously develop reinforced and toughened PA10,12 composites via compounding PA10,12, carbon nanotubes (CNTs) and 3-15alkyphenol (PDP). The PDP acted as a compatibilizer to well-disperse MWCNTs since they tended to be adsorbed onto the CNT surface, which was revealed by molecular dynamics simulation. According to the simulation statistics, the vertical PDP conformations (to the CNT surface) were predominant in the ternary composites with ∼78.7% probability. Moreover, the hydrogen bonds (H-bonds) between the PDP and the PA matrix were confirmed using FTIR. A crystallization kinetics study also revealed that the crystallization temperature increased from 166.7 °C for the neat PA10,12 to 168.7 °C for the ternary PA/PDP/CNT composites containing 1.5 wt% CNTs, while the crystallization half-time increased from 0.58 s for the neat PA10,12 to 1.2 s for the ternary composites. It was also found that the notched impact strength of the ternary composites reached 75.2 kJ m -2 , which was 970% higher than that of the neat PA10,12 without compromising their tensile strength of 50.5 MPa much. This work provides a new insight into PDP as a compatibilizer to develop simultaneously stiff and toughened nylon composites.

Functionalization is a major challenge for the application of photoswitches. With the aim to develop novel bis-functional azo photoswitches with stationary photophysical properties, a series of phenolylazoindole derivatives were designed, synthesized, and characterized via NMR spectroscopy studies and high-resolution mass spectrometry (HRMS). Herein, UV/Vis and 1 H NMR spectra revealed that the photostationary state (PSS) proportions for PSS cis and PSS trans were 76-80% and 68-81%, respectively. Furthermore, the thermal half-lives ( t 1/2 ) of compounds A2-A4 and B2 ranged from 0.9 to 5.3 h, affected by the diverse substituents at the R 1 and R 2 positions. The results indicated that azo photoswitches based on the phenolylazoindole scaffold had stationary photophysical properties and wouldn't be excessively affected by modifying the functional groups. Compounds A4 and B2, which were modified with an aryl group, also exhibited fluorescence emission properties (the quantum yields of A4 and B2 were 2.32% and 13.34%) through the modification of the flexible conjugated structure (benzene) at the R 2 position. Significantly, compound C1 was obtained via modification with a pharmacophore in order to acquire antifungal activities against three plant fungi, Rhizoctonia solani ( R. solani ), Botrytis cinerea ( B. cinerea ), and Fusarium graminearum ( F. graminearum ). Strikingly, the inhibitory activity of the cis -isomer of compound C1towards R. solani (53.3%) was significantly better than that of the trans -isomer (34.2%) at 50 μg mL -1 . In order to further reveal the antifungal mechanism, molecular docking simulations demonstrated that compound C1 effectively integrates into the cavity of succinate dehydrogenase (SDH); the optically controlled cis -isomer showed a lower binding energy with SDH than that of the trans -isomer. This research confirmed that phenolylazoindole photoswitches can be appropriately applied as molecular regulatory devices and functional photoswitch molecules via bis-functionalization.

Indole is a prestigious heterocyclic skeleton widely found in both naturally-occurring and biologically-active compounds. Pharmaceutical agents containing an indole skeleton in their framework possess a wide range of pharmacological properties, including antiviral, antitumor, analgesic, and other therapeutic activities, and many indole-containing drugs have been proven to have excellent pharmacokinetic and pharmacological effects. Over the past few decades, the FDA has approved over 40 indole-containing drugs for the treatment of various clinical conditions, and the development of indole-related drugs has attracted significant attention from medicinal chemists. This review aims to provide an overview of all the approved drugs that contain an indole nucleus, focusing on their targets, pharmacological activities, and SAR studies., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

The precise design and development of high-performing oxygen evolution reaction (OER) for the production of industrial hydrogen gas through water electrolysis has been a widely studied topic. A profound understanding of the nature of electrocatalytic processes reveals that Ni-based catalysts are highly active toward OER that can stably operate at a high current density for a long period of time. Given the current gap between research and applications in industrial water electrolysis, we have completed a systematic review by constructively discussing the recent progress of Ni-based catalysts for electrocatalytic OER at a large current density, with special focus on the morphology and composition regulation of Ni-based electrocatalysts for achieving extraordinary OER performance. This review will facilitate future research toward rationally designing next-generation OER electrocatalysts that can meet industrial demands, thereby promoting new sustainable solutions for energy shortage and environment issues.

Radioactive iodine in the nuclear field is considered very dangerous nuclear waste because of its chemical toxicity, high mobility and long radioactive half-life. Herein, a conjugated two-dimensional covalent organic framework, TPB-TMPD-COF, has been designed and synthesized for iodine capture. TPB-TMPD-COF has been well characterized by several techniques and showed long order structure and a large surface area (1090 m 2 g -1 ). Moreover, TPB-TMPD-COF shows a high iodine capture value at 4.75 g g -1 under 350 K and normal pressure conditions, benefitting from the increased density of adsorption sites. By using multiple techniques, the iodine vapor adsorbed into the pores may readily generate the electron transfer species (I 3 - and I 5 - ) due to the strong interactions between imine groups and iodine molecules, which contributes to the high iodine uptake for TPB-TMPD-COF. Our study will stimulate the design and synthesis of COFs as a solid-phase adsorbent for iodine uptake., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)