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Oxalyl dihydrazide (ODH) is a polymorphic organic compound, and distinct ODH polymorphs possess disparate physicochemical properties, including melting point, solubility, and dissolution kinetics. Under atmospheric pressure, the dynamic method was applied to obtain solid–liquid phase equilibrium information on α-ODH within the temperature range of 293.15–353.15 K. Twelve pure solvents were selected for the tests, namely, water, ethanol, acetic acid, dimethyl sulfoxide (DMSO), N -methyl-2-pyrrolidone (NMP), N- ethyl-2-pyrrolidone (NEP), N,N- dimethylacetamide (DMAC), N,N- diethylformamide (DEF), N,N- dimethylformamide (DMF), 1,3-dimethyl-2-imidazolidinone (DMI), hexamethylphosphoramide (HMPA), and formamide. Experimental results indicated that the solubility of α-ODH monotonically increased with the increase in temperature in all tested solvents. Three thermodynamic models (van’t Hoff equation, Yaws model, and the modified Apelblat equation) were employed to correlate the measured solubility data. In addition, the dissolution thermodynamic properties (Gibbs free energy, entropy, and enthalpy) of α-ODH in the tested solvents were calculated based on the experimental solubility data and the van’t Hoff equation. Moreover, Hirshfeld surface analysis was implemented to characterize dominant intermolecular contacts inside the α-ODH crystal lattice. The acquired solubility data offers reliable fundamental support for industrial crystallization optimization of α-ODH.
The practical application of manganese-based cathode materials in aqueous zinc-ion batteries (AZIBs) is hindered by their intrinsically low electrical conductivity and inadequate cycling stability. In this work, a MoO 3 @α-MnO 2 heterostructure was engineered through a self-assembly strategy, and its electrochemical performance as an AZIB cathode was systematically evaluated. The designed heterostructure synergistically integrates the beneficial properties of both phases, thereby simultaneously improving electronic conductivity and structural robustness. One-dimensional (1D) MoO 3 nanoribbons function not only as a structural template and mechanical support but also as a morphology-directing template, effectively optimizing the electronic interaction at the heterointerface and refining the particle size of α-MnO 2 , while their mechanically rigid framework alleviates cathode volume expansion during cycling. Furthermore, strong interfacial electronic interaction and charge redistribution at the heterointerface promote Zn 2+ diffusion kinetics and accelerate redox reaction rates. When employed as a cathode, the MoO 3 @α-MnO 2 composite delivers a high discharge specific capacity of 290.55 mAh g −1 at 0.2 A g −1 and retains 209.71 mAh g −1 after 150 cycles, demonstrating superior cycling stability. Excellent capacity recovery is also observed in rate capability tests, highlighting its reversible electrochemical behavior. Density functional theory (DFT) calculations further corroborate the enhanced electrochemical performance of the heterostructure, while in-situ electrochemical impedance spectroscopy (EIS), along with ex-situ XRD and XPS analyses, elucidate the dynamic structural evolution and underlying charge storage mechanism. This study presents a promising strategy for designing high-performance manganese-based cathodes for advanced AZIBs.
Replacing α -hydroxyl group with an α , β -unsaturated group markedly enhanced the decomposition reactivity of dimer. • α , β -Unsaturated group promoted C α ─C β bond cleavage, while α -hydroxyl group led to β -O-4 bond cleavage. • α , β -Unsaturated group accelerated reaction rate ∼14-fold at 120 °C. • Dehydration of α -hydroxyl group into α , β -unsaturated group facilitated lignin depolymerization. Lignin is a promising feedstock for the production of monomeric aromatics, which can be further upgraded into valuable chemicals or fuel hydrocarbons. In this work, the effect of the α , β -unsaturated group on the conversion of lignin and its β -O-4 model dimers into monomeric aromatics was investigated. The results showed that replacing the native α -hydroxyl group with an α , β -unsaturated group markedly enhanced the decomposition reactivity of the dimer. Specifically, the α , β -unsaturated group promoted C α ─C β bond cleavage, whereas the native α -hydroxyl group led to β -O-4 bond cleavage. This significant enhancement in reactivity was consistent across varied reaction conditions and enabled near-quantitative yields of monomeric aromatics from the dimer containing the α , β -unsaturated group. Kinetic analyses indicated apparent first-order kinetic behavior for both dimers, showing that the α , β -unsaturated group accelerated the reaction rate by a factor of approximately 14 at 120 °C. Moreover, an α , β -unsaturated group generated in situ via dehydration of the α -hydroxyl group during pretreatment effectively facilitated lignin depolymerization. This work outlines a promising approach for developing efficient lignin depolymerization technologies targeting monomeric aromatics.
Acorus tatarinowii , a traditional Chinese medicinal herb, is used clinically to treat neurological and respiratory disorders. Our previous work showed that α-asaronol (α-AOL), a low-toxicity natural constituent of A. tatarinowii , exerts robust antiepileptic effects through γ-aminobutyric acid (GABA)ergic modulation. Given the critical role of the peripheral GABAergic system in asthma pathogenesis and inflammation regulation, the therapeutic potential of α-AOL for asthma warrants investigation. This study evaluated the efficacy, safety, and pulmonary targeting of both nebulized and oral α-AOL. Murine asthma models were established using ovalbumin (OVA) and house dust mite (HDM). Both nebulized α-AOL (5, 10, 20 mg/kg) and oral α-AOL were administered, with α-asarone, and albuterol as references. Histological, biochemical, and functional assessments were performed to evaluate lung inflammation, mucus secretion, cytokine levels (IL-4, IL-5, IL-13, TNF-α), airway smooth muscle (ASM) relaxation, and airway hyperresponsiveness (AHR). Pharmacokinetic and safety profiles were determined via HPLC tissue distribution analysis, human ether-à-go-go related gene (hERG) assays, and monitoring of respiratory and cardiovascular function. Nebulized α-AOL dose-dependently alleviated OVA/HDM-induced airway inflammation, characterized by reduced inflammatory cell infiltration, cytokine release, mucus hypersecretion, and AHR. It also induced concentration-dependent ASM relaxation and demonstrated dual therapeutic activity by both preventing and reversing methacholine (Mch)-induced acute bronchospasm. Nebulization provided sustained lung targeting (≥60 min retention). α-AOL exhibited negligible hERG inhibition (IC 50 > 100 μM), no adverse respiratory effects, and no significant impact on blood pressure. In conclusion, nebulized and oral α-AOL possesses potent anti-inflammatory and bronchodilatory activities; the nebulized formulation shows favorable lung-targeted delivery and an excellent safety profile, positioning it as a promising inhaled candidate for asthma therapy, particularly in pediatric populations.
Neuroprotective effects of statins in Parkinson’s disease (PD) remain uncertain, and their activity in genetic α-synuclein (αSyn) disease models has been insufficiently characterized. We evaluated atorvastatin (ATO) in a mouse model with nigral overexpression of human A53T-mutant αSyn. Mice received ATO by oral gavage at 10 mg/kg/day for 5 weeks and were assessed using behavioral testing, neuropathological assessment, brain transcriptomics, and molecular docking. ATO inhibited cholesterol biosynthesis-related transcriptional programs and broadly remodeled lipid metabolism-associated networks, but did not lead to functional or histopathological benefit. ATO did not ameliorate motor deficits, restore dopaminergic markers, or reduce αSyn protein levels or pSer129-αSyn immunoreactivity. Transcriptomic analysis further showed that ATO failed to reverse the core disease-associated signature induced by A53T αSyn overexpression and instead increased SNCA mRNA. Targeted RNA-seq and western blot analyses showed no parallel increase in Prkn , Gba1 , or Lamp2 transcript abundance or in PARKIN, GBA1, or LAMP2A protein expression. Molecular docking, used here as an exploratory structural comparison, suggested a relatively weak predicted interaction between ATO and αSyn when compared with several other statins and provided supportive context for the lack of efficacy. Overall, our findings indicate limited efficacy of ATO in this αSyn-driven setting and support further comparative evaluation of individual statins across complementary PD models. Graphical
Phosphorus-doped α-manganese dioxide cathode material was successfully synthesized. • P-α-MnO 2 possesses excellent electrochemical performance. • P doping can enhance structural stability of the α-MnO 2 phase. MnO 2 is recognized as a highly competitive cathode candidate for aqueous zinc-ion batteries (AZIBs) thanks to its low fabrication cost and considerable reversible capacity. However, MnO 2 suffers from severe manganese dissolution and structural phase transitions during cycling, leading to crystalline phase instability and thus severely limiting further performance enhancement of AZIBs. Herein, we successfully construct Phosphorus‑incorporated α‑MnO 2 (P-α-MnO 2 ) via an ion doping strategy and evaluate its electrochemical performance in AZIBs. PMO-2 delivers a peak capacity of 440.7 mAh g −1 at 0.1 A g −1 after 20 cycles and sustains 89% capacity (192–170.8 mAh g −1 ) upon 1500 cycles at 1.5 A g −1 , exhibiting better retention compared with pristine α-MnO 2 that maintains merely 49.6% (159–78.9 mAh g −1 ). Combined structural characterizations and DFT calculations indicate that the boosted performance of P-α-MnO 2 stems from phosphorus doping strengthening the crystalline stability of α-MnO 2 . It can substantially cut down Zn 2+ adsorption energy as well as ion‑migration barriers, which alleviates lattice‑channel destruction caused by Zn 2+ insertion‑extraction and preserves the tunnel‑type crystal framework of α‑MnO 2 throughout charge‑discharge operations. This work provides important theoretical foundations and design strategies for the further development of low-cost, high-stability, and high-energy-density manganese-based cathode materials. Download: Download high-res image (148KB) Download: Download full-size image
A library of 37 Nicα GP mutants was built by computational engineering. • L226Y/V437L/F751H showed 2.10 fold higher activity than WT Nicα GP. • The triple mutant improved thermostability and kinetics. • Cascade productivity increased by 26.5 % at a cellobiose/G4 ratio of 1:2. • Structural analysis linked activity gains to regulatory layer optimization. Converting non-food cellulosic sugars into programmable amylose offers a route to higher-value carbohydrate materials. α -Glucan phosphorylase ( α GP) controls glucose-1-phosphate (G-1-P)-dependent chain elongation in cellobiose-to-amylose cascades. Here, Nicotiana attenuata α GP ( Nicα GP) was engineered by integrating AlphaFold3-based structural modeling, ProteinMPNN, EVcouplings, structural priors, and DynaMut2 filtering. Of 916 candidate substitutions, 37 were selected for experimental validation, and combinatorial screening identified L226Y/V437L/F751H as the optimal triple mutant, with 2.10-fold higher relative activity than the same-batch wild-type (WT) control and clear positive epistasis. The mutant further shifted the optimal temperature from 40 to 45 °C, increased thermal transition midpoint from 56.2 to 58.8 °C, and enhanced catalytic efficiency toward both maltotetraose and G-1-P. In the Clostridium thermocellum cellobiose phosphorylase ( Ct CBP)– Nicα GP cascade, L226Y/V437L/F751H reached 38.86 ± 2.06 % conversion at 72 h versus the previously reported WT value of 35.84 ± 1.04 % at 84 h, increasing apparent productivity by 26.5 %. Docking, CAVER, and molecular dynamics (MD) analyses suggested that these gains may be associated with optimization of structural regions surrounding the conserved catalytic core. This work provides an engineered α GP for amylose synthesis from cellobiose and supports peripheral regulatory engineering as a practical strategy for improving phosphorylase-based biocatalytic cascades. Download: Download high-res image (230KB) Download: Download full-size image
Background Sarcopenia is a prevalent disorder among postmenopausal women, representing a debilitating condition with limited treatment options. Icariin (ICA), a prenylated flavonol glycoside, is commonly used in conditions associated with estrogen deficiency; however, its efficacy and mechanism in postmenopausal sarcopenia remain undefined. Purpose This study aimed to evaluate the therapeutic effect of ICA on postmenopausal sarcopenia and to elucidate its underlying mechanism, with a focus on the estrogen receptor α/fatty acid transport protein 1 (ERα/FATP1) pathway. Study design An integrated approach was employed, combining in vivo pharmacological evaluation, multi-omics analyses, and in vitro mechanistic validation. Methods The in vivo therapeutic effect of oral ICA was assessed by evaluating muscle function, histology, and senescence markers. Human muscle transcriptome datasets and mouse single-cell RNA sequencing data were analyzed. In vitro validation was performed in D-galactose-induced senescent C2C12 myoblasts. Target engagement was confirmed by molecular docking, cellular thermal shift assay, and surface plasmon resonance, and mechanistic validation was performed via FATP1 knockdown. Results Oral administration of ICA significantly improved muscle mass, function, and fiber cross-sectional area, while attenuating lipid deposition and cellular senescence. Single-cell RNA sequencing revealed a diminished myoblast pool with downregulated ERα in aged muscle. This finding aligns with human transcriptome data, linking reduced ERα/FATP1 signaling and dysregulated fatty acid metabolism to sarcopenia. Metabolomic analysis identified FATP1 as a critical transporter of eicosapentaenoic acid and docosapentaenoic acid, which activated the protein kinase B/ mammalian target of rapamycin pathway to promote myogenesis. Importantly, ICA functioned as a dual-target agonist, directly binding to and upregulating both ERα and FATP1, thereby elevating eicosapentaenoic/ docosapentaenoic acid levels and reactivating the protein kinase B/ mammalian target of rapamycin/ myogenic differentiation 1 axis. The specificity of this pathway was confirmed, as FATP1 knockdown completely abrogated the protective effects of ICA. Conclusion This study identifies the ERα/FATP1 axis as a pivotal therapeutic target for sarcopenia. ICA, acting as a first-in-class dual agonist of this pathway, represents a promising candidate for sarcopenia treatment by synchronously modulating estrogen signaling and fatty acid metabolism. Download: Download high-res image (181KB) Download: Download full-size image
A novel Eudragit S100-coated and mannose-modified liposome enables colon-specific and macrophage-targeted siRNA delivery. EML/siRNA exhibit excellent stability, biocompatibility, and efficient intracellular delivery siRNA. • The nanocarrier protects TNF-α siRNA from Gastrointestinal (GI) degradation and achieves responsive release in the colon. • Treatment in IBD models significantly downregulates pro-inflammatory cytokines and promotes tissue repair. • The platform provides a targeted and improved therapeutic strategy for precise IBD management. Inflammatory bowel disease (IBD) is a chronic and clinically important intestinal disorder with rapidly rising global incidence and prevalence. While biological therapies targeting tumor necrosis factor-alpha (TNF-α), a key cytokine in IBD pathogenesis, have shown clinical efficacy, their use is often limited by systemic adverse effects. RNA interference (RNAi) offers a promising strategy for precise gene silencing, yet its therapeutic application is constrained by the poor stability and inefficient in vivo delivery of small interfering RNA (siRNA). To overcome these challenges, we developed a macrophage-targeted, colon-specific liposomal system for delivering TNF-α siRNA. The liposomes were functionalized with mannose to selectively engage the mannose receptor (MR, CD206), highly expressed on macrophages, and coated with Eudragit S100 (ES100), a pH-responsive polymer that shields siRNA from gastrointestinal degradation and enables site-specific release in the colon. The resulting ES100-coated, mannose-modified liposomes (EML/siRNA) demonstrated enhanced cellular uptake and efficient siRNA delivery to macrophages both in vitro and in vivo. In animal models of IBD, treatment with EML/siRNA significantly downregulated pro-inflammatory cytokine, alleviated intestinal inflammation, and promoted mucosal tissue repair, as evidenced by histopathological analysis. This study introduces a dual-functional nanotherapeutic platform that combines targeted RNAi-mediated TNF-α silencing with colon-specific delivery and mucosal protection, offering a promising and refined therapeutic strategy for IBD. Download: Download high-res image (159KB) Download: Download full-size image
L-α-Glycerylphosphorylcholine (GPC) is a key biosynthetic precursor of the human neurotransmitter acetylcholine with multiple biological functions. Currently, the enzymatic preparation of GPC is limited by the poor stability, low reusability and unsatisfactory catalytic efficiency of free phospholipase A 1 (PLA1). To address these limitations, this study constructed aqueous catalytic system using anion-exchange acrylic resin LXTE-902 immobilized PLA1 as the biocatalyst and egg yolk lecithin (PC) as the substrate for GPC preparation. The results indicated that LXTE-902 exhibited excellent immobilization performance for PLA1, with an immobilization capacity of 65.9 mg/g. Under optimized conditions, the immobilized PLA1 efficiently catalyzed PC hydrolysis within 1 h, achieving a high GPC yield of 93.7%. A facile solvent extraction and precipitation purification method was further developed to efficiently separate free fatty acids from the reaction system, affording high-purity GPC with a purity of 92%. Compared with free PLA1, the immobilized biocatalyst possessed superior storage stability, pH tolerance and solvent tolerance, and retained a GPC yield of 40% after seven reuse cycles. This work demonstrates that LXTE-902-immobilized PLA1 is an efficient, stable and recyclable biocatalyst. The proposed enzymatic strategy provides a promising technical reference for industrial-scale production of high-purity GPC.
The accurate quantification of α-glucosidase (α-Glu) activity and its inhibitor is of vital for diabetes diagnosis and drug screening. Enzyme activity could be detected by developing a sensing method based on nanozyme-involved cascade reaction. However, such a cascade reaction typically produces only one signal, whereas the fabrication of multifunctional nanozymes toward this end remains a formidable challenge. Herein, iron-doped fluorescent polymer dots (Fe-PDs) were one-pot synthesized under mild conditions. Iron doping accelerates PDs formation and imparts prominent peroxidase (POD)-like activity to the material. The as-prepared Fe-PDs could catalyze the oxidation of colorless TMB by H 2 O 2 to form chromogenic oxTMB, which quenched the intrinsic fluorescence of Fe-PDs via the inner filter effect (IFE). Relying on three-catalyst cascade catalysis of α-Glu, glucose oxidase (GOx) and POD, this work constructed a highly sensitive colorimetric-fluorescent sensing platform. By introducing p -nitrophenyl-α-D-glucopyranoside (PNPG) as the substrate, the system enables quantitative analysis of H 2 O 2 , glucose, α-Glu activity as well as α-Glu inhibitors. Benefiting from cascade-induced signal amplification, the dual-modal assay enables quantitative analysis of α-Glu activity with linear ranges of 0.2–20 mU/mL (colorimetry) and 0.2–25 mU/mL (fluorometry), and detection limits of 0.10 and 0.094 mU/mL, respectively. Furthermore, this assay enables the screening of α-Glu inhibitors (AGIs) and determination of AGIs in real samples, which shows satisfactory consistency compared with the traditional PNPG assay, demonstrating the great application prospects for clinical diagnosis and anti-diabetic drug discovery.
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