JOURNAL OF MOLECULAR STRUCTURE
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2026
·
IF 4.9
Na Yao,Lian Deng,Ziqing Weng,Yang Song,Ning Lei,Junda Liu,Neng Qiu
Podophyllotoxin (PPT) is a natural lignan antitumor compound, but its clinical application is significantly limited by poor water solubility and lack of selectivity. To address these issues, PPT was conjugated with a tumor-targeting ligand, biotin (Bio), through different linkers to prepare three PPT-Bio conjugates: podophyllotoxin-biotin (PB), podophyllotoxin-6-aminohexanoic acid-biotin (PACAB), and podophyllotoxin-3,3’-dithiobispropionic acid-ethanolamine-biotin (PSSB). These conjugates were subsequently complexed with HP-β-CD to form the corresponding inclusion complexes, aiming to improve both tumor-targeting capability and water solubility of PPT. Among them, the PSSB/HP-β-CD complex exhibited 5.68-fold increase in solubility compared to free PPT. In vitro release studies demonstrated that the PSSB/HP-β-CD inclusion complex exhibited an accelerated release under both acidic and reductive environment. Cellular uptake studies revealed significantly higher internalization of all three inclusion complexes in Hela cells compared to free PPT. The targeting specificity of biotin was confirmed by competitive inhibition of the biotin receptor (BR). Further endocytosis pathway studies showed that the internalization process was energy-dependent and involved multiple endocytic pathways. Cytotoxicity assays indicated that all compounds and complexes exhibited concentration-dependent cytotoxicity, with the three inclusion complexes showing significantly stronger antitumor activity than free PPT. Notably, the PSSB/HP-β-CD complex demonstrated the highest potency (IC50 =17.03μM). Additionally, these complexes exhibited low toxicity on normal cells and good hemocompatibility. Preliminary pharmacokinetic evaluation indicated favorable tissue distribution of the biotinylated prodrug conjugates. Therefore, the biotinylated prodrug inclusion complexes, particularly PSSB/HP‑β‑CD, demonstrate great potential as targeted antitumor agents with improved solubility and efficacy.
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JOURNAL OF NANOBIOTECHNOLOGY
·
2026
·
IF 15
Xia Dan,Wu Yumeng,Xu Ruodan,Zhou Linxi,Wu Xiaotong,Wang Donghui,Liang Chunyong,Li Ning
Diabetic foot ulcers (DFUs), prone to infection and deterioration without timely intervention, significantly increase risks of amputation and mortality. Elevated local temperature in DFUs further impedes the healing process. Although microneedles (MNs) represent a promising strategy for DFUs treatment, conventional passive drug release systems suffer from slow release kinetics and low utilization efficiency. To address these limitations, we developed a dual-thermo-responsive microneedle patch (DTMN) that actively controls drug delivery through temperature-induced structural transitions. The inner layer consists of sodium alginate-poly (N-isopropylacrylamide) (SA-PNIPAM) loaded with sucrose octasulfate sodium salt (SOS), utilizing the volume phase transition of PNIPAM to accelerate drug expulsion in response to temperature change. The outer layer comprises a polyethylene glycol/polylactic acid-glycolic acid copolymer (PEG-PLGA) loaded with urea, which undergoes gel-sol transition to facilitate controlled urea release and wound cooling. An upper electrospun nanofiber membrane made of poly (ε-caprolactone)/chitosan (PCL/CS) incorporated with tetracycline hydrochloride (TH) and SOS provides enhanced antibacterial efficacy and increased drug loading capacity. The resulting DTMN exhibits efficient drug release (85.23% SOS and 35.44% urea-derived ammonia at 24 h), remarkable antioxidant activities, potent antibacterial performance, excellent biocompatibility, and significantly enhanced wound healing. This multifunctional system offers a novel and effective strategy for the management of DFUs. Graphical A dual-thermo-responsive microneedle patch (DTMN) that actively controls drug delivery through temperature-induced structural transitions for DFUs treatment.
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CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
Xianru Bi,Yuxuan Xiao,Rongjie Zhang,Wei Sun,Yu Li,Chao Qi,Jiqin Lian,Lu Lu,Yingxue Hao
Abdominal aortic aneurysm (AAA) is a cardiovascular disease with extremely high mortality rate, yet its treatment options are still limited in the clinic. This study presents a carrier-free dual-drug nanoplatform to therapeutically reprogram macrophage fate for improving AAA treatment efficacy. The nanoplatform was synthesized through the self-assembly of naringenin (NGN) and rapamycin (RAP) and modified with DSPE-PEG 2K and DSPE-PEG 2K -cRGD (named RNR NPs) to confer AAA targeting capability. The RNR NPs could efficiently accumulate in AAA site after systemic administration for on-demand delivery of the NGN/RAP drug combination to vascular smooth muscle cells (VSMCs) and residing M1-like macrophages. Here the NGN and RAP components could cooperatively activate the transcription factor EB (TFEB) signaling in the AAA-residing pro-inflammatory M1-like macrophages to reprogram them into an anti-inflammatory M2-like phenotype to reverse local inflammation. Meanwhile, they could also scavenge reactive oxygen species in VSMCs and inhibit apoptosis signaling to inhibit VSMCs apoptosis and calcification. These effects could act in a cooperative manner for effectively ameliorating AAA symptoms in vivo . Overall, the RNR NPs present an approach for the efficient treatment of AAA in the clinic with optimal safety.
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Frontiers in Molecular Biosciences
·
2026
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IF 4
Yi Li,Zhu Ni,Xiao-Yong Xia,Na Cheng,Yu Bo,Junwen He,Yang He,Xiang-Yu Meng,Xu Wang,Xuan Xu
Background Metabolic disorders and neurocognitive diseases frequently co-occur, yet the specific mechanisms driving this comorbidity remain elusive. While epidemiological associations are well-documented, the causal links between these conditions are complex and incompletely understood, necessitating a systems-level investigation into their shared biological architecture. Methods This study integrates large-scale human genetics with experimental in vivo transcriptomics and computational chemistry to elucidate these shared pathways. Specifically, an AD-like murine model was used to experimentally prioritize a core network of 13 dysregulated genes within a pathologically relevant context. Results Network-informed Mendelian randomization identified bidirectional causalities, including a 14% elevated dementia risk from type 2 diabetes and protective effects of obesity against parental Alzheimer’s disease (AD). The study identified a signature encompassing key lipid metabolism hubs APOE, CLU , and LDLR . This signature serves as a critical biological filter, anchoring human genetic associations by providing direct evidence of their dysregulation in a neurodegenerative environment. Subsequent chemical enrichment and molecular docking analyses indicated that these experimentally-prioritized targets are engaged by both therapeutic agents (e.g., valproic acid) and environmental toxins (e.g., benzo[a]pyrene). Conclusion This multi-modal investigation provides a robust framework that converges on a high-confidence, 13-gene signature of lipid dysregulation as a central mechanistic interface, offering a powerful set of prioritized targets for future functional validation and therapeutic development at the metabolic-neurocognitive nexus.
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TALANTA
·
2026
·
IF 6.7
Shuang Cai,Bao-Wen Fan,Jia Qin,Cheng-Yang Pu,Ya-Jian Qin,Cong-Ting Wu,Wen Xu,Jing Li
Early diagnosis and therapeutic intervention for Alzheimer's disease (AD) necessitate advanced tools for detecting acetylcholinesterase (AChE) activity and screening AChE inhibitors (AChEIs). This study developed a novel bimetallic MOF nanozyme, Cu–NH 2 –88B(Fe), exhibiting significant peroxidase-like activity. This nanozyme was integrated with AChE to construct a dual-enzyme cascade biosensing platform, which achieved highly sensitive AChE detection, with a detection limit of 0.01 mU/mL, and demonstrated excellent accuracy in fetal bovine serum (spiked recoveries: 92.07–111.09%). Additionally, the platform also enabled quantitative assessment of synthetic AChEIs, determining IC 50 values for donepezil (9.85 nM), neostigmine (1.41 μM), huperzine A (6.21 μM), and galantamine (611.31 μM), all of which exhibited broad linear ranges and high sensitivity. All four compounds exhibited a broad linear range and excellent sensitivity. Innovatively, the platform was applied to screen AChE inhibitory activity in seven traditional Chinese medicines (TCMs). Crucially, when comparing four extraction methods, ultrasound-assisted extraction (UAE) proved most effective in liberating active compounds. The UAE-obtained extract of Poria cocos (Yunnan) showed the strongest inhibition, achieving an AChE inhibition rate of 39.03% at 0.01 mg/mL. Notably, the screening results across different species, origins, and extraction methods (including the superior UAE) showed high consistency with the classical Ellman method, validating the platform's reliability. This study not only provides a low-cost, easy-to-operate, sensitive, and reliable analytical strategy for AChE activity detection and AChE inhibitor development, but more importantly, it successfully applies nanozyme technology to the complex system of TCMs, offering strong technical support for the screening and preliminary identification of potential anti-AD active components from TCM resources.
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CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
Liu-Qing Gu,Xue-Wu Chen,Jun Long,Guang-Zhao Wang,Yan Wang,Ling-Hong Huang,Jian-Ming Ouyang,Xin-Yuan Sun
Crystalline nephropathy is a dynamic pathological process characterized by a self-amplifying feedback loop, where crystal-induced epithelial injury drives iterative crystal nucleation, growth, and aggregation, transforming the kidney into a persistent mineralization reactor. Current therapeutic approaches primarily rely on surgical intervention, which fails to disrupt this pathological cycle. The glomerular filtration barrier (10 nm threshold) limits the efficacy of conventional nanomedicines in renal delivery. This study constructs a 5.7 nm metal-polyphenol network, salvianolic acid B-Eu@BSA (SAB-Eu@BSA), via self-assembly methods for editing of the intrarenal crystal microenvironment, aiming to cut off the pathological cycle of renal mineralization. The SAB-Eu@BSA nanoplatform integrates a SAB Eu 3+ coordination core for dual-action: specific adsorption to the high-energy ( 1 ¯ 01) crystal faces of monohydrate calcium oxalate (COM) to inhibit its growth and promote phase transition to less toxic dihydrate phase, and broad-spectrum antioxidant activity to mitigate oxidative stress. The nanoplatform demonstrates enhanced crystal modulation efficacy, significantly reduces crystal-induced renal injury, and improves renal function in vivo. RNA sequencing analysis reveals modulation of key pathways, including oxidative stress, cell adhesion, and apoptosis. This multifunctional nanoplatform, combining crystal inhibition, oxidative stress regulation, and renal clearance, offers a promising therapeutic strategy for crystalline nephropathy.
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ACS Applied Materials & Interfaces
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2026
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IF 7.8
Leilei Zhang,Haoheng Bai,Weiqi Sun,Luqi Wang,Minyan Duan,Qianying Liu,Chao Zhou,Xueyang Fang,Tao Zhang
Triple-negative breast cancer (TNBC) treatment with traditional phototherapeutics generally suffers from short light penetration depth and limitations of the hypoxic tumor microenvironment. Developing effective therapeutic modalities tailored to TNBC’s features remains highly desirable yet challenging. Herein, we propose a near-infrared dual windows (NIR-II) photoacoustic (PA) cavitation-based strategy to amplify oxidative stress and induce metabolic disruption in TNBC cells, achieving effective tumor suppression. With a fabricated nanoagent (DTG), we integrated the oxygen-independent therapeutic effects of photomechanical damage, cavitation-promoted oxidative damage and glucose oxidase (GOx)-mediated glucose depletion. Specifically, under NIR-II pulsed laser (PL) irradiation, PA cavitation generates collapsing bubbles and shock waves, causing mechanical injury to tumor cells. Meanwhile, GOx depletes intratumoral glucose, blocking glycolysis, reducing adenosine triphosphate (ATP) production, and generating hydrogen peroxide (H2O2) that would be further converted into more toxic hydroxyl radicals (•OH) by the photocavitation to suppress the tumors effectively. In addition, the strong NIR-II PA signal produced from the DTG facilitates high-resolution deep-tissue imaging to provide precise therapeutic guidance. Thus, these findings establish the multimodal strategy as a potent candidate for TNBC management.
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ACS Catalysis
·
2026
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IF 13.6
Fan Chen,Jinming Wang,Yuan He,Dandan Liu,Lin Hu,Rui Shi,Yana Liu,Jiguang Zhang,Yunfeng Zhu,Jun Wang
Photocatalytic aerobic oxidation of methane (CH4) to methanol (CH3OH) offers an alternative to the current energy-intensive route for CH4 utilization, while suffering from the activity-selectivity trade-off due to the uncontrolled generation of reactive oxygen species (ROS). Herein, we perform the photocatalytic CH4 aerobic oxidation in the presence of H2 over a PdCu NPs-modified ZnO catalyst, which exhibits a CH3OH yield of 13.5 mmol gcat–1 h–1 and a selectivity of 71.1%, surpassing many previously reported results. The introduction of H2 enables more ROS production simultaneously from photoelectron-induced O2 reduction and in situ-produced H2O2, facilitating the conversion of CH4. Compared to Pd, the PdCu cocatalyst favors the generation of more •OOH radicals in the ROS. More importantly, it is proposed that intermediate CH3OOH can be converted to CH3OH by H2-derived Pd–H species, which could also scavenge the excessive •OH radicals and holes, thus promoting the productivity of CH3OH and suppressing overoxidation. This work provides a strategy to regulate ROS formation for efficient CH4 oxidation into CH3OH under mild conditions.
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NATURAL PRODUCT RESEARCH
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2026
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IF 1.8
Lin Zhang,Guanke Liu,Bingyang Zhang,Shiqing Song,Xiao Liu,Tie Yao,Feng Qiu,Feng Zhao
Two new secoiridoid glycosides, gentscaside A (1) and gentscaside B (2), were isolated along with three known compounds gentiopicroside (3), rindoside (4), gentiotrifloroside (5), from the Rhizomes of Gentiana scabra. The structures of the new compounds were determined by comprehensive NMR analysis, and their absolute configurations were determined on the basis of detailed spectroscopic analyses and acidic hydrolysis. The five compounds were evaluated for their anti-inflammatory activity (NO inhibitory activity in LPS-stimulated macrophages). Compounds 1, 4 and 5 showed significant inhibitory effects on LPS-induced NO release in RAW 264.7 cells. The IC50 values are 2.15 μM, 3.02 μM and 6.87 μM, respectively. Additionally, the potential anti-inflammatory mechanism of the active new compound 1 was explored.
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INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2026
·Vol. 27
·期 7
·2982
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IF 5.6
Na Ding,Juan Sun,Jin Li,Junwei Huo,Yan Zhang
The physicochemical and bioactive properties of polysaccharides from blue honeysuckle (Lonicera caeruleaL.) berries were comprehensively investigated. Fourier transform infrared spectroscopy confirmed that both samples were acid heteropolysaccharides. High-performance liquid chromatography detailed a monosaccharide profile of arabinose, galacturonic acid, rhamnose, galactose, and glucose in specific molar ratios. High-performance gel permeation chromatography further revealed variations in molecular weight and distribution among the samples. Functionally, the polysaccharides exhibited significant in vitro antioxidant capacity. For the first time, the polysaccharides are shown to inhibit pancreatic lipase, in addition to α-amylase and α-glucosidase, demonstrating potent inhibitory activity with low IC50values (2.80 ± 0.12 mg/mL). This bioactivity, particularly toward lipase, was correlated with structural properties such as monosaccharide profile and molecular weight. These results highlight the potential of these polysaccharides as functional food ingredients for managing hyperglycemia and obesity and provide novel insights into their structure–activity relationships.
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ACS Applied Materials & Interfaces
·
2026
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IF 7.8
Nannan Fu,Liyou Guo,Shili Zhou,Jinyang Wang,Zhixiong Zhan,Qiuhua Li,Jingyao Li,Jiaxuan Chen,Xiaoya Zhao,Ming Li,Yue Zheng,Dong-Yang Zhang
Utilizing nanotechnology to deliver multiple anticancer drugs holds the potential to enhance the anticancer effect. However, most drug carriers have limitations such as their own toxicity and low drug loading rate. Besides, depleting the excessive glutathione (GSH) in tumor cells not only induces ferroptosis in cancer cells but also has the potential to enhance photodynamic therapy. Inspired by previous work, hydroxyl groups were introduced into the ferroptosis inducer cinnamaldehyde to enhance its hydrogen bond interaction with the photosensitizer chlorins e6, thereby constructing stable self-assembled nanodrugs in solution and naming them TC. The prepared nanodrugs possess high drug loading capacity and acidic-responsive release properties, enabling efficient accumulation in tumor tissues. The TC not only consumes GSH through 3, 4, 5-trihydroxycinnamic aldehyde and down-regulate glutathione peroxidase 4, but also generates reactive oxygen species under irradiation, thereby increasing the level of lipid peroxidation and causing cancer cell apoptosis as well as ferroptosis. Additionally, the immunogenic cell death caused by combined therapy releases tumor-associated antigens, enhances antitumor immune responses, and inhibits tumor growth and metastasis in vivo and in vitro experiments, with no obvious toxicity. This study offers a unique molecular assembly modification strategy for the construction of self-assembled nanoplatforms to advance the field of carrier-free nanodrug.
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ACS Catalysis
·
2026
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IF 13.6
Guilan Xu,Huan Liu,Yunlong Zhang,Wangwang Zhang,Pan Gao,Guangjin Hou,Liang Yu,Xiaoju Cui,Dehui Deng
The photocatalytic conversion of CH4 and O2 to C1 oxygenates represents a promising route for chemical synthesis, yet current systems predominantly depend on metal-based catalysts to achieve efficient light harvesting and charge separation. Herein, we report a metal-free alternative using boron confined within g-C3N4 (B/C3N4), which achieves a C1 oxygenates production rate of 28.1 μmol gcat.–1 h–1 with a 60% improvement in activity compared with pristine g-C3N4. Combined experimental and theoretical investigations reveal that boron confinement in g-C3N4 induces orbital delocalization, which enhances charge carrier separation and creates dual-functional nitrogen sites that facilitate CH4 oxidation and O2 reduction reactions. Delocalized nitrogen sites with the lowest unoccupied molecular orbital are responsible for reducing O2 to •OH radicals, whereas counterparts with the highest occupied molecular orbital facilitate the oxidation of CH4 to •CH3 radicals. The resulting •OH radicals can either oxidize CH4 to generate •CH3 or directly combine with transient •CH3 radicals, initiating a cascade reaction that sequentially yields CH3OH, HOCH2OH, and HCOOH.
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