Chemical Research in Chinese Universities

Chemical Research in Chinese Universities Vol.42 No.2 February 2026

2026, 42(2): 0-0.

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Recent Advances in Ultrasmall Fluorescent Nanoparticles for In vivo Biosensing

ZHOU Xiaomeng, HUANG Saijin, CAI Ke, SONG Enpeng, SHANG Li

2026, 42(2): 389-399. doi:10.1007/s40242-026-6001-8

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Monitoring the level and dynamics of biologically essential species in living organisms is significant for understanding cellular functions and diagnosing relevant diseases, thus the development of reliable in vivo detection methods is highly important. Ultrasmall-sized fluorescent nanoparticles have emerged as ideal sensing probes due to their easy preparation, distinct photophysical properties and good biocompatibility. This review summarizes recent advances in developing four representative types of ultrasmall fluorescent nanoparticles (quantum dots, metal nanoclusters, lanthanide-doped nanoparticles, and carbon dots) for the detection of various targets (e.g., pH, metal ions, microRNA) at the in vivo level. Their design mechanism, sensing performance and potential application are discussed in detail. Finally, current challenges and future prospects toward more intelligent and clinically translatable in vivo biosensors are also discussed.

Polymer-based Phototherapeutic Nanoagents for Multimodal Image-guided Cancer Therapy

WANG Zhixiong, ZHANG Zhenhui

2026, 42(2): 400-411. doi:10.1007/s40242-026-5315-x

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Polymer-based phototherapeutic nanoagents provide an effective route to integrate fluorescence (FL) and photoacoustic (PA) imaging with photothermal therapy (PTT) and photodynamic therapy (PDT). This review highlights covalently engineered polymer-chromophore systems, in which photothermal agents or photosensitizers are incorporated into polymer backbones via robust linkages (e.g., amide/ester and related bonds) or through polymerizable chromophore monomers. Tumor microenvironment-responsive motifs (e.g., disulfide and thioketal units) further enable activatable behavior and improved selectivity. Importantly, amphiphilic conjugates self-assemble into nanodots, polymersomes, and nanofibers, and assembly morphology and chromophore packing can reprogram excited-state pathways, thereby tuning FL/PA outputs, photothermal conversion, and Type I/II ROS generation. We discuss representative porphyrin/phthalocyanine, heptamethine cyanine, Changsha Red (xanthene-derived), and Nile Blue platforms for multimodal image-guided cancer phototherapy, including mechanism-integrated strategies, such as microenvironment activation, organelle targeting, and immunomodulation. Finally, we outline key challenges and opportunities for translation, including quantitative structure-property correlations, scalable morphology control, standardized photophysical reporting, and biosafety evaluation.

Urine-based Biomarkers: Progress, Challenges, and Prospects

WU Shunli, LI Manying, SHI Jiayi, SUN Wenbo, LI Kaidi, HOU Xiaoyun, CAI Qiliang, KONG Deming

2026, 42(2): 412-435. doi:10.1007/s40242-026-5303-1

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Urine, recognized as “liquid gold,” contains a wealth of biomolecules, such as nucleic acids, proteins, and extracellular vesicles, reflecting the body’s physiological and pathological states. In recent years, urine biomarker analysis has shifted from qualitative, single-target detection toward quantitative, multi-target and omics-based approaches, enhancing early disease screening and dynamic monitoring. Compared to blood or tissue biopsies, urine testing offers a non-invasive, simple, and repeatable sampling alternative. However, clinical implementation remains limited by insufficient diagnostic accuracy and lack of standardized, multicenter validation. This review systematically summarizes reported urine biomarkers across various diseases, outlines detection technologies and performance, discusses current challenges, and provides perspectives for future development to facilitate the translation of urine-based diagnostics into clinical practice.

Peptide-based Biosensing and In vivo Imaging Approaches for Early Detection and Targeted Therapy of Diabetic Retinopathy

WEI Qinsong, MA Bing, WANG Weizhi

2026, 42(2): 436-455. doi:10.1007/s40242-026-6003-6

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Diabetic retinopathy (DR) is a major microvascular complication of diabetes, with early dysfunction occurring at molecular and cellular levels that traditional clinical imaging fails to capture. Advances in in vivo imaging and biosensing enable real-time, dynamic, and molecular-scale assessment of retinal pathology. Peptides, owing to their high specificity, tunable structures, and biocompatibility, serve as ideal linkers between molecular recognition and imaging or sensing signal output. This review highlights recent progress in peptide-based in vivo imaging and biosensing strategies for DR, emphasizing probe design principles, molecular targeting mechanisms, and current application challenges. By integrating chemical biology with emerging analytical technologies, peptide-driven approaches hold strong promise for early diagnosis and continuous monitoring of DR, facilitating future translation toward precision ophthalmic medicine.

A Highly Sensitive Near-infrared Organic Fluorescent Probe for Peroxynitrite Imaging in Alzheimer's Disease Model Mouse Brain

ZHANG Wenjing, HAN Yujie, CHAN Chenming, ZHANG Qi-Wei

2026, 42(2): 456-462. doi:10.1007/s40242-026-5196-z

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Alzheimer's disease (AD) is a progressive neurodegenerative disorder, whose pathogenesis is closely associated with oxidative stress. As a key biomarker of oxidative stress, peroxynitrite (ONOO^-) plays a critical role in the onset and progression of AD. Consequently, developing efficient tools for ONOO^- detection is crucial for the early diagnosis and pathological investigation of AD. In this study, we designed and synthesized a novel near-infrared (NIR) fluorescent probe, termed CNOP, for the specific recognition and detection of ONOO^-. The probe demonstrated excellent optical responses to ONOO^-, including high selectivity, outstanding sensitivity (with a detection limit in the nmol/L range), a large Stokes shift, and notably, a significant NIR fluorescence enhancement exceeding 300-fold. Leveraging these superior analytical properties, we successfully applied CNOP for the NIR fluorescence imaging of ONOO^- in both live cells and the brains of AD model mice. The imaging results clearly revealed a markedly elevated level of ONOO^- in the AD model mice brain compared to that of the wild-type control group, highlighting the probe's considerable potential for application in AD pathological research.

A Large-Stokes-shift Iridium(III) Complex-based Hypochlorous Acid Probe for In vivo Imaging of Inflammatory Arthritis

HU Xinru, LIU Wanxin, WANG Xiaoqiang, PENG Shuxin, JI Bolin, WEI Peng, GUO Zhijun

2026, 42(2): 463-469. doi:10.1007/s40242-026-5304-0

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Elevated hypochlorous acid (HOCl) levels are closely associated with the onset and progression of inflammatory joint diseases, highlighting the need for imaging probes capable of rapid and accurate HOCl detection in complex biological environments. However, most small-molecule organic fluorescent probes suffer from small Stokes shifts (<100 nm) and severe spectral overlap with excitation light and tissue autofluorescence, which limits their performance in vivo. Here we report an Ir(III) complex-based luminescent probe, Ir-COOH, featuring a large Stokes shift. In aqueous media, Ir-COOH shows an absorption maximum at ca. 540 nm and an emission maximum at ca. 710 nm, corresponding to a Stokes shift of ca. 170 nm, thereby minimizing self-absorption and background interference. Ir-COOH responds to HOCl with fast signal turn-off, high sensitivity (limit of detection: 148.61 nmol/L), excellent selectivity over other reactive species, and good stability across physiologically relevant pH values. Cell experiments indicate low cytotoxicity, and HOCl can be visualized in paraformaldehyde-fixed ATDC5 via luminescence quenching. Moreover, Ir-COOH enables in vivo imaging of endogenous HOCl in a λ-carrageenan-induced mouse arthritis model, providing a sensitive tool for studying HOCl-associated inflammatory arthritis.

¹⁹F NMR Chemical Shift-switching Probes Enabling Simultaneous Detection of Senescence-associated β-Galactosidase and Monoamine Oxidase A

XIA Ruimin, ZENG Yu, LU Yumeng, WANG Jingyu, LI Ling, LUO Xiangjie, QIAN Yong

2026, 42(2): 470-476. doi:10.1007/s40242-026-5265-3

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¹⁹F NMR chemical shift-switching probes are highly effective tools for investigating complex biological processes, primarily due to their capacity to produce distinct, crosstalk-free signals from multiple biomarkers. Capitalizing on this capability, we have developed two sets of ¹⁹F NMR probes specifically designed for identifying senescence-associated β-galactosidase (β-gal) and monoamine oxidase A (MAO-A). The probes G-3F and G-F were engineered for β-gal detection, while M-3F, M-2F, and M-F were tailored for MAO-A detection. Among them, probes G-F and M-F demonstrated superior chemical shift changes relative to their series counterparts: G-F's ¹⁹F signal shifted from δ-77.8 to δ -81.8 after reaction with β-gal, while M-F's signal shifted from δ -115.7 to δ -109.2 upon encountering MAO-A. Crucially, the resulting signals are well-separated, which facilitates simultaneous detection without mutual interference, as successfully verified in senescent cell models.

A Dual-channel Probe for Detection of O₂^·- Based on ¹⁹F Nuclear Magnetic Resonance and Surface Enhanced Raman Spectroscopy

ZHOU Juyue, JIANG Baian, XU Suying, WANG Leyu

2026, 42(2): 477-484. doi:10.1007/s40242-026-6061-9

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As a key precursor of reactive oxygen species (ROS), the superoxide anion (O₂^·^-) plays a pivotal role in maintaining redox homeostasis in living systems. However, the accurate and reliable detection of O₂^·^- remains a significant challenge, particularly for in vivo detection. Herein, we report a dual-channel probe for O₂^·^- detection based on ¹⁹F nuclear magnetic resonance (¹⁹F NMR) and surface-enhanced Raman scattering (SERS) spectroscopy. Through structure engineering, the molecular probe (FS) was designed, which selectively reacted with O₂^·^-, generating a characteristic chemical shift in ¹⁹F NMR. Notably, the fragment released upon reaction with O₂^·^- serves as an effective SERS reporter, thereby enabling complementary dual-channel sensing of superoxide anion. Furthermore, as a proof-of-concept, probe FS was explored as a synthetic biomarker for urinalysis to detect O₂^·^- generated in vivo and found clear different metabolic patterns between healthy and liver-injured models, suggesting its potential for in vivo detection.

Interfacial SERS Analyzer Based on Silver Nanoparticles Array for In vivo Monitoring of 5-Hydroxytryptamine in Rat Brain Microdialysates and Serum

GUO Xinjian, SHI Lu, LI Yanlin, LI Xinyue, WANG Weikang, ZHANG Limin

2026, 42(2): 485-492. doi:10.1007/s40242-026-5208-z

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Reliable determination of chemical expression in the brain is crucial for understanding and elucidating the molecular mechanisms underlying brain function. As a powerful analytical tool, surface-enhanced Raman scattering (SERS) has been widely employed to probe trace analytes in biological samples. However, the application of SERS for trace detection is often hindered by background interference and the influence of non-adsorptive molecules near the SERS hotspots. Herein, we developed a functionalized AgNPs-based interfacial SERS platform at the 1,2-dichloroethane/water (DCE/W) interface. This platform utilized a 5-hydroxytryptamine (5-HT) aptamer, labeled with carboxy rhodamine, as a specific Raman reporter to achieve high selectivity for 5-HT through conformational changes. Simultaneously, the AgNPs are tightly packed at the DCE/W interface to ensure a uniform distribution of hotspots, enhancing both the detection sensitivity and reproducibility of 5-HT. Combined with the microdialysis technique, this SERS platform was successfully applied for the detection of 5-HT in rat serum and cerebral microdialysates under spontaneous hypertension.

Chiral ZnO Nanoparticles Synergistically Inhibiting Fibrillization and Disaggregating of Amyloid-β Fibrils for Attenuation Neurotoxicity

HE Yaojing, ZHAO Xiaoyu, HAN Yurong, WU Lie, WANG Hongda, JIANG Xiue

2026, 42(2): 493-503. doi:10.1007/s40242-026-5293-z

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Amyloid aggregations are closely associated with various neurodegenerative diseases, and Amyloid-β (Aβ) deposition is recognized as the core in pathophysiology of Alzheimer's disease (AD). Several approaches targeting of Aβ have been developed that focus on the inhibition of Aβ aggregation or elimination of Aβ fibril. Chirality is intrinsic to life and plays important role in biological processes. Chiral effect provides a pioneering strategy for therapeutic applications. In this study, small size chiral zinc oxide nanoparticles (ZnO NPs) with excellent dispersibility and stability were synthesized, and exhibited chirality-dependent inhibition of fibrillization and disaggregation of Aβ fibrils. Cellular experiments revealed that chiral ZnO NPs can effectively alleviate Aβ-induced cytotoxicity and protect neuronal cells. These findings demonstrate that chiral ZnO NPs hold substantial potential for anti-amyloidosis and underscore the promising of chiral nanomaterials in biomedical field.

In-depth Phosphoproteome Analysis from Microscale Samples with Rapid In-situ One-tip IMAC Strategy

LIN Yao, WANG Xinyu, WANG Xinyue, LUO Mingyue, YANG Mei, WU Ci

2026, 42(2): 504-513. doi:10.1007/s40242-026-5299-6

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Compared to advancements in microscale sample proteomics, phosphoproteomics sensitivity has lagged behind due to low abundance, complex sample preparation, and substantial sample input requirements. We developed a simple and rapid in-situ one-tip immobilized metal affinity chromatography (IMAC) phosphoproteomics workflow integrated with data-dependent acquisition without exclusion mass spectrometry for microscale phosphoproteomic analysis. The phosphopeptide enrichment material, made from hydrophilic cotton fibers with immobilized titanium ions, is easy to pack into a pipette tip. It enables fast, efficient enrichment through aspiration and dispensing, minimizing sample loss and enhancing sensitivity. Ti-cotton tip successfully enriched phosphopeptides from protein standard digests and exhibited a high selectivity [bovine serum albumin (BSA)/standard phosphopeptide=2000:1)], and enabled 10332 phosphosites assigned to 1992 phosphoproteins from 20000 HeLa cells. Furthermore, a large scale of 36521 phosphosites assigned to 4452 phosphoproteins with 8952 new sites could be identified by using 30 μg of HeLa cell lysates as starting material via combination with high-pH reversed-phase (RP) fractionation. Taken together, our strategy is promising to serve as a widely applicable and robust platform for achieving large-scale and highly sensitive phosphopeptide enrichment and expanding our knowledge of phosphoproteomics in complex microscale biological systems.

Ultra-sensitive One-step Platform for Logic Screening and Detecting of HPV Genotypes via a Programmable Amplification-transcription Cascade

TIAN Zilin, QI Lijuan, WANG Lingxuan, YANG Tianshi, DU Yan

2026, 42(2): 514-525. doi:10.1007/s40242-026-5313-z

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Ultra-sensitive, versatile, and contamination-resistant nucleic acid detection remains a major challenge in molecular diagnostics, particularly for applications requiring simultaneous pathogen screening and precise genotyping. Herein, we report a programmable, label-free isothermal sensing strategy termed probe-initiated amplification and transcription for high-sensitivity sensing platform (PATSP), which decouples target recognition from signal generation via a universal signal-transduction architecture. In this system, target-specific hybridization events are converted into a universal intermediate trigger that activates a fixed amplification-transcription cascade, generating malachite green (MG) RNA aptamers as the fluorescent output. By integrating loop-mediated isothermal amplification (LAMP) with in situ transcription in a single closed-tube format, PATSP achieves high sensitivity while effectively suppressing aerosol contamination and false-positive signals. Notably, only minimal probe sequence replacement is required for new targets, enabling one-tube multiplex screening using a single primer pair without primer cross-reactivity. Under optimized conditions, PATSP enables attomolar-level detection of multiple human papillomavirus (HPV) genotypes (11, 16, 18, and 52) and human immunodeficiency virus (HIV) over a wide dynamic range. Clinical validation using cervical secretion samples showed 100% concordance with quantitative polymerase chain reaction (qPCR) for both HPV screening and genotyping. Collectively, PATSP provides a robust and broadly applicable platform for nucleic acid diagnostics and point-of-care testing.

An Activatable Nitrobenzoselenadiazole-based Probe for Selective Protein Labeling and Targeted Phototherapy

REN Xiaojie, YI Wenlong, YANG Li, YE Xinyu, LI Cheuk Hin, ZHANG Fan, LIN Jiafu, SUN Hongyan

2026, 42(2): 526-533. doi:10.1007/s40242-026-6017-0

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Developing fluorescent probes with high selectivity for target proteins in living cells remains a significant challenge. Conventional probes, such as nitrobenzoxadiazole (NBD) derivatives, often suffer from limited selectivity and short emission wavelengths, limiting their performance in complex biological environments. Here, we report the design and synthesis of NBSe-biotin, a red-emitting fluorescent probe based on the nitrobenzoselenadiazole (NBSe) scaffold. Compared to NBD analogues, NBSe-biotin exhibits red-shifted absorption and emission, enhanced chemical selectivity, and a turn-on fluorescence response upon specific binding to avidin, with emission at 604 nm. Live-cell imaging demonstrates that NBSe-biotin selectively visualizes overexpressed biotin receptors on HeLa cell membranes, with minimal background fluorescence in 293T control cells. Beyond imaging, this strategy enables the covalent attachment of small-molecule photosensitizers to proteins, and the receptor-mediated activation of NBSe-biotin phototoxicity in live cells illustrates its potential to incorporate diverse cancer biomarker-targeting ligands. Together, these features establish NBSe-biotin as a versatile platform for fluorescence-guided protein detection, live-cell imaging, and targeted phototherapy.

Well-tailored Photosensitizers with Boosted Type-I ROS Generation by Fluorination Strategy for Precise Near-infrared Fluorescence-guided Photodynamic Therapy

GAO Yuxuan, KONG Qiyu, WANG Jun, SUN Fengwei, LIU Xinyu, WANG Deliang, LI Jiangao, YANG Zhen

2026, 42(2): 534-546. doi:10.1007/s40242-026-5314-y

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Developing organic type I photosensitizers (PSs) that generate less oxygen-dependent reactive oxygen species (ROS) has long been recognized to be an appealing yet significantly challenging task in the field of photodynamic therapy (PDT), owing to the high oxygen dependency of conventional PDT, which impairs its overall therapeutic efficacy, particularly in hypoxic solid tumors. Herein, a molecular fluorination strategy to finely regulate PSs with bright near-infrared (NIR) fluorescence and superior type I ROS generation ability was exploited. Benefited from the improved donor-acceptor interaction, promoted intersystem crossing process, and increased spin-orbit coupling (SOC) constant, the optimal TIBT-5F simultaneously exhibits broad absorption with a larger molar extinction coefficient in the visible-light region, bright NIR fluorescence emission and stronger type I ROS generation efficiency, making TIBT-5F a promising candidate for precise NIR fluorescence-guided PDT. The as-prepared TIBT-5F nanoparticles (NPs) can quickly accumulate in the tumor site, effectively produce both type II and type I ROS and prominently suppress the tumor growth under a safe white light irradiation (40 mW/cm²) with minimized systemic toxicity. This study thus offers a new insight into constructing advanced type I PSs for precise fluorescence imaging-guided tumor theranostics.

Novel Naphthylamide-based Fluorescent Probe for Detecting Lipid Hydroperoxides in Ferroptosis

KONG Lingxiu, LI Li, ZHAO Li, DENG Zhaohu, BAO Luo, QIU Xue, WANG Yong

2026, 42(2): 547-555. doi:10.1007/s40242-026-5307-x

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Ferroptosis represents a novel form of cell death distinct from other types, characterized primarily by the accumulation of lipid peroxides (LPO) in the membrane system. The development of specific probes for detecting ferroptosis-associated LPO remains challenging. The widely recognized sensor Liperfluo, for instance, is hampered by poor photostability, underscoring the need for improved molecular tools. Herein, we developed a series of novel fluorescent probes by replacing the conventional light-sensitive perylene with a stable naphthalimide core and systematically tuning the electronic properties of the triphenylphosphine (TPP) recognition head with different substituents (—OCH₃, —CF₃). The optimized probe NP-1, incorporating a trifluoromethyl group, demonstrates both superior stability under ambient conditions and specific recognition of lipid hydroperoxides, yielding a robust fluorescence enhancement of >6-fold. It was revealed that the electron-withdrawing —CF₃ group stabilizes the TPP moiety by lowering its electron density, thereby enhancing oxidative resistance. Furthermore, NP-1 enables to monitor RSL3-induced ferroptosis in live cells and the signal is specifically abolished by ferroptosis inhibitor. This work not only delivers a reliable sensor for detecting ferroptosis but, more importantly, establishes a general design principle by electronic modulation of the phosphorus center to develop stable and specific TPP-based probes for redox biology.

An Exploration for Elementary Revolution

ZHANG Tiankai

2026, 42(2): 556-556. doi:10.1007/s40242-026-6041-0

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Repurposing COX-2 Inhibitors for Cancer Therapy: Advances in Nanomedicine Delivery

XU Henan, ZHANG Ruohao, WANG Daguang, JIANG Yuxin, FENG Jing, ZHANG Hongjie

2026, 42(2): 557-570. doi:10.1007/s40242-026-5309-8

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Cyclooxygenase-2 (COX-2) inhibitors are widely used as anti-inflammatory agents in clinical treatments. Increasing evidence indicates that COX-2 is overexpressed in most tumors, and its downstream metabolites play crucial roles in tumor inititation, growth, and metastasis. Although COX-2 inhibitors do not exert direct cytotoxic effects on cancer cells, they can suppress tumor progression by reducing the production of prostaglandin E₂ (PGE₂). Therefore, COX-2 inhibitors have emerged as promising antitumor adjuvants. However, when combined with conventional antitumor drugs, the clinical application of COX-2 inhibitors is often limited by mismatched physicochemical properties and dose-related adverse effects. Nanotechnology offers effective solutions to these challenges by improving drug delivery efficiency and reducing systemic toxicity. In this review, we summarize the rationale and fundamental mechanisms underline the antitumor effects of COX-2 inhibitors. We further highlight their emerging role as antitumor companions in synergistic immunotherapy, suppression of tumor recurrence after chemotherapy, enhancement of chemotherapy efficacy, amplification of photothermal and photodynamic therapies (PDT/PTT), and facilitation of combination strategies involving ferroptosis.

Natural Product Modulation of Oxidative Stress in the Treatment of Extrinsic Skin Aging: Mechanisms of Action and Future Perspectives

ZHANG Xiujun, WANG Jiaxuan, KANG Jingjing, LI Jingqi, LI Junchen, GUO Chenqi, HAO Zhiqiang, LIU Dingbin

2026, 42(2): 571-585. doi:10.1007/s40242-026-6027-y

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Extrinsic skin aging reflects cumulative exposome stressors, dominated by ultraviolet radiation and compounded by pollution and smoking. These inputs converge on oxidative stress, which triggers stress kinases and inflammatory transcriptional programs, elevates matrix metalloproteinases, suppresses collagen-anabolic signaling, and weakens the epidermal barrier. Here, we synthesize natural products that target this cascade and organize them by biological source and chemical scaffold to link structure with mechanisms. We map actions onto two tracks: damage interception by limiting reactive oxygen species (ROS) and stress signaling, including Nrf2-linked defenses and DNA photoprotection, and by restraining activator protein 1 (AP-1), nuclear factor κB (NF-κB), and matrix metalloproteinases (MMPs); and repair enhancement via extracellular matrix (ECM) rebuilding and barrier restoration. We appraise evidence from 2D cells to 3D skin, animal UV models, and human studies, highlight dose and formulation pitfalls, and propose combination regimens pairing UV filters with bioactives. Finally, we close with translational priorities in delivery, stability, standardization, photosafety, and endpoint-driven clinical trials for personalized systems-level prevention.

Effect of Dimethyl Sulfoxide on Lysozyme Structural Stability During Electrospray Ionization Revealed by Molecular Dynamics Simulations

DU Zhuoyuan, LUAN Moujun, HOU Zhuanghao, HUANG Guangming

2026, 42(2): 586-593. doi:10.1007/s40242-025-5154-1

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Dimethyl sulfoxide (DMSO), employed as a solvent in specific electrospray ionization (ESI) mass spectrometry experimental contexts for protein characterization, serves as a two-step structure modulator. The presence of DMSO at low concentrations can protect protein structure during the electrospray process, while DMSO at higher concentrations would disrupt protein structure. However, these DMSO concentration-mediated effects on protein structure remain unclear. Herein, we employed molecular dynamics (MD) simulations for probing the effect on protein structure at different DMSO concentrations. Our findings showed a transitional tend to decrease the charge states of lysozyme due to the evaporation behavior of DMSO clusters and provide direct evidence of concentration-mediated variations on secondary structure, hydrogen bonds, and salt bridges of lysozyme. These findings revealed protective effect of DMSO-protein interactions on the structure of lysozyme at low concentrations, but a destructive effect at high concentrations. Our study offers novel insights into the process that DMSO concentration-mediated conformational modulation of the protein.

Electron Tomography in Structural Determination of Mesostructured Materials: A Comprehensive Evaluation of Reconstruction Algorithms

ZHANG Xueliang, DENG Quanzheng, CUI Congcong, CHE Shunai, HAN Lu

2026, 42(2): 594-601. doi:10.1007/s40242-025-5113-x

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The development of synthetic techniques has enabled the fabrication of mesostructured materials with high complexity. However, their large unit cell parameter and inadequate repeating units pose substantial challenges in accurately determining their intricate three-dimensional (3D) architectures using conventional X-ray diffraction and electron crystallographic techniques. Electron tomography (ET), which reconstructs a 3D volume from a series of 2D projections at different tilt angles, is an ideal tool for structure solution of mesostructures. Nonetheless, there has been no detailed comparison of reconstruction algorithms specifically for mesostructures, and obtaining high-quality ET for solving complex 3D structures remains challenging. Herein, we evaluated typical ET reconstruction algorithms, including simultaneous iterative reconstruction technique (SIRT), algebraic reconstruction technique (ART), generalized Fourier iterative reconstruction (GENFIRE) and real-space iterative reconstruction (RESIRE), for the determination of mesostructures. By applying these methods to a highly complex structure with shifted double diamond (SDD) networks, we assessed the feasibility and accuracy of structure determination abilities. Our results demonstrated that common iterative algorithms are capable of determining the SDD structure, while more recent algorithms, such as GENFIRE and RESIRE reveal more details with fewer artifacts. Combined with advanced imaging and computation apparatus, ET shows great potential for the structure determination of future mesostructured structures.

S-Scheme Ti@Ce MOF Heterojunction for Enhanced Visible-light Photocatalytic Degradation

FENG Tianxu, SHAN Wei, ZHANG Yongzhou, HUANG Haibo, TANG Hua

2026, 42(2): 602-611. doi:10.1007/s40242-025-5119-4

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Solar photocatalytic degradation and adsorption using metal-organic frameworks (MOFs) offer safe and energy-efficient remediation for water contaminated with small organic pollutants, leveraging their semiconductor-like tunable band structures and inherent porosity. This study reports the de novo synthesis of a visible-light-responsive Ti@Ce MOF heterojunction composite for synergistic photocatalytic degradation and adsorption of recalcitrant organic contaminants. An in-situ growth strategy deposited NO₂-functionalized UiO-66(Ce) onto NH₂-modified MIL-125, forming an S-scheme heterojunction engineered for efficient visible-light-driven hydrogen peroxide (H₂O₂) generation. This in-situ photogenerated H₂O₂ acts as a potent oxidant, effectively degrading tetracycline. A significantly enhanced photocatalytic degradation rate constant (k) for tetracycline was observed, indicating boosted catalytic activity. Mechanistic analysis underscores the critical role of the S-scheme heterojunction in promoting charge carrier separation and enhancing H₂O₂ production, thereby efficiently driving organic pollutant oxidative degradation. This work provides a novel strategic framework for designing multifunctional MOF composites, advancing high-performance, sustainable water purification technologies.

Comparison of One-/Two-photon Absorption Properties of D-A-D Type Zinc Phthalocyanines Constructed with Different Rylene Diimides

ZHANG Ding, WANG Yaochuan, NI Haoran, SUN Xue, WANG Yizhuo, LIU Dajun, XU Xuesong, CHEN Yu

2026, 42(2): 612-621. doi:10.1007/s40242-025-5130-9

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As a bulky conjugated molecule, phthalocyanine is commonly combined with rylene diimides acceptors to form novel organic optical functional dyes with better planarity and conjugation, which has led to a wide range of applications in photovoltaic conversion, photodynamic therapy and photocatalysis. In this paper, we have compared the one-photon absorption (OPA) and two-photon absorption (TPA) properties of D-A-D structural zinc phthalocyanine donors constructed with different rylene diimides acceptors [naphthalene diimide (NDI), perylene diimide (PDI) and terrylene diimide (TDI)] based on time-dependent density functional theory (TD-DFT) and sum-over-states (SOS) method. With the addition of NDI, PDI and TDI groups as the acceptors, new absorption peaks can appear in the OPA spectra and the absorption spectral range can be expanded. Meanwhile, the increase of naphthalene ring contributes to the expansion of TPA cross-section and the appearance of stronger charge transfer characteristics in the TPA spectra, which will be confirmed in the transition density matrix (TDM) and charge density difference (CDD) diagrams.

Experimental Study and Mechanism Analysis on the Separation of 2-Methylfuran/Methanol from Biofuel Assisted by Ethylene Glycol

WANG Yue, LI Wenxiu, WANG Pengfei, ZHANG Tao

2026, 42(2): 622-628. doi:10.1007/s40242-025-5131-8

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The formation of azeotropic mixtures between 2-methylfuran (2-MF) and methanol (MeOH) during catalytic hydrogenation of furfural poses a significant challenge for their separation. To address this issue, ethylene glycol (EG) was systematically evaluated as a sustainable extractant for liquid-liquid extraction of the 2-MF-MeOH azeotrope. The σ-profiles of five candidate solvents, tetrahydrofuran (THF), dimethylformamide (DMF), dimethyl sulfoxide (DMSO), dimethylacetamide (DMAC), and EG were analyzed. EG was identified as the optimal extractant due to its superior hydrogen-bonding capability. Key operational parameters including equilibrium temperature and azeotropic composition were experimentally optimized. Then, ternary liquid-liquid phase equilibrium (LLE) data of 2-MF(1)+MeOH(2)+EG(3) were measured. The non-random two-liquid (NRTL) model demonstrated excellent correlation with LLE data (RMSD<2%), validating its reliability for process simulation. Multi-scale analysis methods for separation mechanism, such as electrostatic potential (ESP) mapping, independent gradient model based on Hirshfeld partition (IGMH), and molecular dynamics simulation were used to confirm the sites and types of interaction. This fundamental understanding of molecular interactions provides critical insights for designing sustainable separation processes in biomass-derived chemical production.

Organophosphate Esters in Urban Surface Soils: Source Tracking and Main Drivers for the Spatial Variation

WANG Wei, SUN Zhuoni, JIANG Lu, YU Yihan, LI Zhigang, WANG Yawei

2026, 42(2): 629-636. doi:10.1007/s40242-025-5132-7

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Organophosphate esters (OPEs) contamination in urban soils has become a critical environmental concern, particularly in industrialized regions. In this work, 17 OPEs were simultaneously analyzed in 160 soil samples collected from Tianjin, China. All OPEs were detected in Tianjin soil OPEs, with total concentrations ranging from 0.08 ng/g to 144.78 ng/g (mean: 12.88 ng/g). Among these, tris(2-chloroisopropyl) phosphate (TCIPP) was the predominant compound observed. The contamination levels in residential areas and industrial parks were significantly higher than those in other types, indicating that human activities and industrial production are major contributors to these elevated concentrations. Spearman correlation analysis of the nine commonly detected OPEs monomers suggested shared emission sources and environmental behaviors. Furthermore, positive matrix factorization (PMF) analyses identified automobile emissions, production of polyvinyl chloride (PVC), and production of polyurethane foams as major contributors to OPEs emissions. Structural equation model (SEM) quantifies the direct and indirect impacts of socioeconomic factors on OPEs. Assessment of human exposure risk and ecological risk at ambient OPEs levels in Tianjin soils revealed negligible risks via soil ingestion. Overall, this study elucidates the distribution pattern of OPEs in Tianjin, offering a valuable reference point for evaluating environmental safety and implementing effective pollution control strategies in urbanized areas.

Step-scheme 0D/2D Heterojunctions Based on Ag₂S Nanoparticles/Graphite-C₃N₄ Nanosheets with Enhanced Visible-light Photocatalytic CO₂ Reduction Performance

WANG Jian, LI Xin, QU Xin, FENG Bo, LI Xuefei, LIU Yanqing, WEI Maobin

2026, 42(2): 637-647. doi:10.1007/s40242-025-5164-z

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Heterostructured photocatalysts are promising candidate materials in the field of photocatalysis. Heterojunctions play an important role in the separation of carriers in space. In this study, a 0D/2D step (S)-scheme heterojunctions were prepared by in-situ growth of Ag₂S nanoparticles (NPs) onto porous graphite (g)-C₃N₄ nanosheets. Ag₂S NPs effectively shortened the diffusion path of carriers, thus promoting interfacial charge migration and further improving surface photocatalytic activity. X-Ray photoelectron spectroscopy and photoelectrochemical tests indicated an internal electric field formed at the g-C₃N₄/Ag₂S interface, which enabled efficient separation and enhanced the photocatalytic CO₂ reduction activity while preserving the maximum redox capacity of photogenerated carriers. Under the irradiation of visible light, the CO yield of Ag₂S/g-C₃N₄ composites was about 17.24 μmol·g^-1·h^-1 and their CH₄ yield was about 2.36 μmol·g^-1·h^-1, both of which were better than those of Ag₂S and g-C₃N₄. This work provides new insights into novel structures of S-scheme heterojunctions for photocatalytic CO₂ reduction.

Copper Ion-induced Protein Precipitation for Drug Target Discovery by Proteomics

GAO Yujun, ZHANG Yihan, YE Mingliang, HU Lianghai

2026, 42(2): 648-658. doi:10.1007/s40242-025-5215-5

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In the field of drug research and development, traditional small-molecule modification or immobilization strategies applied to drug target screening have limitations, such as easily altering the pharmacodynamic properties of compounds and difficulty in capturing weak interactions between drugs and targets. To address this issue, this study established a novel drug target screening method based on copper ion-induced protein precipitation. This method requires no labeling of drugs, maximally retains the original properties of compounds, and captures drug-target interactions with high sensitivity. The study first used methotrexate (MTX) and its target protein dihydrofolate reductase (DHFR) as a model, and verified through Western blot that copper ions can induce the precipitation of DHFR. Furthermore, the specific binding of MTX to DHFR changes the conformational stability of DHFR and reduces its precipitation amount under the action of copper ions, which confirms the feasibility of this method. Subsequently, the method was extended to the research of other drugs: for SNS-032, a selective cyclin-dependent kinase (CDK) inhibitor, the study not only verified its interaction with HSP90 but also screened out potential off-target proteins, such as NME2 through dimethyl labeling mass spectrometry. This method provides reliable technical support for the efficient screening and verification of drug targets, and is of great significance for promoting drug research and development as well as disease treatment research.

Highly Stretchable and Ex-situ Self-healing Organohydrogel for Flexible Electric Sensors

WANG Guangyan, WANG Hongji, QIAN Shumin, YAO Xinyi, BAI Jianliang, XU Cuixing, LEI Wenwei

2026, 42(2): 659-668. doi:10.1007/s40242-026-5244-8

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Hydrogels have emerged as a promising class of soft materials, particularly valued for their biocompatibility and high-water content. However, conventional hydrogels are fundamentally limited by their poor mechanical stretchability and lack of self-healing capabilities, severely restricting their practical applications. Herein, we report a simple yet effective strategy to significantly enhance both the stretchability and self-healing capability of PVA-based (PVA: polyvinyl alcohol) organohydrogels by introducing glucose as a dynamic multi-hydroxyl crosslinker. The abundant hydroxyl groups on glucose molecules form additional dynamic hydrogen bonds with the PVA matrix, resulting in a denser and more dynamic physically cross-linked network. The resulting glucose-PVA organohydrogel exhibits remarkable performance: ultrahigh stretchability (16300 strain, representing a 12-fold improvement over glucose-free systems), dynamic bond-mediated ex-situ self-healing, and injectability. Remarkably, the synergistic effect between glucose-mediated plasticization and the poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) conductive network enables simultaneous acquisition of both resistive strain signals and electrophysiological signals, demonstrating significant potential for applications in disease diagnosis and motion analysis. This work not only provides a high-performance soft material for potential applications in flexible electronics and biomedical devices but also offers a novel strategy for designing advanced multifunctional gels.

Resonant Enhancement of Ion Transport in Graphene Channels by Alternating Electric Fields

ZHAO Jiahui, SONG Bo, JIANG Lei

2026, 42(2): 669-676. doi:10.1007/s40242-026-5256-4

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The rapid progress of artificial intelligence has exposed the inherent limitations of conventional chip technology, particularly high energy consumption, driving the emergence of neuromorphic chips and ionics. Using ab initio molecular dynamics simulations, we investigated K⁺ ion-filled graphene channels at representative density (4.36×10¹⁴ cm^-2) under alternating electric field modulation along the z-direction. Through systematic frequency scanning, we discovered that a 2.1 THz field achieves remarkable transport enhancement with ca. 70% efficiency increase at 300 K and ca. 52% ion-ion correlation enhancement, exhibiting strong frequency selectivity. Temperature-dependent analysis (250—350 K) reveals that the resonant enhancement is robust against thermal fluctuations, with the resonant frequency remaining at 2.1 THz across this temperature range, demonstrating practical applicability. Phonon density of states analysis reveals that 2.1 THz corresponds to the intrinsic collective oscillation mode of confined K⁺ ions rather than graphene lattice vibrations, establishing the microscopic origin of resonance. Detailed dynamics analysis shows that resonant excitation induces velocity homogenization and temporal synchronization, constituting the enhancement mechanism. These atomic-level insights establish a framework for active modulation through frequency-selective excitation, providing insights for designing high-efficiency, tunable ion transistors toward ultralow energy-consumption neuromorphic chips.

A Selective Fluorescence Sensor for Pretreatment-free Detection of Practical Formaldehyde Reagents

GUO Shigang, HUANG Haiqiao, HAN Fuping, WANG Shaojun, LI Xin, SUN Wen, FAN Jiangli, DU Jianjun, ZHANG Xiwen, PENG Xiaojun

2026, 42(2): 677-682. doi:10.1007/s40242-026-5275-1

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Formaldehyde (FA) is an important chemical due to its reactivity and versatility. The concentration of formaldehyde reagents is the key index of production and trade. The development of optical sensors for the detection of formaldehyde reagents has hardly been reported. This paper presents the design and principle of a novel optical sensor, naphthalimide (Nap)-FA, for formaldehyde (about 13 mol/L) detection without pretreatment. Nap-FA reveals low fluorescence in aqueous environment and wide pH range. Upon the addition of FA, the fluorescence intensity of Nap-FA increased rapidly, with a response time of less than 10 min. Nap-FA demonstrates a linear fluorescence response to FA in the wide range of 0.01—13.76 mol/L with high selectivity in the presence of common impurities and formaldehyde polymerization inhibitor. Compared to standard methods, Nap-FA can be used as a fast and reliable tool for detecting formaldehyde reagents.

An Exploration of Fractional Element

QIN Jiajun, SONG Jiatian, PENG Huisheng

2026, 42(2): 683-686. doi:10.1007/s40242-026-6012-5

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