Dyes and Pigments最新文献

英文中文

Side-chain tailoring strategy: Enhancing asymmetry of small-molecule donor for high-efficiency and stable organic solar cells 侧链裁剪策略：提高小分子供体的不对称性，实现高效稳定的有机太阳能电池

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-19 DOI: 10.1016/j.dyepig.2025.113508

Junchi Su , Mingxuan Yang , Wenyang Luo , Liangliang Chen , Zhuang Li , Deyu Liu , Xunchang Wang , Renqiang Yang

Side-chain engineering has been demonstrated as a simple and effective strategy for modulating molecular morphology and enhancing photovoltaic performance. Here, we synthesized a new small-molecule donor material BTR-YF by tailoring one of the side chains of BTR-Cl and migrating to the opposite side. Compared to BTR-Cl, the BTR-YF counterpart displays a slightly blue-shifted absorption spectrum, a down-shifted highest occupied molecular orbital energy level, and suppressed molecular aggregation, which collectively contribute to an optimized thin-film morphology. Consequently, all-small-molecule organic solar cells based on BTR-YF:L8-BO achieve a remarkable power conversion efficiency of 15.1 %, significantly higher than that of the BTR-Cl-based devices (13.6 %). The improved performance is attributed to enhanced exciton dissociation, more balanced charge transport, and reduced bimolecular recombination. Moreover, the BTR-YF-based devices demonstrate superior long-term stability and thermal stability, benefiting from the favorable nanoscale phase separation and suppressed excessive aggregation enabled by the asymmetric side-chain configuration and migration. This study demonstrates that complete migration of the side chain to the molecular opposite side is an effective approach for improving the performance of all-small-molecule organic solar cells, laying an important foundation for their further commercialization.

侧链工程已被证明是一种简单有效的调节分子形态和提高光伏性能的策略。在这里，我们通过剪裁BTR-Cl的一个侧链并迁移到相反的一侧，合成了一种新的小分子给体材料BTR-YF。与BTR-Cl相比，BTR-YF具有轻微的蓝移吸收光谱，低移最高已占分子轨道能级，抑制分子聚集，这些都有助于优化薄膜形态。因此，基于BTR-YF:L8-BO的全小分子有机太阳能电池的功率转换效率为15.1%，显著高于基于btr - cl的器件（13.6%）。改进的性能归因于增强的激子解离，更平衡的电荷传输和减少的双分子重组。此外，基于btr - yf的器件表现出优异的长期稳定性和热稳定性，这得益于有利的纳米级相分离和抑制不对称侧链结构和迁移所导致的过度聚集。本研究表明，侧链完全迁移到分子对面是提高全小分子有机太阳能电池性能的有效途径，为其进一步商业化奠定了重要基础。

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引用次数: 0

Molecular-weight dependence of the dispersing efficiency for comb-shaped acrylic polymers in aqueous organic pigment systems 梳状丙烯酸聚合物在水性有机颜料体系中分散效率的分子量依赖性

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-19 DOI: 10.1016/j.dyepig.2025.113514

Tingwu Liu , Manzhuan Lou , Zhenlong Hu , Jianwei Han , Limin Wang

The molecular weight of polymeric dispersants is a critical parameter affecting their performance in pigment dispersion systems. In this study, a series of p(BzMA-co-mPEGMA) copolymers with different molecular weights were synthesized via free radical solution polymerization while maintaining a constant monomer ratio. The influence of molecular weight on their performance as pigment dispersants was systematically investigated. FTIR and DSC analyses revealed that increasing molecular weight enhanced intermolecular interactions but reduced chain mobility and crystallinity. Self-assembly studies in aqueous solution showed that higher molecular weight led to decreased critical micelle concentration and increased micellization energy. Adsorption measurements demonstrated enhanced maximum adsorption capacity and more favorable adsorption free energy on pigment surfaces with increasing molecular weight. Although molecular weight showed minimal influence on overall dispersion performance, with all samples achieving excellent stability, the copolymer with moderate molecular weight exhibited optimal results in particle size distribution, dispersion stability, and tinting strength. This systematic investigation of molecular weight effects offers guidelines for molecular design of polymeric dispersants in aqueous pigment systems.

高分子分散剂的分子量是影响其在颜料分散体系中性能的关键参数。本研究在保持一定单体比的情况下，通过自由基溶液聚合合成了一系列不同分子量的p（BzMA-co-mPEGMA）共聚物。系统地研究了分子量对其作为颜料分散剂性能的影响。FTIR和DSC分析表明，分子量的增加增强了分子间的相互作用，但降低了链迁移率和结晶度。水溶液自组装研究表明，分子量越大，临界胶束浓度降低，胶束能增加。吸附测量表明，随着分子量的增加，色素表面的最大吸附容量和更有利的吸附自由能增强。虽然分子量对整体分散性能的影响很小，但所有样品都具有优异的稳定性，中等分子量的共聚物在粒径分布、分散稳定性和着色强度方面表现出最佳效果。这种对分子量效应的系统研究为水性颜料体系中聚合物分散剂的分子设计提供了指导。

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引用次数: 0

A novel pyrimido[1,6-b]indazole heterocycle as a building block for the design of low-molecular-weight fluorescent probes with large Stokes shifts 一种新型嘧啶[1,6-b]吲哚唑杂环作为设计具有大斯托克斯位移的低分子量荧光探针的基础

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-19 DOI: 10.1016/j.dyepig.2025.113484

Raul Marques Novais , Pedro I.P. Leite , Sem Bleus , Thanh Chung Pham , Ricardo Vessecchi , Daniel Escudero , Wim Dehaen , Flavio da Silva Emery

A novel class of pyrimido[1,6-b]indazole fluorophores was synthesized via a concise condensation featuring a 6-endo-dig cyclization. The ring system displays large Stokes shifts (99–115 nm) and positive solvatochromism, suggesting an intramolecular charge transfer. Suzuki–Miyaura cross-coupling enables π-extension to derivatives with improved quantum yields and Stokes shifts exceeding 130 nm. TD-DFT calculations corroborate these trends, highlighting their potential for advanced fluorescence-based technologies.

以6-内位环化为特征，通过缩合反应合成了一类新型的嘧啶[1,6-b]吲哚唑荧光基团。环状体系表现出较大的斯托克斯位移（99 ~ 115 nm）和正溶剂变色，表明存在分子内电荷转移。Suzuki-Miyaura交叉耦合使π扩展到衍生物，提高了量子产率和Stokes位移超过130 nm。TD-DFT计算证实了这些趋势，突出了它们在先进荧光技术方面的潜力。

引用次数: 0

Colorimetric and fluorescent pH-probe based on the reversible fragmentation of tetrahydrodipyrrolodipyrazinotetrazine derivatives 基于四氢二吡咯二吡嗪四嗪衍生物可逆断裂的比色和荧光ph探针

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-19 DOI: 10.1016/j.dyepig.2025.113510

Elena A. Gyrgenova, Konstantin B. Petrushenko, Victoria S. Shcherbakova, Andrey V. Ivanov

The present paper reports a novel colorimetric and fluorescent pH probe, which is based on reversible fragmentation of tetrahydrodipyrrolodipyrazinotetrazine derivatives. It has been established that at a neutral pH level, solutions of tetrahydrodipyrrolodipyrazinotetrazines 1a-d are colorless and non-fluorescent (fluorescence off). When acidified, tetrazines 1a-d are transformed into yellow-orange N-aminopyrrolopyrazinium salts 2a-d, which fluoresce in the blue-green region (fluorescence on, Φ_fl ≈ 0.4). The sensor responds reversibly to pH changes between 4.2 and 7.5 in MeCN, and it can be easily synthesized from simple, readily available N-allenylpyrrole-2-carbaldehydes and hydrazine hydrate.

本文报道了一种基于四氢二吡咯二吡嗪四嗪衍生物可逆断裂的新型比色荧光pH探针。已经确定，在中性pH水平下，四氢二吡咯二吡嗪四嗪1a-d的溶液无色且无荧光（荧光关闭）。酸化后，四嗪类化合物1a-d转化为黄橙色的n -氨基吡啶吡嗪盐2a-d，在蓝绿色区域发出荧光（荧光on， Φfl≈0.4）。该传感器对MeCN中pH值在4.2和7.5之间的变化有可逆的响应，并且可以很容易地由简单，容易获得的n -烯基吡咯-2-乙醛和水合肼合成。

引用次数: 0

Cyanine-based probes for dual near-infrared fluorescence and nuclear imaging of arthritis 基于花青素的双近红外荧光和关节炎核成像探针

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-17 DOI: 10.1016/j.dyepig.2025.113509

Cheng-Liang Peng, Ying-Hsia Shih, Chun-Tang Chen

Arthritis is the most prevalent joint disorder worldwide and a major cause of morbidity. This study evaluated the feasibility of using ⁶⁸Ga-DOTA-NIR790, a novel dual-modality imaging probe, for non-invasive detection and monitoring of inflammation in an FCA-induced arthritis mouse model with PET/CT and near-infrared fluorescence (NIRF) imaging. We synthesized ⁶⁸Ga-DOTA-NIR790, a cyanine-based probe, to enable both PET and NIRF imaging. Radiochemical purity and biodistribution were assessed using radio-HPLC and histological analysis. PET/CT revealed pronounced tracer uptake in inflamed joints, consistent with NIRF imaging and biodistribution findings. The probe demonstrated specific accumulation in arthritic regions, clearly visualized by both imaging modalities. Quantitative PET analysis showed significantly higher uptake in FCA-treated mice than in controls, with reduced uptake following dexamethasone treatment, confirming sensitivity to therapeutic response. NIRF imaging offered complementary, high-contrast visualization of inflammation, while ex vivo biodistribution confirmed tracer localization in affected tissues. Overall, ⁶⁸Ga-DOTA-NIR790 emerges as a promising dual-modality imaging agent for accurate visualization and quantification of joint inflammation. This approach may enhance arthritis diagnosis and therapeutic monitoring, with strong potential for preclinical research and future clinical translation in inflammatory disease management.

关节炎是世界上最普遍的关节疾病，也是发病率的主要原因。本研究利用新型双模成像探针68Ga-DOTA-NIR790，通过PET/CT和近红外荧光（NIRF）成像，对fca诱导的关节炎小鼠模型进行无创检测和监测炎症的可行性进行了评估。我们合成了68Ga-DOTA-NIR790，一种基于花青素的探针，可以同时进行PET和NIRF成像。使用放射高效液相色谱法和组织学分析评估放射化学纯度和生物分布。PET/CT显示炎症关节明显的示踪剂摄取，与NIRF成像和生物分布结果一致。探针显示关节炎区域的特异性积累，两种成像方式都清晰可见。定量PET分析显示，fca治疗小鼠的摄取明显高于对照组，地塞米松治疗后摄取减少，证实了对治疗反应的敏感性。NIRF成像提供了互补的、高对比度的炎症可视化，而离体生物分布证实了示踪剂在受影响组织中的定位。总的来说，68Ga-DOTA-NIR790是一种很有前途的双模成像剂，可以准确地可视化和量化关节炎症。该方法可以增强关节炎的诊断和治疗监测，具有很强的临床前研究和未来炎症疾病管理的临床转化潜力。

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引用次数: 0

A novel ratiometric NIR fluorescent probe for pH monitoring in live cells and zebrafish 一种用于活细胞和斑马鱼pH监测的新型比例近红外荧光探针

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-16 DOI: 10.1016/j.dyepig.2025.113506

Xue Yu , Hui Wang , Dan Wang , Yunong Huang , Ding Zhou , Li Fan , Yuewei Zhang

Monitoring pH variations within living organisms is critically important. In this study, we report a novel dual-excitation ratiometric near-infrared (NIR) fluorescent probe (BNClBi–N), which employs hemicyanine dye as the fluorophore. BNClBi–N exhibits a response to pH changes through the protonation and deprotonation of nitrogen atoms on the benzoindole moiety, as confirmed by NMR studies. This protonation modulates the intramolecular charge transfer (ICT) process, causing a significant ratiometric fluorescence emission shift (I₇₀₀ _nm/I₆₁₀ _nm) with a pKa value of 3.46. Additionally, the fluorescent color transitioned from green to yellow within the pH range of 6.0 to 2.0. Additionally, the probe demonstrated good stability and anti-interference capability. Building on these outstanding characteristics, BNClBi–N enabled reliable monitoring exogenous pH in live cells and zebrafish with excellent lysosomal targeting ability.

监测生物体内的pH值变化是至关重要的。在这项研究中，我们报道了一种新的双激发比例近红外（NIR）荧光探针（BNClBi-N），它采用半花青碱染料作为荧光团。通过核磁共振研究证实，BNClBi-N通过苯并吲哚部分上氮原子的质子化和去质子化表现出对pH变化的响应。这种质子化调节了分子内电荷转移（ICT）过程，导致显著的比例荧光发射位移（I700 nm/I610 nm）， pKa值为3.46。在pH值6.0 ~ 2.0范围内，荧光颜色由绿色向黄色过渡。此外，该探针具有良好的稳定性和抗干扰能力。基于这些突出的特性，BNClBi-N能够可靠地监测活细胞和斑马鱼的外源pH值，具有出色的溶酶体靶向能力。

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引用次数: 0

Photosensitizer with near-infrared emission employing lysosome as therapeutic target for cancer cell ablation 利用溶酶体作为肿瘤细胞消融治疗靶点的近红外光敏剂

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-16 DOI: 10.1016/j.dyepig.2025.113505

Bo Lin , Chunxia Liu , Kunyi Zhao , Wenjing Lu , Huan Liu , Chuan Dong , Li Fan

Ferroptosis based on lysosomal lipid peroxidation paves the way for utilizing this pathway as a therapeutic target in photodynamic therapy (PDT). Herein, we constructed an iodine-substituted sulfur-containing lipophilic cationic photosensitizer 2-(2-(5-(4-(di-p-tolylamino)phenyl)thiophen-2-yl)vinyl)-3-ethyl-6-iodobenzo [d]thiazol-3-ium iodide (TTIT) with lysosome-targeting for photoablation of cancer cells. The near infrared (NIR) fluorescence and reactive oxygen species (ROS) generation capacity of TTIT can be specifically activated by low-polarity or high-viscosity environments. Interestingly, the controllable photobleaching behavior of TTIT can prevent excessive phototherapy caused by superfluous light dose. This work confirms that lipid peroxidation-induced lysosomal disruption is a viable strategy for tumor therapy and provides a new photosensitizer that merges high ROS production with self-regulated safety.

基于溶酶体脂质过氧化的铁下垂为利用这一途径作为光动力治疗（PDT）的治疗靶点铺平了道路。在此，我们构建了一种具有溶酶体靶向的碘取代的含硫亲脂性阳离子光敏剂2-（2-（5-（4-（二对苯胺）苯基）噻吩-2-基）乙烯基）-3-乙基-6-碘苯并[d]噻唑-3-碘化铵（TTIT），用于癌细胞的光消融。TTIT的近红外（NIR）荧光和活性氧（ROS）生成能力可在低极性或高粘度环境下特异性激活。有趣的是，TTIT的可控光漂白行为可以防止过量光剂量引起的过度光疗。这项工作证实了脂质过氧化诱导的溶酶体破坏是一种可行的肿瘤治疗策略，并提供了一种新的光敏剂，将高ROS产生与自我调节的安全性结合在一起。

引用次数: 0

Synergistic end-group chlorination and isomeric thiophene π-bridge strategies achieve near-perfect planarity in non-fused-ring acceptors for efficient organic solar cells 协同端基氯化和同分异构体噻吩π桥策略在高效有机太阳能电池的非融合环受体中实现了近乎完美的平面性

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-16 DOI: 10.1016/j.dyepig.2025.113502

Zhongxin Zhou , Jun Yang , Shujing Jin , Yongtao zhao , Changheng Guan , Hongjun Wang , Weiguo Zhu , Yu Liu

The ternary strategy, which introduces a third component into the binary system, is a simple and effective method for boosting power conversion efficiency (PCE) of organic solar cells (OSCs). Herein, a novel non-fused-ring small molecule acceptor (NFR-SMA), namely DFTQA-2Cl, featuring a medium bandgap and high planarity, was designed and synthesized through a synergistic strategy combining terminal chlorination and an isomeric thiophene π-bridge. The introduction of DFTQA-2Cl into the D18:Y6 binary system creates a ternary blend with complementary absorptions and cascaded energy alignment, which accelerates exciton dissociation, enhances charge collection, and boosts current density for in high-performance OSCs. Simultaneously, doping modulation via DFTQA-2Cl optimizes the micromorphology and phase separation size of active layer. Based on this, the optimized ternary OSC based on D18:Y6:DFTQA-2Cl achieved a notable PCE of 18.04 %, a 6.68 % enhancement over the 16.91 % of its binary D18:Y6 system, along with simultaneous enhancements in other parameters. Additionally, the ternary OSCs achieved a T80 operational stability of over 1500 h. This work illustrates that incorporating a medium-bandgap NFR-SMA with good planarity as a third component in a binary system effectively enhance the basic parameters of ternary OSCs.

在二元体系中引入第三组分的三元策略是提高有机太阳能电池功率转换效率的一种简单有效的方法。本文采用末端氯化和同分异构体噻吩π桥相结合的协同策略，设计合成了一种中等带隙、高平面度的新型非融合环小分子受体（NFR-SMA） dftka - 2cl。将DFTQA-2Cl引入到D18:Y6二元体系中，形成了具有互补吸收和级联能量排列的三组分混合物，加速了激子解离，增强了电荷收集，并提高了高性能OSCs的电流密度。同时，DFTQA-2Cl掺杂调制优化了活性层的微观形貌和相分离尺寸。在此基础上，优化后的D18:Y6:DFTQA-2Cl三元OSC的PCE为18.04%，比二元D18:Y6体系的16.91%提高了6.68%，其他参数也得到了同步提高。此外，三元osc实现了超过1500小时的T80工作稳定性。本研究表明，在二元体系中加入具有良好平面性的中带隙NFR-SMA作为第三组分，可以有效地提高三元osc的基本参数。

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引用次数: 0

In silico design of anthraquinone-based two-photon photosensitisers for NIR-activated photodynamic therapy in hypoxic tumors 基于蒽醌的双光子光敏剂的硅片设计，用于nir激活光动力治疗缺氧肿瘤

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-16 DOI: 10.1016/j.dyepig.2025.113507

Maciej Spiegel

A computational methodology is presented for the rational design of anthraquinone-based, heavy-atom–free photosensitisers optimised for two-photon photodynamic therapy in hypoxic tumours within the NIR region. Twelve derivatives were evaluated for two-photon absorption, excited states dynamics, redox reactivity, and ADME properties. Four lead compounds—Oxz, Tdz, Prd, and Pmd—exhibited Herzberg–Teller-enabled intersystem crossing and sufficient triplet-state lifetimes to permit diffusion-limited interactions. The Redox Activity and Chemical Trends Map, validated against Marcus theory, distinguished distinct mechanistic profiles amongst the derivatives, with lead candidates exhibiting selective biomolecular oxidation (Type III). Notably, Pmd retained a reasonable phosphorescence rate despite concurrent processes, indicating likelihood of the sustained Type II reactivity under quenching. SwissADME analysis confirmed favourable permeability and synthetic accessibility. This integrative computational framework—though developed for anthraquinones—is generalisable to diverse scaffolds, facilitating early-stage prioritisation of oxygen-independent, multimodal two–photon PDT candidates for hypoxic cancer treatment.

提出了一种计算方法，用于合理设计基于蒽醌的无重原子光敏剂，该光敏剂优化用于近红外区域内缺氧肿瘤的双光子光动力治疗。对12种衍生物的双光子吸收、激发态动力学、氧化还原反应性和ADME性能进行了评价。四种先导化合物oxz， Tdz， Prd和pmd表现出赫茨伯格-泰勒系统间交叉和足够的三重态寿命，以允许扩散限制相互作用。氧化还原活性和化学趋势图（Redox Activity and Chemical Trends Map）根据Marcus理论进行了验证，在衍生物中区分出不同的机制特征，主要候选衍生物表现出选择性生物分子氧化（III型）。值得注意的是，Pmd保持了合理的磷光率，尽管有并发的过程，这表明在淬火下可能持续II型反应性。SwissADME分析证实了良好的渗透率和合成可达性。这种综合计算框架虽然是为蒽醌类开发的，但可推广到不同的支架，促进缺氧癌症治疗中不依赖氧的多模态双光子PDT候选物的早期优先排序。

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引用次数: 0

Rubus-/Cactus-bioinspired HTC@BiOI/ZnO hierarchical composites for enhanced solar water evaporation, photocatalysis and desalination Rubus-/Cactus-bioinspired HTC@BiOI/ZnO分层复合材料，用于增强太阳能水蒸发，光催化和海水淡化

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments

Pub Date : 2025-12-13 DOI: 10.1016/j.dyepig.2025.113501

Yuping Wu , Xiangbo Yang , Wei Sun , Qianting Wang , Rong Zhang , Fengjuan Yang , Zongli Xie

Addressing the dual challenges of water scarcity and energy demands, solar-driven evaporation systems necessitate breakthroughs in photothermal conversion. However, current technologies encounter inherent limitations to balance efficient light absorption and water transport. Here, we introduces a biomimetic rubus-like architecture comprising hydrothermal carbon (HTC) and a cactus-like BiOI/ZnO composite. The HTC provides broadband solar absorption, while the cactus-like BiOI/ZnO enables efficient light trapping via multi-reflection and established the p-n heterojunction for accelerated charge separation. In addition, the engineered micro-nano rough surface with abundant hydroxyl groups and hydrogen-bonding networks promotes rapid water uptake, transport and evaporation. Benefiting from these synergistic features, the system achieves an outstanding evaporation rate of 6.24 kg·m⁻²·h⁻¹ and photocatalytic degradation (C/C₀) of 30.1 % and rate constants (k) of 0.0185 min⁻¹ under 2.0 sun irradiation. This multifunction design maximizes solar harvesting while preserves catalytically active surface sites, making a significant step towards sustainable solar evaporator technology for integrated water treatment solutions.

为了解决水资源短缺和能源需求的双重挑战，太阳能驱动的蒸发系统需要在光热转换方面取得突破。然而，目前的技术在平衡有效的光吸收和水传输方面遇到了固有的限制。在这里，我们介绍了一种由水热碳（HTC）和仙人掌状BiOI/ZnO复合材料组成的仿生类rubusas结构。HTC提供宽带太阳能吸收，而仙人掌状的BiOI/ZnO通过多次反射实现高效的光捕获，并建立了加速电荷分离的p-n异质结。此外，具有丰富羟基和氢键网络的微纳粗糙表面促进了水分的快速吸收、运输和蒸发。得益于这些协同特性，该体系在2.0太阳照射下的蒸发速率为6.24 kg·m−2·h−1，光催化降解（C/C0）为30.1%，速率常数(k)为0.0185 min−1。这种多功能设计最大限度地利用了太阳能，同时保留了催化活性的表面位点，为综合水处理解决方案的可持续太阳能蒸发器技术迈出了重要的一步。

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引用次数: 0

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