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Corrigendum to "New insights into the O2-sensing mechanism of FixL and other gas sensing heme proteins" [Journal of Inorganic Biochemistry 259 (2024) 112642]. 对 "FixL 和其他气体传感血红素蛋白的氧气传感机制的新认识"[《无机生物化学杂志》259 (2024) 112642]的更正。
IF 3.8 2区 化学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2025-02-01 Epub Date: 2024-09-28 DOI: 10.1016/j.jinorgbio.2024.112746
Mark F Reynolds
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引用次数: 0
A comprehensive multi-objective framework for the estimation of crash frequency models.
IF 5.7 1区 工程技术 Q1 ERGONOMICS Pub Date : 2025-02-01 Epub Date: 2024-12-02 DOI: 10.1016/j.aap.2024.107844
Zeke Ahern, Paul Corry, Mohammadali Shirazi, Alexander Paz

A common and challenging data and modeling aspect in crash analysis is unobserved heterogeneity, which is often handled using random parameters and special distributions such as Lindley. Random parameters can be estimated with respect to each observation for the entire dataset, and grouped across segments of the dataset, with variable means, or variable variances. The selection of the best approach to handle unobserved heterogeneity depends on the data characteristics and requires the corresponding hypothesis testing. In addition to dealing with unobserved heterogeneity, crash frequency modeling often requires explicit consideration of functional forms, transformations, and identification of likely contributing factors. During model estimation, it is important to consider multiple objectives such as in- and out-of-sample goodness-of-fit to generate reliable and transferable insights. Taking all of these aspects and objectives into account simultaneously represents a very large number of modeling decisions and hypothesis testing. Limited testing and model development may lead to bias and missing relevant specifications with important insights. To address these challenges, this paper proposes a comprehensive optimization framework, underpinned by a mathematical programming formulation, for systematic hypothesis testing considering simultaneously multiple objectives, unobserved heterogeneity, grouped random parameters, functional forms, transformations, heterogeneity in means, and the identification of likely contributing factors. The proposed framework employs a variety of metaheuristic solution algorithms to address the complexity and non-convexity of the estimation and optimization problem. Several metaheuristics were tested including Simulated Annealing, Differential Evolution and Harmony Search. Harmony Search provided convergence with low sensitivity to the choice of hyperparameters. The effectiveness of the framework was evaluated using three real-world data sets, generating sound and consistent results compared to the corresponding published models. These results demonstrate the ability of the proposed framework to efficiently estimate sound and parsimonious crash data count models while reducing costs associated with time and required knowledge, bias, and sub-optimal solutions due to limited testing. To support experimental testing for analysts and modelers, the Python package "MetaCountRegressor," which includes algorithms and software, is available on PyPi.

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引用次数: 0
Th1 adjuvant ARNAX, in combination with radiation therapy, enhances tumor regression in mouse tumor-implant models. Th1辅助剂ARNAX与放射治疗相结合,可增强小鼠肿瘤植入模型中肿瘤的消退。
IF 3.3 4区 医学 Q3 IMMUNOLOGY Pub Date : 2025-02-01 Epub Date: 2024-11-26 DOI: 10.1016/j.imlet.2024.106947
Aya Miyazaki, Sumito Yoshida, Yohei Takeda, Utano Tomaru, Misako Matsumoto, Tsukasa Seya

Radiation therapy (RT) rarely induces tumor regression at untreated metastatic sites, the so-called abscopal effect. A syngeneic tumor (EG7) transplanted into a Th1-dominant mouse strain (C57BL/6) regressed significantly on the treated side and less on the contralateral side after RT. Additional subcutaneous administration of ARNAX, a non-inflammatory adjuvant, further accelerated tumor regression on the untreated side. This suggests that ARNAX after RT significantly enhances the tumor regression effect on the irrelevant tumor. Based on this setting, we next observed similar tumor shrinkage after RT and ARNAX by transplanting syngeneic breast cancer tumors (4T1) into a Th2-dominant mouse strain (BALB/c). The results were as follows: 1. ARNAX enhanced RT-mediated tumor shrinkage comparable to polyI:C; 2. In the Th2 mouse strain, little tumor regression occurred on the untreated side compared to tumor regression on the treated side after RT alone; 3. RT+ARNAX treatment caused additive regression on the treated side and induced slight tumor regression on the untreated side; 4. PD-L1 antibody + RT combination therapy caused tumor regression and further induced additive regression with ARNAX; 5. The combination of RT and ARNAX reduced the number and volume of lung metastases compared to RT alone. However, tumor regression was not always accompanied by a significant prolongation of survival in the mice receiving our regimen and protocol (one 10Gy radiation and a single ARNAX treatment). In conclusion, RT therapy promoted abscopal tumor regression in both Th2 and Th1 models with the addition of the non-inflammatory adjuvant ARNAX.

放射治疗(RT)很少能诱导未经治疗的转移部位的肿瘤消退,即所谓的缺席效应。将合成肿瘤(EG7)移植到 Th1 显性小鼠品系(C57BL/6)中,RT 治疗后,治疗侧肿瘤消退明显,而对侧则消退较少。额外皮下注射非炎性辅助剂 ARNAX 进一步加速了未治疗侧的肿瘤消退。这表明,RT 后给予 ARNAX 能显著增强无关肿瘤的消退效果。在此基础上,我们接下来通过将合成乳腺癌肿瘤(4T1)移植到 Th2 显性小鼠品系(BALB/c)中,观察到 RT 和 ARNAX 治疗后类似的肿瘤缩小情况。结果如下:1.ARNAX增强了RT介导的肿瘤缩小,其效果与polyI:C相当;2.在Th2小鼠品系中,与单独RT治疗后治疗侧的肿瘤缩小相比,未治疗侧的肿瘤缩小很小;3.RT+ARNAX治疗使治疗侧的肿瘤缩小相加,并诱导未治疗侧的肿瘤轻微缩小;4.PD-L1抗体+RT联合治疗使治疗侧的肿瘤缩小相加,并诱导未治疗侧的肿瘤轻微缩小。4. PD-L1 抗体+RT联合疗法可使肿瘤消退,并进一步诱导 ARNAX 的相加消退;5. 与单独使用 RT 相比,RT 和 ARNAX 联合疗法可减少肺转移灶的数量和体积。然而,在接受我们的方案(一次 10Gy 放射治疗和一次 ARNAX 治疗)的小鼠中,肿瘤消退并不总是伴随着生存期的显著延长。总之,在Th2和Th1模型中,RT疗法在添加非炎性辅助剂ARNAX后都能促进肿瘤的消退。
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引用次数: 0
Coupling multifunctional ZnCoAl-layered double hydroxides on Ti-Fe2O3 photoanode for efficient photoelectrochemical water oxidation. 在 Ti-Fe2O3 光阳极上耦合多功能 ZnCoAl 层状双氢氧化物,实现高效光电化学水氧化。
IF 9.4 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-02-01 Epub Date: 2024-10-10 DOI: 10.1016/j.jcis.2024.10.036
Haiyang Cheng, Kaikai Ba, Yunan Liu, Yanhong Lin, Dejun Wang, Tengfeng Xie

The efficiency of photoelectrochemical (PEC) water splitting is hindered by the slow kinetics of the oxygen evolution reaction (OER). This study developed a composite photoanode for water oxidation by incorporating ternary LDHs (ZnCoAl-LDH) onto Ti-Fe2O3 as a cocatalyst. The ZnCoAl-LDH/Ti-Fe2O3 photoanode achieved a photocurrent density of 3.51 mA/cm2 at 1.23 V vs. RHE, which is 9.8 times higher than that of bare Ti-Fe2O3. Through a series of characterizations, the synergistic effects among the three metals were revealed. Furthermore, the addition of Zn can induce the formation of more high-valent Co, increasing the conductivity of CoAl-LDH and significantly reducing the surface charge transfer resistance. These advantages significantly enhance the injection efficiency of ZnCoAl-LDH/Ti-Fe2O3 (82 %), thereby accelerating the OER kinetics of Ti-Fe2O3. Our work introduces new approaches for selecting photoelectrochemical cocatalysts and designing high-performance photoanodes for water splitting.

光电化学(PEC)水分离的效率因氧进化反应(OER)的缓慢动力学而受到阻碍。本研究通过将三元 LDHs(ZnCoAl-LDH)结合到作为协同催化剂的 Ti-Fe2O3 上,开发了一种用于水氧化的复合光阳极。ZnCoAl-LDH/Ti-Fe2O3 光阳极在 1.23 V 对比 RHE 时的光电流密度达到 3.51 mA/cm2,是裸 Ti-Fe2O3 的 9.8 倍。通过一系列表征,三种金属之间的协同效应得以显现。此外,Zn 的加入能诱导形成更多的高价 Co,从而提高 CoAl-LDH 的电导率,并显著降低表面电荷转移电阻。这些优势大大提高了 ZnCoAl-LDH/Ti-Fe2O3 的注入效率(82%),从而加速了 Ti-Fe2O3 的 OER 动力学。我们的工作为选择光电化学协同催化剂和设计用于水分离的高性能光阳极引入了新方法。
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引用次数: 0
Zincophilic host with lattice plane matching enables stable zinc anodes in aqueous zinc-ion batteries. 晶格面匹配的亲锌宿主可在锌离子水电池中实现稳定的锌阳极。
IF 9.4 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-02-01 Epub Date: 2024-10-14 DOI: 10.1016/j.jcis.2024.10.062
Zhu Liu, Pengshu Yi, Longli Ma, Yuhang Yuan, Yuan Wang, Chuming Ye, Mingxin Ye, Jianfeng Shen

The practical application of aqueous zinc-ion batteries (AZBs) as attractive energy storage devices is severely hampered by the uncontrollable zinc dendrite growth on the metal anode. Here, a lightweight and flexible free-standing membrane of MXene/Ag nanowires (AgNWs) was synthesized via vacuum filtration to support the zinc anode. The 3D cross-linked network structure provides ample space for densely packed zinc electrodeposition. Zincophilic AgNWs that exhibit a low lattice plane mismatch with zinc lower the nucleation barrier for zinc, inducing uniform nucleation and lateral growth of zinc on the substrate. In addition, the 3D network framework effectively reduces the local current density and area capacity of the anode, creating a uniform electric field that is not conducive to zinc dendrite formation. Consequently, the highly reversible Zn@MXene/AgNWs composite anode exhibits long cycle stability of 1000 h at 2.0 mA cm-2, 1.0 mAh cm-2 in the symmetrical battery. The full battery assembled with a sodium vanadate (NVO) cathode demonstrates excellent rate performance and long cycle life (2000 cycles at 5.0 A/g). The design of zincophilic hosts with high lattice plane matching provides a promising strategy for realizing dendrite-free zinc anodes for AZBs.

锌离子水电池(AZBs)作为一种极具吸引力的储能设备,其实际应用受到金属阳极上难以控制的锌枝晶生长的严重阻碍。在这里,我们通过真空过滤合成了一种轻质、灵活的 MXene/Ag 纳米线(AgNWs)独立膜,用于支撑锌阳极。三维交联网络结构为密集的锌电沉积提供了充足的空间。嗜锌 AgNWs 与锌的晶格平面错配度较低,从而降低了锌的成核障碍,促使锌在基底上均匀成核并横向生长。此外,三维网络框架有效降低了阳极的局部电流密度和面积容量,形成了不利于锌枝晶形成的均匀电场。因此,高度可逆的 Zn@MXene/AgNWs 复合阳极在 2.0 mA cm-2 和对称电池中 1.0 mAh cm-2 的条件下表现出 1000 小时的长循环稳定性。与钒酸钠(NVO)阴极组装在一起的完整电池表现出卓越的速率性能和长循环寿命(在 5.0 A/g 条件下循环 2000 次)。设计具有高度晶格面匹配的亲锌基体为实现 AZB 无枝晶锌阳极提供了一种前景广阔的策略。
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引用次数: 0
Design and synthesis of esterase-activated fluorescent probe for diagnosis and surgical guidance of liver cancer. 设计和合成酯酶激活的荧光探针,用于肝癌诊断和手术引导。
IF 5.6 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-01 Epub Date: 2024-11-12 DOI: 10.1016/j.talanta.2024.127210
Yaling Su, Zhongsheng Xu, Jiemin Wang, Jing Qian, Cong Liu, Junqi Shi, Wei Liu, Xiaoli An, Wenwu Qin, Yun Liu

Liver cancer seriously threatens the health of human beings. Studies have found that esterase is overexpressed in liver cancer cells. Therefore, esterase can be one of the biomarkers of liver cancer. Previous literature studies have shown that the structures of fluorescent probe detection groups significantly impact the probes themselves and enzyme detection. In this paper, three "off-on" esterase-activated fluorescent probes (RHO-1, RHO-2 and RHO-3) with different length of the carbon chains of the detection groups were designed and synthesized. Density functional theory (DFT) calculation and Michaelis-Menten equations were applied to study the optical properties and affinity with esterase of the probes. Compared with RHO-1 and RHO-2, RHO-3 showed superior optical properties and affinity with esterase. Subsequently, RHO-3 was further used to detect esterase activity in vitro and in vivo. RHO-3 was the first esterase-activated fluorescent probe applied to image-guided diagnosis and surgical resection of liver cancer. It was expected to be a promising molecular imaging diagnostic tool in clinical applications.

肝癌严重威胁人类健康。研究发现,酯酶在肝癌细胞中过度表达。因此,酯酶可以作为肝癌的生物标志物之一。以往的文献研究表明,荧光探针检测基团的结构对探针本身和酶的检测有很大影响。本文设计并合成了三种检测基团碳链长度不同的酯酶激活型荧光探针(RHO-1、RHO-2 和 RHO-3)。应用密度泛函理论(DFT)计算和迈克尔斯-门顿方程研究了探针的光学性质和与酯酶的亲和性。与 RHO-1 和 RHO-2 相比,RHO-3 表现出更优越的光学性质和与酯酶的亲和性。随后,RHO-3 被进一步用于体外和体内酯酶活性的检测。RHO-3 是第一个应用于肝癌图像引导诊断和手术切除的酯酶激活型荧光探针。它有望成为临床应用中一种前景广阔的分子成像诊断工具。
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引用次数: 0
Tip effect of NiCo-LDH with low crystallinity for enhanced energy storage performance of yarn-shaped supercapacitors. 低结晶度 NiCo-LDH 的尖端效应可提高纱形超级电容器的储能性能。
IF 9.4 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-02-01 Epub Date: 2024-10-15 DOI: 10.1016/j.jcis.2024.10.064
Yongtao Yu, Yongping Liao, Jiangning Fan, Yuanlong Ding, Yanzhi Fan, Jun Cao, Xinghai Zhou, Ying Wang, Jun Yan, Hong Li, Dongyan Li, Jiaqing Wu

Layered double hydroxides (LDHs) are considered promising materials for supercapacitor applications. However, the development of yarn-shaped supercapacitors (YSCs) with high electrochemical performance utilizing LDHs remains challenging. In this study, the NiCo-LDHs with various morphologies (nano-needles, nano-sheets, needle-sheet composites, and nano-flowers) were grown on carbon nanotubes (CNTs)-functionalized cotton yarn via a co-precipitation technique for YSC applications. Among these, the yarn incorporating nano-needle NiCo-LDHs exhibited reduced crystallinity yet demonstrated a superior areal capacitance compared to other morphologies, following a diffusion-controlled process. Finite element simulations were subsequently conducted to investigate this phenomenon, revealing that the lower-crystallinity nano-needle NiCo-LDHs accumulated a greater charge at their tips, thereby enhancing redox reactions and achieving higher energy storage capacitance. Subsequently, the yarns with nano-needle NiCo-LDHs were assembled into flexible quasi-solid-state symmetric YSCs, achieving a peak areal capacitance of 124.27 mF cm-2 and an exceptionally high energy density of 39.4 μWh cm-2 at a current density of 0.2 mA cm-2. Furthermore, our YSCs can be scaled up through serial or parallel connections and integrated into fabrics, making them suitable for wearable energy storage applications. This work provides an efficient method for fabricating high-performance YSCs and demonstrates significant potential for wearable energy storage devices.

层状双氢氧化物(LDHs)被认为是超级电容器的理想应用材料。然而,利用 LDHs 开发具有高电化学性能的纱状超级电容器(YSCs)仍然具有挑战性。本研究通过共沉淀技术,在碳纳米管(CNTs)功能化棉纱上生长出不同形态(纳米针状、纳米片状、针片复合材料和纳米花状)的镍钴低密度聚乙烯,并将其应用于 YSC。其中,与其他形态的纱线相比,纳米针状镍-LDHs 的结晶度较低,但在扩散控制过程中表现出更优越的面积电容。随后进行了有限元模拟来研究这一现象,结果发现结晶度较低的纳米针状 NiCo-LDHs 在其顶端积累了更多电荷,从而增强了氧化还原反应,实现了更高的储能电容。随后,纳米针状镍-LDHs纱线被组装成柔性准固态对称YSC,在0.2 mA cm-2的电流密度下实现了124.27 mF cm-2的峰值面积电容和39.4 μWh cm-2的超高能量密度。此外,我们的 YSC 还可以通过串联或并联进行放大,并集成到织物中,使其适用于可穿戴储能应用。这项工作为制造高性能 YSC 提供了一种高效方法,并展示了可穿戴储能设备的巨大潜力。
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引用次数: 0
High-throughput screening of fentanyl analogs. 高通量筛选芬太尼类似物。
IF 5.6 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-01 Epub Date: 2024-11-12 DOI: 10.1016/j.talanta.2024.127191
Samuel A Miller, Andrew R Forero, Lilian Valadares Tose, Jordan E Krechmer, Felician Muntean, Francisco Fernandez-Lima

This study presents an analytical approach coupling novel ambient ionization sources with trapped ion mobility spectrometry (TIMS) and tandem mass spectrometry (MS/MS) for the rapid characterization of fentanyl analogs. Two ambient ionization sources were illustrated for minimal sample preparation and rapid analysis: electrospray ionization (nESI) and direct analysis in real time (DART). Fentanyl analogs can be separated using nESI-TIMS-MS/MS based on differences in their mobility and/or fragmentation pattern; reference mobility spectra are reported for 234 single standards. In contrast, DART-TIMS-MS/MS allowed for the characterization of 201 compounds due to differences in the protonation pattern and efficiency when compared to nESI. The TIMS high resolving power (R > 80) allowed baseline separation for most isomers and mobility trends were established for methylated and fluorinated isomers, with the more compact ortho-substituted analogs showing distinct separation from para- and meta-substituted species. This multi-dimensional strategy offers a comprehensive characterization of fentanyl analogs and other synthetic opioids with minimal sample preparation. This analysis shows significant potential for high-throughput screening (<5 min) and high sensitivity detection (

本研究介绍了一种将新型环境电离源与捕获离子迁移谱(TIMS)和串联质谱(MS/MS)相结合的分析方法,用于快速鉴定芬太尼类似物。两种环境电离源:电喷雾电离(nESI)和实时直接分析(DART)可实现最少的样品制备和快速分析。使用 nESI-TIMS-MS/MS 可以根据芬太尼类似物迁移率和/或碎片模式的差异对其进行分离;报告了 234 种单一标准品的参考迁移率光谱。相比之下,DART-TIMS-MS/MS 与 nESI 相比,由于质子化模式和效率的差异,可对 201 种化合物进行表征。TIMS 的高分辨率(R > 80)允许对大多数异构体进行基线分离,并为甲基化和氟化异构体确定了迁移率趋势,更紧凑的正取代类似物与对位和偏取代物种显示出明显的分离。这种多维策略只需最少的样品制备就能对芬太尼类似物和其他合成阿片类药物进行全面表征。这种分析显示了高通量筛选的巨大潜力 (
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引用次数: 0
A miniaturized GC detector employing μ-arc emission spectrometry with sub-nanogram detection using air carrier gas. 微型气相色谱检测器,采用μ-电弧发射光谱法,使用空气载气进行亚纳克检测。
IF 5.6 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-01 Epub Date: 2024-11-13 DOI: 10.1016/j.talanta.2024.127216
Ping Chen, Chia-Jung Lu

This study presents a gas chromatographic detector using alternating current (AC) discharged in air to generate μ-arc at atmosphereic pressure. This air-based μ-arc emission detector (μ-AED) was assembled by two stainless-steel syringe needles inside a quartz tube. The length of μ-arc (i.e., distance of discharge) measures 550 μm. The organic compounds with various functional groups were chromatographically separated and fed into the μ-AED. The intensity changes in the emission spectrum were recorded as these compounds passing through the μ-arc. When organic compounds pass through the μ-arc, the changes in emission intensity could go either increase or decrease depending on the input power and underlying mechanisms. It was found that when operating the μ-arc at relatively low power, organic samples present as negative peaks, and better S/N ratio were obtained. The detection limits (3σ/s) range from 209 pg for n-butyl acetate to 552 pg for 1-chloropentane. A selectivity study reveals that μ-AED is more sensitive to oxygen-containing and aromatic compounds. The μ-AED developed in this study demonstrates the simplest design with reasonable miniaturization. The direct discharge in air makes this μ-AED suitable for future application with μ-GC which uses scrubbed air as carrier gas and eliminates bulky gas cylinders.

本研究提出了一种气相色谱检测器,利用在空气中放电的交流电在大气压下产生μ-电弧。这种基于空气的微弧发射检测器(μ-AED)是由石英管内的两个不锈钢注射针头组装而成的。μ弧的长度(即放电距离)为 550 μm。不同官能团的有机化合物经色谱分离后被送入μ-AED。当这些化合物通过 μ 射弧时,发射光谱的强度变化被记录下来。当有机化合物通过μ-电弧时,发射强度的变化可能会增加或减少,这取决于输入功率和基本机制。研究发现,当以相对较低的功率操作微弧时,有机样品会出现负峰,并获得较好的信噪比。检测限(3σ/s)从乙酸正丁酯的 209 pg 到 1-chloropentane 的 552 pg 不等。选择性研究表明,μ-AED 对含氧化合物和芳香化合物更为敏感。本研究中开发的 μ-AED 展示了最简单的设计和合理的微型化。在空气中直接放电使这种 μ-AED 适合于将来与 μ-GC 配合使用,后者使用洗涤空气作为载气,省去了笨重的气瓶。
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引用次数: 0
Corrigendum to "Detection and analysis of cerebral aneurysms based on X-ray rotational angiography - the CADA 2020 challenge" [Medical Image Analysis, April 2022, Volume 77, 102333]. 基于 X 射线旋转血管造影的脑动脉瘤检测和分析--CADA 2020 挑战"[《医学图像分析》,2022 年 4 月,第 77 卷,102333] 勘误。
IF 10.7 1区 医学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE Pub Date : 2025-02-01 Epub Date: 2024-10-10 DOI: 10.1016/j.media.2024.103363
Matthias Ivantsits, Leonid Goubergrits, Jan-Martin Kuhnigk, Markus Huellebrand, Jan Bruening, Tabea Kossen, Boris Pfahringer, Jens Schaller, Andreas Spuler, Titus Kuehne, Yizhuan Jia, Xuesong Li, Suprosanna Shit, Bjoern Menze, Ziyu Su, Jun Ma, Ziwei Nie, Kartik Jain, Yanfei Liu, Yi Lin, Anja Hennemuth
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引用次数: 0
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