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A cationic complex scavenges radicals to suppress chain reaction and enhance sulfite denitration: mechanism and kinetics. 阳离子配合物清除自由基,抑制链式反应,促进亚硫酸盐脱硝:机理和动力学。
IF 9.6 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-12-15 Epub Date: 2026-07-03 DOI: 10.1016/j.jcis.2026.141062
Jingwen Qian, Zheng Lian, Shule Zhang, Qin Zhong

The inefficient capture of industrially emitted NOx in wet absorption denitration technology owing to the substantial ineffective oxidation of active component in conventional aqueous absorbent by O2 in flue gas impedes atmospheric pollution mitigation. The central point is the fast oxidation kinetics of SO32- through O2-mediated SO3·- radical chain reactions. This work developed an oxidation-resistant aqueous absorbent by combining the cationic trapping agent 18-Crown-6 (18C6) with a typical sulfite solution. IC, 1H NMR, ESI-MS, EPR, ion competition, and simulations at the DFT level collectively verified a new antioxidant pathway to block the chain reaction, including the precise trap of key radicals intermediate by self-assembled [18C6·Na]+ cations. Compared to the sulfite solution, the 18C6/Na2SO3 absorbent increased its optimal absorption efficiency from 93.5% to 97% and extended its effective absorption time from 16 to 30 min. Furthermore, FT-IR, 1H NMR, and a 1135-min continuous absorption demonstrated the promising recyclability of 18C6. Additionally, denitration performance under varied operating conditions was evaluated, and a macro-kinetic model based on multiple parameters was established, offering guidance for practical wet flue gas denitration (WFGD). This antioxidant method avoids additive consumption, utilizes often-overlooked alkali metal cations, and expands application prospects for aqueous absorbents.

在湿式吸收脱硝技术中,由于传统水性吸收剂中的活性成分被烟气中的O2大量无效氧化,工业排放的氮氧化物捕获效率低下,阻碍了大气污染的缓解。研究的中心点是SO32-通过o2介导的SO3·自由基链反应的快速氧化动力学。本工作通过将阳离子捕集剂18-Crown-6 (18C6)与典型的亚硫酸盐溶液结合,开发了一种抗氧化水性吸收剂。IC、1H NMR、ESI-MS、EPR、离子竞争和DFT水平的模拟共同验证了一种新的抗氧化途径来阻断链反应,包括由自组装的[18C6·Na]+阳离子精确捕获中间的关键自由基。与亚硫酸盐溶液相比,18C6/Na2SO3吸附剂的最佳吸收效率从93.5%提高到97%,有效吸收时间从16 min延长到30 min。此外,FT-IR, 1H NMR和1135 min的连续吸收表明18C6具有良好的可回收性。并对不同工况下的脱硝性能进行了评价,建立了基于多参数的宏观动力学模型,为实际湿法烟气脱硝提供指导。这种抗氧化方法避免了添加剂的消耗,利用了经常被忽视的碱金属阳离子,扩大了水性吸收剂的应用前景。
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引用次数: 0
Unveiling the synergy of Interface and defects in V2O3/VN heterojunctions for high-performance aqueous zinc-ion batteries. 揭示高性能水性锌离子电池中V2O3/VN异质结界面和缺陷的协同作用。
IF 9.6 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-12-15 Epub Date: 2026-07-13 DOI: 10.1016/j.jcis.2026.141130
Dongfei Sun, Minghui Xue, Huanle Niu, Ni Zhang, Junlin Yang, Jingxin Zhao, Bingang Xu

Aqueous zinc-ion batteries (AZIBs) represent promising candidates for large-scale energy storage owing to their inherent safety, low cost, and environmental friendliness. However, developing cathode materials that simultaneously achieve high capacity and long-term cycling stability remains a critical challenge. Herein, we report the rational design and synthesis of a series of Vanadium trioxide/Vanadium nitride (V2O3/VN) heterostructured composites through a controlled partial nitridation process using a vanadium-based metal-organic framework as a precursor. This strategy enables the in-situ formation of a conductive carbon matrix and the construction of an intimate heterointerface between V2O3 and VN. A key innovation lies in the precise tuning of the V2O3-to-VN ratio, which governs the heterostructure morphology, defect concentration, and resulting electrochemical properties. The optimized V2O3/VN composite leverages the complementary attributes of its constituents: the structural stability and high theoretical capacity of V2O3, along with the superior electrical conductivity and electrochemical activity of VN. Synergistic effects at the heterointerface not only facilitate rapid electron and ion transport but also effectively accommodate volume variations during repeated cycling. Moreover, the presence of oxygen vacancies enhances Zn2+ adsorption and diffusion kinetics. Therefore, the V2O3/VN cathode delivers a high specific capacity of 528 mAh g-1 at 0.1 A g-1, and retains 244 mAh g-1 after 2000 cycles at 5 A g-1, corresponding to a capacity fading rate of 0.025% per cycle. This work highlights the critical roles of component ratio optimization and interface engineering, providing a promising strategy for the development of advanced AZIB cathodes.

水锌离子电池(azib)由于其固有的安全性、低成本和环境友好性而成为大规模储能的有希望的候选者。然而,开发同时实现高容量和长期循环稳定性的阴极材料仍然是一个关键的挑战。本文报道了以钒基金属有机骨架为前驱体,通过可控部分氮化工艺,合理设计和合成了一系列三氧化钒/氮化钒(V2O3/VN)异质结构复合材料。这种策略能够原位形成导电碳基体,并在V2O3和VN之间构建亲密的异质界面。一个关键的创新在于v2o3 - vn比的精确调整,这决定了异质结构形态、缺陷浓度和由此产生的电化学性能。优化后的V2O3/VN复合材料充分利用了其组成成分的互补属性:V2O3的结构稳定性和高理论容量,以及VN优越的导电性和电化学活性。异质界面上的协同效应不仅促进了电子和离子的快速传递,而且有效地适应了重复循环过程中的体积变化。此外,氧空位的存在增强了Zn2+的吸附和扩散动力学。因此,V2O3/VN阴极在0.1 a g-1下可提供528 mAh g-1的高比容量,并在5 a g-1下循环2000次后保持244 mAh g-1,相当于每循环容量衰减率为0.025%。这项工作强调了组分比优化和界面工程的关键作用,为先进AZIB阴极的开发提供了一个有前途的策略。
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引用次数: 0
Dual-doped polypyrrole for high-capacity aqueous zinc-ion batteries. 大容量水锌离子电池用双掺杂聚吡咯。
IF 9.6 1区 化学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-12-15 Epub Date: 2026-07-13 DOI: 10.1016/j.jcis.2026.141125
Bo Li, Peng Hei, Yulai Lin, Jianming Meng, Yuqing Wang, Lei Wang, Xiao-Xia Liu, Xiaoqi Sun, Weibin Cui, Yu Song

Cathode materials for aqueous zinc-ion batteries (AZIBs) often encounter challenges related to low electronic conductivity and sluggish ion transport, particularly when using thick electrode materials. Here, we report for the first time the fabrication of an iodide and heptamolybdate dual-doped polypyrrole (PPy-I-Mo) cathode, prepared through an electrodeposition method for AZIBs. The redox-active dopants not only contribute additional capacity to the composite but also modulate the morphology and electronic structure of the polymer, thereby enhancing both ion and electron transport. Moreover, the strong interactions between heptamolybdate and the I-based species not only effectively confine the dopants within the PPy matrix, preventing counterion depletion, but also facilitate the redox kinetics of iodine. As a result, the PPy-I-Mo electrode, with a high mass loading of 125 mg cm-2, achieves an exceptional areal capacity of approximately 7 mAh cm-2, significantly surpassing the capacities of mono-doped PPy-Mo (0.83 mAh cm-2) and PPy-I (2.07 mAh cm-2). This performance outperforms other reported conducting polymer-based electrodes for AZIBs. Furthermore, this dual-doping strategy can be extended to fabricate other high-performance conducting polymers, such as poly(3,4-ethylenedioxythiophene) and polyaniline. These findings open new avenues for designing high-performance conducting polymers for advanced energy storage devices.

水性锌离子电池(AZIBs)的正极材料经常遇到与低电子导电性和缓慢离子传输相关的挑战,特别是在使用厚电极材料时。在这里,我们首次报道了通过电沉积方法制备的碘和七钼酸盐双掺杂聚吡咯(py - i - mo)阴极。氧化还原活性掺杂剂不仅为复合材料提供了额外的容量,而且还调节了聚合物的形态和电子结构,从而增强了离子和电子的传递。此外,七钼酸盐与i基物质之间的强相互作用不仅有效地将掺杂物限制在PPy基质内,防止反离子耗尽,而且还促进了碘的氧化还原动力学。结果表明,在125 mg cm-2的高质量负载下,PPy-I- mo电极的面积容量约为7 mAh cm-2,大大超过了单掺杂的py - mo (0.83 mAh cm-2)和py - i (2.07 mAh cm-2)的容量。这种性能优于其他报道的用于azib的导电聚合物基电极。此外,这种双掺杂策略可以扩展到制造其他高性能导电聚合物,如聚(3,4-乙烯二氧噻吩)和聚苯胺。这些发现为设计用于先进储能装置的高性能导电聚合物开辟了新的途径。
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引用次数: 0
The effects of exercise on episodic memory in patients with depression: a three-level meta-analysis. 运动对抑郁症患者情景记忆的影响:一项三水平荟萃分析。
IF 5.7 2区 医学 Q1 CLINICAL NEUROLOGY Pub Date : 2026-12-01 Epub Date: 2026-08-25 DOI: 10.1016/j.jad.2026.122418
Jiawen Ma, Xiaoyu Xie, Yansong Li, Xue Xia

Objective: Using a three-level meta-analysis approach, this study evaluated the effects of exercise on episodic memory in patients with depression and explored its moderating variables.

Methods: A systematic search was conducted across seven databases to identify randomized controlled trials examining the effects of exercise interventions on episodic memory in patients with depression. Two researchers independently screened studies, extracted data, and assessed the risk of bias. A three-level meta-analysis was performed to calculate the pooled effect size (Hedges' g), and subgroup analyses were conducted to explore moderating variables.

Results: A total of 13 randomized controlled trials (1098 participants) were included. Exercise showed a significant small-to-moderate positive effect on episodic memory in patients with depression (g = 0.210, 95% CI [0.10, 0.32]). Descriptively, significant improvements were observed for delayed recall (g = 0.213) and immediate recall (g = 0.206), whereas the effect for total learning was not significant (g = 0.243). No significant differences were found across memory indices or exercise characteristics (all ps > 0.05). Sensitivity analyses confirmed the robustness of the findings, and the certainty of evidence was rated as moderate.

Conclusion: Exercise may provide small-to-moderate benefits for the episodic memory of patients with depression. No significant differences were observed among different memory indices or exercise characteristics, suggesting that these benefits are generally consistent under the conditions studied. Future research should standardize the assessment of episodic memory, extend the follow-up period, and further determine the optimal exercise prescriptions and its underlying mechanisms.

目的:采用三水平荟萃分析方法,评估运动对抑郁症患者情景记忆的影响,并探讨其调节变量。方法:对七个数据库进行系统搜索,以确定随机对照试验,检查运动干预对抑郁症患者情景记忆的影响。两名研究人员独立筛选研究、提取数据并评估偏倚风险。采用三水平荟萃分析来计算合并效应大小(Hedges' g),并进行亚组分析来探索调节变量。结果:共纳入13项随机对照试验(1098名受试者)。运动对抑郁症患者的情景记忆有显著的小到中度的积极作用(g = 0.210,95% CI[0.10, 0.32])。描述性地,延迟回忆(g = 0.213)和即时回忆(g = 0.206)显著改善,而总学习的影响不显著(g = 0.243)。在记忆指标或运动特征方面没有发现显著差异(所有ps > 0.05)。敏感性分析证实了研究结果的稳健性,证据的确定性被评为中等。结论:运动可以为抑郁症患者的情景记忆提供小到中度的益处。在不同的记忆指数或运动特征之间没有观察到显著的差异,这表明这些益处在研究条件下大致是一致的。未来的研究应规范情景记忆的评估,延长随访期,并进一步确定最佳运动处方及其潜在机制。
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引用次数: 0
Exploratory non-randomized clinical trial of subcutaneous esketamine in treatment-resistant depression: Effects of ketamine-assisted psychotherapy. 皮下艾氯胺酮治疗难治性抑郁症的初步非随机临床试验:探索氯胺酮辅助心理治疗的辅助作用。
IF 5.7 2区 医学 Q1 CLINICAL NEUROLOGY Pub Date : 2026-12-01 Epub Date: 2026-08-10 DOI: 10.1016/j.jad.2026.122369
Yves Martins Varela, Patricia Cavalcanti-Ribeiro, Geovan Menezes de Sousa, Marcelo Falchi-Carvalho, Juliana Dos Santos Fernandes Barbalho, Raynara Bolcont de Oliveira Gomes, Melanie Moura Medina Gurgel, Bruno Carvalho Pereira, Pâmela Milena de Lima Souza, Kaike Thiê da Costa Gonçalves, Mariana Muniz, Victor Rocha Nóbrega de Almeida, Luiz Felipe Dantas Pereira, David Cavalcante Barbosa, Bruna Santos de Carvalho, Eduardo Igor Torquato Cardoso Lopes, Ariadne Cruz de Oliveira, Draulio Barros de Araujo, Fernanda Palhano-Fontes, Gisele Fernandes-Osterhold, Nicole Galvão-Coelho

Background: Ketamine is an effective rapid-acting treatment for treatment-resistant depression (TRD), producing antidepressant effects within hours of administration. Because it induces states of heightened neuroplasticity and psychological openness, psychotherapy may enhance its therapeutic effects.

Methods: This exploratory, nonrandomized, open-label clinical trial evaluated the adjunctive effects of ketamine-assisted psychotherapy (KAP) in an outpatient setting. Forty-six patients with TRD received eight weekly sessions of subcutaneous esketamine (0.5-1.0 mg/kg) and were sequentially allocated to esketamine alone (KET, n = 23) or esketamine plus KAP (n = 23). Depressive symptoms were assessed using the Montgomery-Åsberg Depression Rating Scale (MADRS) and the Beck Depression Inventory-II (BDI-II) during treatment and at follow-up assessments up to six months after protocol completion.

Results: Both groups showed significant reductions in depressive symptoms. MADRS scores were significantly lower in the KAP group at the seventh and eighth sessions (p = 0.015 and p = 0.041). At treatment completion, response and remission rates were 52.2% and 34.8% in the KET group versus 78.3% and 78.3% in the KAP group; the between-group difference was significant only for remission (p = 0.007). BDI-II scores also indicated earlier subjective improvement in the KAP group. No significant between-group differences were observed during the six-month follow-up.

Conclusions: These findings suggest that structured psychotherapeutic support may accelerate symptomatic improvement and increase remission rates during subcutaneous esketamine treatment for TRD, without improving the durability of response. Randomized controlled trials are needed to clarify the specific contribution of psychotherapy, investigate the mechanisms underlying this interaction, and optimize integrated treatment approaches.

背景:氯胺酮是治疗难治性抑郁症(TRD)的有效速效药物,在给药数小时内产生抗抑郁作用。因为它诱导神经可塑性和心理开放性的提高,心理治疗可以增强其治疗效果。方法:这项探索性、非随机、开放标签的临床试验评估了氯胺酮辅助心理治疗(KAP)在门诊的辅助效果。46例TRD患者每周接受8次皮下注射艾氯胺酮(0.5-1.0 mg/kg),并依次分配到艾氯胺酮单药组(KET, n = 23)或艾氯胺酮加KAP组(n = 23)。在治疗期间和方案完成后6个月的随访评估中,使用Montgomery-Åsberg抑郁评定量表(MADRS)和Beck抑郁量表- ii (BDI-II)评估抑郁症状。结果:两组患者抑郁症状均明显减轻。KAP组在第7次和第8次MADRS评分显著降低(p = 0.015和p = 0.041)。治疗完成时,KET组的缓解率和缓解率分别为52.2%和34.8%,而KAP组的缓解率和缓解率分别为78.3%和78.3%;组间差异仅在缓解方面有统计学意义(p = 0.007)。BDI-II评分也表明KAP组的主观改善更早。在六个月的随访中,未观察到组间的显著差异。结论:这些研究结果表明,在皮下艾氯胺酮治疗TRD期间,结构化的心理治疗支持可能会加速症状改善并增加缓解率,但不会提高反应的持久性。需要随机对照试验来澄清心理治疗的具体作用,研究这种相互作用的机制,并优化综合治疗方法。
{"title":"Exploratory non-randomized clinical trial of subcutaneous esketamine in treatment-resistant depression: Effects of ketamine-assisted psychotherapy.","authors":"Yves Martins Varela, Patricia Cavalcanti-Ribeiro, Geovan Menezes de Sousa, Marcelo Falchi-Carvalho, Juliana Dos Santos Fernandes Barbalho, Raynara Bolcont de Oliveira Gomes, Melanie Moura Medina Gurgel, Bruno Carvalho Pereira, Pâmela Milena de Lima Souza, Kaike Thiê da Costa Gonçalves, Mariana Muniz, Victor Rocha Nóbrega de Almeida, Luiz Felipe Dantas Pereira, David Cavalcante Barbosa, Bruna Santos de Carvalho, Eduardo Igor Torquato Cardoso Lopes, Ariadne Cruz de Oliveira, Draulio Barros de Araujo, Fernanda Palhano-Fontes, Gisele Fernandes-Osterhold, Nicole Galvão-Coelho","doi":"10.1016/j.jad.2026.122369","DOIUrl":"10.1016/j.jad.2026.122369","url":null,"abstract":"<p><strong>Background: </strong>Ketamine is an effective rapid-acting treatment for treatment-resistant depression (TRD), producing antidepressant effects within hours of administration. Because it induces states of heightened neuroplasticity and psychological openness, psychotherapy may enhance its therapeutic effects.</p><p><strong>Methods: </strong>This exploratory, nonrandomized, open-label clinical trial evaluated the adjunctive effects of ketamine-assisted psychotherapy (KAP) in an outpatient setting. Forty-six patients with TRD received eight weekly sessions of subcutaneous esketamine (0.5-1.0 mg/kg) and were sequentially allocated to esketamine alone (KET, n = 23) or esketamine plus KAP (n = 23). Depressive symptoms were assessed using the Montgomery-Åsberg Depression Rating Scale (MADRS) and the Beck Depression Inventory-II (BDI-II) during treatment and at follow-up assessments up to six months after protocol completion.</p><p><strong>Results: </strong>Both groups showed significant reductions in depressive symptoms. MADRS scores were significantly lower in the KAP group at the seventh and eighth sessions (p = 0.015 and p = 0.041). At treatment completion, response and remission rates were 52.2% and 34.8% in the KET group versus 78.3% and 78.3% in the KAP group; the between-group difference was significant only for remission (p = 0.007). BDI-II scores also indicated earlier subjective improvement in the KAP group. No significant between-group differences were observed during the six-month follow-up.</p><p><strong>Conclusions: </strong>These findings suggest that structured psychotherapeutic support may accelerate symptomatic improvement and increase remission rates during subcutaneous esketamine treatment for TRD, without improving the durability of response. Randomized controlled trials are needed to clarify the specific contribution of psychotherapy, investigate the mechanisms underlying this interaction, and optimize integrated treatment approaches.</p>","PeriodicalId":14963,"journal":{"name":"Journal of affective disorders","volume":" ","pages":"122369"},"PeriodicalIF":5.7,"publicationDate":"2026-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148706656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Immunoelectroanalytical multiplexing of RNA methylation signatures to decode oncogenic point mutations in cancer cells. RNA甲基化特征的免疫电分析复用以解码癌细胞中的致癌点突变。
IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-12-01 Epub Date: 2026-06-21 DOI: 10.1016/j.talanta.2026.130180
Víctor Pérez-Ginés, Rebeca M Torrente-Rodríguez, Raquel Rejas-González, Ana Montero-Calle, María Pedrero, José M Pingarrón, Rodrigo Barderas, Susana Campuzano

Epigenomic and epitranscriptomic alterations-particularly RNA methylations such as N6-methyladenosine (m6A), N5-methylcytosine (m5C), N1-methyladenosine (m1A), and N7-methylguanosine (m7G)-are increasingly recognized as pivotal regulators in the pathobiology of colorectal cancer (CRC) and other highly prevalent disorders. Despite their growing clinical and biological relevance, rapid and robust electrochemical strategies enabling the single (m1A, m7G) or multiplexed quantification of these RNA modifications remain unavailable. Herein, we report an indirect competitive, four-analyte amperometric immunoassay that enables the simultaneous determination of m6A, m5C, m1A, and m7G. BSA-conjugated methylated synthetic nucleotides covalently attached to magnetic carboxylated microsized-beads (HOOC-MμBs) competed with freely methylated nucleotides in the target sample for specific anti-epimark detection antibodies. Thereafter, labeling with horseradish peroxidase (HRP)-conjugated secondary antibodies (Ab2-HRP) enabled amperometric readout at screen-printed carbon electrodes (SPCEs) for single or multiplexed transduction. The developed bioplatforms exhibited high selectivity, negligible cross-interference, and a significantly reduced assay time (30 min), supporting their integration into a robust multiplexed format. Application in CRC cellular scenarios, using only nanograms of total RNA, allowed differential profiling of basal and pathway-activated states across five cell lines, revealing distinct RNA methylation patterns associated with diverse biological and genetic backgrounds. Moreover, as proof of concept, an octuple-detection configuration was implemented for parallel analysis of the four methylations in two cell types, wild-type and harboring the clinically relevant KRAS G12V mutation, allowing the evaluation of associations between the target epimark expression levels and this oncogenic point mutation.

表观基因组和外转录组学的改变——尤其是RNA甲基化,如n6 -甲基腺苷(m6A)、n5 -甲基胞嘧啶(m5C)、n1 -甲基腺苷(m1A)和n7 -甲基鸟苷(m7G)——越来越被认为是结直肠癌(CRC)和其他高度流行疾病病理生物学中的关键调节因子。尽管它们在临床和生物学上的相关性越来越大,但快速而强大的电化学策略仍然无法实现这些RNA修饰的单(m1A, m7G)或多重定量。在此,我们报告了一种间接竞争的四分析物安培免疫分析法,可以同时测定m6A、m5C、m1A和m7G。bsa偶联的甲基化合成核苷酸共价附着于磁性羧化微球(HOOC-MμBs)上,与靶样品中的自由甲基化核苷酸竞争,获得特异性抗附标检测抗体。此后,用辣根过氧化物酶(HRP)偶联二抗(Ab2-HRP)标记,在丝网印刷碳电极(spce)上进行单路或多路转导的电流读数。开发的生物平台具有高选择性,可忽略交叉干扰,并显着缩短分析时间(30 min),支持其集成到强大的多路复用格式。在结直肠癌细胞场景中,仅使用纳克总RNA,就可以对五种细胞系的基础和途径激活状态进行差异分析,揭示与不同生物和遗传背景相关的不同RNA甲基化模式。此外,作为概念的证明,采用八元检测配置对野生型和具有临床相关KRAS G12V突变的两种细胞类型中的四种甲基化进行平行分析,从而评估目标表观标记表达水平与这种致癌点突变之间的关系。
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引用次数: 0
Colorimetric swab and turbidimetric sensing for dual-mode point-of-use testing of demeton pesticide in foods based on oxidase-like Cu2O@Ag nanoprobe. 基于氧化酶样Cu2O@Ag纳米探针的比色拭子和浊度传感在食品中双模式使用点检测中的应用
IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-12-01 Epub Date: 2026-06-20 DOI: 10.1016/j.talanta.2026.130192
Yi Liu, Yinxia Yang, Jialin Liang, Lei Han, Qian Zhao, Jie Luo, Shi Gang Liu

Dual-mode sensing can enhance detection reliability by cross-validating results from distinct signals. Herein, a colorimetric and turbidimetric dual-mode sensing platform based on Cu2O@Ag nanozyme with robust oxidase-like activity is developed for point-of-use (POU) detection of demeton. The Cu2O@Ag efficiently catalyzes the oxidation of 3,3',5,5'-tetramethylbenzidine (TMB), producing concurrent absorbance and turbidity signals. Demeton blocks active sites and suppresses catalytic activity in a concentration-dependent manner. Based on the principle, two modes for POU testing of demeton are developed. The first mode is based on a smartphone-assisted colorimetric swab and shows a linear range of 50 - 4000 ng/mL with the detection limit of 0.190 ng/mL. The other is based on a portable turbidimeter and exhibits a linear detection range of 50 to 3000 ng/mL with a detection limit of 2.997 ng/mL. The approaches are successfully validated in real food samples including baby cabbage, lettuce, cilantro, and tea leaves. This work presents a rapid, low-cost, and instrument-flexible dual-mode sensing strategy for on-site analysis of demeton residue. Also, the dual-mode detection based on colorimetric and turbidimetric signals for the first time offers a novel insight for dual-mode sensing.

双模检测通过对不同信号的检测结果进行交叉验证,提高了检测的可靠性。本文开发了一种基于Cu2O@Ag纳米酶的比色和比浊双模式传感平台,该平台具有强大的氧化酶样活性,用于使用点(POU)检测demeton。Cu2O@Ag有效催化3,3',5,5'-四甲基联苯胺(TMB)的氧化,同时产生吸光度和浊度信号。Demeton阻断活性位点并以浓度依赖的方式抑制催化活性。在此基础上,建立了两种测试模式。第一种模式基于智能手机辅助比色棉签,线性范围为50 - 4000 ng/mL,检出限为0.190 ng/mL。另一种是基于便携式浊度计,线性检测范围为50 ~ 3000 ng/mL,检出限为2.997 ng/mL。这些方法已经在真实的食物样品中得到了成功的验证,包括小卷心菜、生菜、香菜和茶叶。本工作提出了一种快速、低成本、仪器灵活的双模传感策略,用于现场分析土墨顿残留物。此外,基于比色和浊度信号的双模检测首次为双模传感提供了新的见解。
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引用次数: 0
Enhancing spectral interpretability and band selection prior to prediction model development via CAKE. 在利用CAKE开发预测模型之前,提高光谱可解释性和波段选择。
IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-12-01 Epub Date: 2026-06-19 DOI: 10.1016/j.talanta.2026.130168
Minh-Quan Nguyen, Mizuki Tsuta, Mito Kokawa

A direct, singular causal relationship between the objective variable and spectral data underpins reliable and robust prediction models that avoid spurious correlations. However, machine learning models often lack causal interpretability due to their "black-box" nature. To address this, we developed the Causal Analysis via Kernel Estimation (CAKE), a framework that reveals single-component bands using only variables from the calibration model. CAKE employs an information-theoretic approach by calculating the differences in mutual information between variables and regression residuals to indicate causal direction. A Kernel Density Estimation (KDE) classifier further distinguishes causal structures prone to spurious correlations. The framework was optimized on simulated data and validated on real-world spectral measurements. Seven causal structures were constructed for the simulated data, while real-world data came from near-infrared and fluorescence spectroscopy of three-solvent mixtures (dimethyl sulfoxide, ethylene glycol, and glycerol). Three causality types - spectral bands with a single direct cause, hidden causes, and confounders - were distinctly characterized by density functions within the framework, enabling the accurate classification of all single-component bands into their respective causal structures. Compared with post-hoc approaches, such as external model validation and common variable selection indices, CAKE identifies reliable spectral bands that exclude spurious correlations across diverse spectroscopic applications while operating independently of the calibration process and requiring no prior knowledge of pure spectra. Although CAKE is designed as a pre-calibration method rather than a prediction-optimized variable selector, it achieves improved predictive accuracy, demonstrating that causal reliability and practical performance are not mutually exclusive.

客观变量和光谱数据之间的直接的、单一的因果关系支撑了可靠和稳健的预测模型,避免了虚假的相关性。然而,由于机器学习模型的“黑箱”性质,它们往往缺乏因果可解释性。为了解决这个问题,我们开发了通过核估计的因果分析(CAKE),这是一个仅使用校准模型中的变量来揭示单分量波段的框架。CAKE采用信息论方法,通过计算变量之间互信息的差异和回归残差来指示因果方向。核密度估计(KDE)分类器进一步区分容易产生伪相关的因果结构。该框架在模拟数据上进行了优化,并在实际光谱测量上进行了验证。模拟数据构建了7个因果结构,而真实数据来自三溶剂混合物(二甲基亚砜、乙二醇和甘油)的近红外和荧光光谱。三种因果关系类型-具有单一直接原因、隐藏原因和混杂原因的光谱带-在框架内的密度函数中具有明显的特征,从而能够将所有单组分波段准确分类到各自的因果结构中。与外部模型验证和常用变量选择指数等事后方法相比,CAKE识别出可靠的光谱带,排除了不同光谱应用中的虚假相关性,同时独立于校准过程运行,不需要对纯光谱有任何先验知识。虽然CAKE被设计为一种预校准方法,而不是预测优化变量选择器,但它实现了更高的预测精度,表明因果可靠性和实际性能并不相互排斥。
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引用次数: 0
Multicomponent recognition and on-site detection of oral antidiabetic drugs based on a host-guest fluorescent sensor array. 基于主客体荧光传感器阵列的口服降糖药多组分识别及现场检测。
IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-12-01 Epub Date: 2026-06-18 DOI: 10.1016/j.talanta.2026.130165
Hong-Yuan Hu, Qing Tang, Qing Fan, Jin-Xian Luo, Nan Dong, Zhu Tao, Ying Huang

Hypoglycemia, a serious complication of diabetes, requires prompt identification of its underlying cause. Unlike conventional lock-and-key methods, which generally require a dedicated sensor for each analyte, we constructed a supramolecular fluorescent sensor array for multiplex oral antidiabetic drug (OAD) detection using only two sensing units: cucurbit[8]uril (Q[8]) as the host, along with a synthesized bpep-Am derivative and palmatine as fluorescent probes. Upon introduction of OADs, competitive guest displacement generates differential fluorescence "fingerprints". In combination with linear discriminant analysis, the array fully discriminated five OADs (metformin, phenformin, buformin, rosiglitazone, and sitagliptin), with a detection limit as low as 0.218 μM, 100% classification accuracy in artificial urine and guinea pig serum, and >93% recovery for spiked sitagliptin and phenformin. The sensor array was further integrated into a smartphone-enabled portable device for rapid on-site visual quantification of sitagliptin. This strategy provides a promising tool for OAD screening and assessment of hypoglycemia etiology.

低血糖是糖尿病的一种严重并发症,需要及时查明其根本原因。与传统的锁与钥匙方法不同,该方法通常需要一个专用的传感器来检测每种分析物,我们构建了一个用于多重口服抗糖尿病药物(OAD)检测的超分子荧光传感器阵列,仅使用两个传感单元:瓜[8]uril (Q[8])作为宿主,以及合成的bpeg - am衍生物和棕榈碱作为荧光探针。引入OADs后,竞争客体位移会产生不同的荧光“指纹”。结合线性判别分析,该阵列对二甲双胍、苯双胍、布双胍、罗格列酮和西格列汀5种oad进行了全面鉴别,检出限低至0.218 μM,对人工尿液和豚鼠血清的分类准确率为100%,对西格列汀和苯双胍的加标回收率为bb0 93%。传感器阵列进一步集成到支持智能手机的便携式设备中,用于快速现场视觉量化西格列汀。该策略为OAD筛查和低血糖病因评估提供了一个有前途的工具。
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引用次数: 0
Validation and extension of a risk calculator to predict mood recurrence in young people with bipolar disorder. 一种预测青少年双相情感障碍情绪复发的风险计算器的验证和扩展。
IF 5.7 2区 医学 Q1 CLINICAL NEUROLOGY Pub Date : 2026-12-01 Epub Date: 2026-08-21 DOI: 10.1016/j.jad.2026.122402
Ava Avolio, John Merranko, Mary Kay Gill, Jessica C Levenson, Tina R Goldstein, Danella Hafeman, Boris Birmaher

Objective: The episodic nature of bipolar disorder (BD) and the substantial variability in mood recurrences between individuals, emphasize the need for accurate prediction tools. The original Course and Outcome of Bipolar Youth (COBY) recurrence risk calculator (RC) estimates threshold recurrence risk, but its performance for subthreshold recurrences has not been established. This study extended the COBY RC to predict both threshold and subthreshold recurrences and evaluated its performance in an independent sample.

Method: Adolescents and young adults with BD-I/II (N = 51; BD-I: 38, BD-II: 13; 14-24 years old) were assessed with standard instruments at intake and during follow-up on average every 6 months for a median of 54 weeks. Model performance for predicting threshold and subthreshold recurrence was evaluated using area under the receiver operating characteristic curves (AUC), with additional assessments of calibration and variable importance.

Results: The model demonstrated good discrimination of any recurrence within the next six months (threshold AUC = 0.72; subthreshold or worse AUC = 0.77). Calibration analyses indicated systematic risk overestimation in the external sample, plausibly reflecting differences in ascertainment (prospective vs. retrospective) and prior remission length. Recalibration greatly improved calibration without reducing discrimination.

Conclusion: The COBY RC showed good discrimination for both threshold and subthreshold recurrences in an independent young adult cohort, extending prior youth and adult validations. These findings support its potential utility for personalized monitoring and early intervention across developmental stages and symptom severity.

目的:双相情感障碍(BD)的发作性和个体之间情绪复发的巨大差异,强调了准确预测工具的必要性。最初的双相青年病程和预后(COBY)复发风险计算器(RC)估计阈值复发风险,但其对亚阈值复发的表现尚未确定。本研究将COBY RC扩展到预测阈值和亚阈值复发,并在独立样本中评估其性能。方法:对患有BD-I/II的青少年和年轻人(N = 51;BD-I: 38, BD-II: 13; 14-24 岁)在入院时和随访期间平均每6 个月进行一次标准仪器评估,中位时间为54 周。使用受试者工作特征曲线(AUC)下的面积评估模型预测阈值和亚阈值递归的性能,并对校准和变量重要性进行额外评估。结果:该模型对未来6个月内的任何复发都有很好的区分(阈值AUC = 0.72;阈下或更差的AUC = 0.77)。校准分析表明外部样本的系统性风险高估,合理地反映了确定(前瞻性与回顾性)和先前缓解时间的差异。重新校准大大改善了校准,而不减少歧视。结论:COBY RC在独立的青年队列中对阈值和阈下复发都有很好的区分,扩展了之前的青年和成人验证。这些发现支持了它在跨发育阶段和症状严重程度的个性化监测和早期干预方面的潜在效用。
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