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Intramolecularly Labeled Reference Standards of Sulfamethoxazole for Fragment-Specific Isotope Analysis by Electrospray Ionization Orbitrap Mass Spectrometry. 电喷雾电离轨道阱质谱法分析磺胺甲恶唑片段特异性同位素的分子内标记标准品。
IF 2.7 2区 化学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2026-02-06 DOI: 10.1021/jasms.5c00402
Aoife Canavan, Christopher Dirr, Martin Elsner

The widespread presence of pharmaceuticals, including antibiotics, in our aquatic environment raises important societal concerns. When studying their environmental fate, stable isotope analysis of nitrogen and carbon at natural abundance offers unique insight into source fingerprinting and degradation-associated kinetic isotope effects. Here, we synthesized compound-specific reference standards to enable electrospray ionization (ESI) Orbitrap mass spectrometry (MS) for fragment-specific carbon and nitrogen isotope analysis (Δδ13C and Δδ15N) of sulfamethoxazole (SMX), a most frequently detected antibiotic. Fragment-specific isotope analysis relied on fragmentation of SMX ions in the collision cell, resulting in two fragment ions representing the aniline part (m/z = 92, F92) and the 3-amino-5-methylisoxazole ring (m/z = 99, F99) of SMX. Reference materials were prepared (i) through total synthesis of SMX from labeled precursors that resulted in specific positions labeled with 13C and 15N, (ii) followed by the mixing of labeled SMX with SMX at natural abundance. The bulk isotope values of these in-house standards were determined by elemental analysis isotope ratio mass spectrometry and used for calibration of the ESI-Orbitrap-MS method. Injecting standards directly into the ESI-Orbitrap-MS resulted in 95% confidence intervals (CIs) of 0.7‰ and 3.4‰ for Δδ13C and Δδ15N in F92, respectively, and 1.3‰ and 2.9‰ for Δδ13C and Δδ15N in F99, for quintuplicate measurements of standards. A proof-of-principle demonstration shows that this approach could indeed successfully quantify changes in fragment-specific isotopic signatures, Δδ13C and Δδ15N, during degradation of SMX.

在我们的水生环境中广泛存在的药物,包括抗生素,引起了重要的社会关注。在研究它们的环境命运时,对天然丰度的氮和碳的稳定同位素分析提供了对来源指纹和降解相关的动力学同位素效应的独特见解。在这里,我们合成了化合物特异性参考标准,使电喷雾电离(ESI) Orbitrap质谱(MS)能够对磺胺甲恶唑(SMX)进行片段特异性碳和氮同位素分析(Δδ13C和Δδ15N),这是一种最常检测到的抗生素。碎片特异性同位素分析依赖于碰撞细胞中SMX离子的碎片化,产生两个碎片离子,分别代表SMX的苯胺部分(m/z = 92, F92)和3-氨基-5-甲基异恶唑环(m/z = 99, F99)。标准物质的制备(i)通过标记前体的SMX全合成,得到带有13C和15N标记的特定位置,(ii)然后将标记的SMX与自然丰度的SMX混合。采用元素分析同位素比值质谱法测定了样品的体积同位素值,并用于ESI-Orbitrap-MS法的标定。在ESI-Orbitrap-MS中直接注入标准品,F92中Δδ13C和Δδ15N的95%置信区间分别为0.7‰和3.4‰,F99中Δδ13C和Δδ15N的95%置信区间分别为1.3‰和2.9‰。一个原理证明演示表明,这种方法确实可以成功地量化SMX降解过程中片段特异性同位素特征(Δδ13C和Δδ15N)的变化。
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引用次数: 0
Green RP-HPLC method for estimation of trigonelline: AQbD based development, validation, and application to nanoformulations. 格林反相高效液相色谱法测定葫芦巴碱:基于AQbD的开发、验证和纳米制剂的应用。
IF 4.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-06 DOI: 10.1186/s13065-026-01734-z
Pavithra Kothapalli, Manimaran Vasanthan

Trigonelline is an alkaloidal plant derived bioactive compound reported for its various pharmacological activities. Recent advances in the utilization of this compound in drug development have highlighted the importance of establishing a reproducible and efficient analytical method for estimating trigonelline (TRG) in both its pure form and formulated nano systems. Current research aims to develop and validate a green RP-HPLC method for estimating TRG by integrating Analytical Quality by Design (AQbD) with the principles of Green Analytical Chemistry. Optimization of the chromatographic conditions was done by employing a rotatable central composite design with amount of mobile phase and its flow rate selected as critical variables and tailing factor (Tf), retention time (Rt) and theoretical plates as the responses. Optimal separation was achieved using ethanol and water (40:60, v/v) on a Phenomenex C18 (250 × 4.6 mm, 5 μm) column at 264 nm, yielding a sharp, symmetric peak at 5.60 min at a flow rate of 1.5 mL/min. Developed method exhibited excellent linearity over the range of 5-15 µg/mL (r² = 0.9986) with %RSD less than 2% and LOD & LOQ were found to be 0.628 µg/mL and 1.90 µg/mL, respectively. Forced degradation studies showed 12% degradation in acidic media and 9% in alkaline media after exposure of 8 h indicating moderate susceptibility to hydrolysis. Further, the validation was performed for the developed method according to ICH Q2(R1) guidelines. A comprehensive greenness assessment was performed using AES, GAPI, AGREE, AMGS, and AGSA tools, confirming that the newly developed method demonstrates superior greenness and its suitability for sustainable routine analysis compared to existing methods.

葫芦巴碱是一种生物碱植物衍生的生物活性化合物,具有多种药理活性。该化合物在药物开发中的应用的最新进展强调了建立一种可重复和有效的分析方法来估计纯形式和配方纳米体系中的葫芦巴碱(TRG)的重要性。本研究旨在将绿色分析化学原理与设计分析质量(AQbD)相结合,建立并验证绿色RP-HPLC法估算TRG的方法。以流动相量和流动相流速为关键变量,以尾尾因子(Tf)、保留时间(Rt)和理论极板为响应参数,采用可旋转中心组合设计优化色谱条件。在Phenomenex C18 (250 × 4.6 mm, 5 μm)柱(264 nm)上,以乙醇和水(40:60,v/v)分离获得最佳分离效果,在流速为1.5 mL/min时,在5.60 min得到一个尖锐的对称峰。该方法在5 ~ 15µg/mL范围内线性良好(r²= 0.9986),%RSD < 2%,检出限和定量限分别为0.628µg/mL和1.90µg/mL。强制降解研究表明,暴露8小时后,在酸性介质中降解12%,在碱性介质中降解9%,表明对水解的敏感性中等。此外,根据ICH Q2(R1)指南对所开发的方法进行验证。利用AES、GAPI、AGREE、AMGS和AGSA工具进行了全面的绿色度评估,证实了新开发的方法与现有方法相比具有更高的绿色度和可持续性常规分析的适用性。
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引用次数: 0
Retraction Note: Acute toxicity and repellent activity of the Origanum scabrum Boiss. & Heldr. (Lamiaceae) essential oil against four mosquito vectors of public health importance and its biosafety on non-target aquatic organisms. 附注:牛头草的急性毒性和驱避活性。& Heldr。(Lamiaceae)精油对四种公共卫生重要媒介蚊的作用及其对非目标水生生物的生物安全性。
IF 5.8 3区 环境科学与生态学 0 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-06 DOI: 10.1007/s11356-026-37482-9
Marimuthu Govindarajan, Shine Kadaikunnan, Naiyf S Alharbi, Giovanni Benelli
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引用次数: 0
Anastellin: A Fibronectin-Derived Peptide Targeting the Tumor Microenvironment Through ECM Modulation. Anastellin:一种纤维连接蛋白衍生的肽,通过ECM调节靶向肿瘤微环境。
IF 2.5 4区 生物学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-02-06 DOI: 10.1007/s12013-026-02012-4
Mohammad Mehdi Akbarin, Zahra Farjami, Hugo Ramírez Álvarez
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引用次数: 0
Neuroinflammation and RAMP1: the Role of the Peripheral and Central Nervous System in Tumor Progression. 神经炎症和RAMP1:外周和中枢神经系统在肿瘤进展中的作用。
IF 2.5 4区 生物学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-02-06 DOI: 10.1007/s12013-026-02009-z
Pedro Daniel Moumesso Cavalcante, Jonas Lucas Dias da Silva, Laryssa Rosy Santos Oliveira, Rikelly Barbosa da Silva, Juliana Acioli Costa Lima, Guilherme de Brito Souza, Davi Ramon da Silva Santos, Júllia Victória Nascimento de Abrantes, Mateus Lima de Farias, Sofia Amancio de Almeida Oliveira, João Paulo Emiliano da Silva, Rafael de Oliveira Calaça Farias, Leonardo Prudêncio Coutinho de Almeida, Salomão Belfort Sparapan de Melo, Sandra Taveiros de Araújo, Raimundo Rodrigues de França-Júnior, José Emerson Xavier, Carlos Alberto de Carvalho Fraga
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引用次数: 0
Diosmin-Hesperidin Combination Improves Post-Ischemic Cardiac Recovery Via AKT/mTORC1 Modulation in Doxorubicin-Treated Rats. 薯蓣皂苷-橙皮苷联合用药通过AKT/mTORC1调节改善阿霉素治疗大鼠缺血后心脏恢复
IF 2.5 4区 生物学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-02-06 DOI: 10.1007/s12013-026-02000-8
Mahvash Hesari, Dareuosh Shackebaei, Pantea Mohammadi, Seyed Shahram Miraghaee, Kheirollah Yari, Zahra Minoosh Siavosh Haghighi, Mohammad Bagher Majnooni, Fatemeh Yarmohammadi
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引用次数: 0
Regarding Emitter Positioning for Nanoflow Electrospray Ionization with a High-Capacity Inlet Capillary. 基于大容量进口毛细管的纳米流电喷雾电离发射器定位研究。
IF 2.7 2区 化学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2026-02-06 DOI: 10.1021/jasms.5c00441
Noah M Lancaster, Scott T Quarmby, Katherine A Overmyer, Joshua J Coon

Nanoflow electrospray ionization is commonly used for proteomics due to its high sensitivity. Signal intensity, however, is dependent on optimal emitter positioning relative to the mass spectrometer inlet. Here, we characterize the effect of varied emitter positions on peptide signal intensity in all three dimensions using emitters and flows consistent with standard proteomic analyses. We observe improved signal robustness to x/y variations at increasing z distances and demonstrate that positioning within 1 to 2 mm of the optimal location will maintain consistent signal. Signal intensity behavior is consistent across the m/z range, suggesting emitter positions do not need to be fine-tuned for different analytes for proteomics analyses. These results provide insight for proteomics researchers using nanoflow LC-MS/MS.

纳米流电喷雾因其高灵敏度而被广泛用于蛋白质组学研究。然而,信号强度取决于相对于质谱仪入口的最佳发射器定位。在这里,我们使用与标准蛋白质组学分析一致的发射器和流,在所有三个维度上表征不同发射器位置对肽信号强度的影响。我们观察到,随着z距离的增加,信号对x/y变化的鲁棒性有所提高,并证明在最佳位置的1到2毫米范围内定位将保持信号的一致性。信号强度行为在m/z范围内是一致的,这表明发射器位置不需要针对蛋白质组学分析的不同分析物进行微调。这些结果为使用纳米流LC-MS/MS的蛋白质组学研究人员提供了见解。
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引用次数: 0
Spatiotemporal analysis of light pollution in Antalya, Turkey, and its relationship with urban air quality. 土耳其安塔利亚光污染时空分析及其与城市空气质量的关系
IF 3 4区 环境科学与生态学 Q3 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-06 DOI: 10.1007/s10661-026-15050-5
Farhan Rafique Shah, Çiğdem Moral

Urban expansion escalates both light and air pollution, posing significant threats to environmental health and energy sustainability. This study presents a spatiotemporal analysis of light pollution in Antalya, Turkey, and explores its relationship to urban air quality. Using ground-based measurements from a sky quality meter (SQM), clouds masks from EUMETSAT, and satellite data from NASA's Black Marble, a comprehensive analysis of night sky brightness and its long-term trends was conducted from 2012 to 2023. Analysis of annual composites identified specific development projects, such as a new hospital and airport expansion, as major sources of increased brightness, with total radiance consistently rising across all districts, reflecting urban sprawl. The relationship between particulate matter (PM2.5) and satellite-observed radiance was examined using data from four ground-based air quality monitoring stations. Despite filtering for clear-sky conditions and moonlight, no statistically significant correlation was found on monthly or daily timescales. This null result likely reflects the decoupling between surface-based PM2.5 measurements and the vertically integrated aerosol column influencing satellite-observed radiance. Upward radiant flux was also quantified to estimate a lower bound in terms of electric cost. Our findings highlight the impact of rapid urbanization on light pollution and provide a baseline for developing targeted mitigation strategies, while indicating that the interplay with air quality in this region is complex.

城市扩张加剧了光和空气污染,对环境健康和能源可持续性构成重大威胁。本研究对土耳其安塔利亚的光污染进行了时空分析,并探讨了其与城市空气质量的关系。利用天空质量计(SQM)的地面测量数据、欧洲气象卫星组织(EUMETSAT)的云掩膜和美国宇航局(NASA)的“黑色大理石”卫星数据,对2012年至2023年的夜空亮度及其长期趋势进行了全面分析。对年度复合材料的分析表明,具体的开发项目,如新医院和机场扩建,是增加亮度的主要来源,所有地区的总辐射持续上升,反映了城市的蔓延。利用四个地面空气质量监测站的数据,研究了颗粒物(PM2.5)与卫星观测到的辐射之间的关系。尽管过滤了晴空条件和月光,但在月或日的时间尺度上没有发现统计学上显著的相关性。这一无效结果可能反映了基于地面的PM2.5测量值与影响卫星观测辐射的垂直综合气溶胶柱之间的不耦合。向上辐射通量也被量化,以估计电力成本的下限。我们的研究结果强调了快速城市化对光污染的影响,并为制定有针对性的缓解策略提供了基线,同时表明该地区光污染与空气质量的相互作用是复杂的。
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引用次数: 0
dsDNA-Induced AIM2 Pyroptosis in Glomerular Endothelial Cells Aggravate Lupus Nephritis. ddna诱导肾小球内皮细胞AIM2凋亡加重狼疮性肾炎。
IF 2.5 4区 生物学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2026-02-06 DOI: 10.1007/s12013-026-02001-7
Jialin Zhang, Shu Lv Quan, Rirong Huang, Jinyan Zeng, Bin Yang, Pan Liao, Xing Li
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引用次数: 0
Metal-Organic Frameworks: Multifunctional Materials for High-Performance Zn-Halogen Batteries. 金属有机框架:高性能锌卤素电池的多功能材料。
IF 36.3 1区 材料科学 Q1 Engineering Pub Date : 2026-02-06 DOI: 10.1007/s40820-026-02068-0
Ayesha Arif, Xinrui Yan, Adil Mansoor, Tazeen Fatima, Tayyaba Najam, Hassan Akhtar, Muhammad Sufyan Javed, Manzar Sohail, Muhammad Altaf Nazir, Jiantao Zai, Xiaowei Yang, Syed Shoaib Ahmad Shah

Aqueous zinc batteries are gaining attention as promising alternatives to Li-ion systems, owing to the increased need for safe and cost-effective energy storage. Aqueous Zn-halogen batteries are particularly important because of their low cost and the abundance of precursors. However, critical challenges, such as the shuttle effect, sluggish redox kinetics, and dendrite growth, impede their practical development. Metal-organic frameworks (MOFs) with high porosity, ease of functionalization, and stability offer a multifunctional approach to overcome these limitations. This review systematically examines the advancements in MOF-based Zn-halogen batteries, focusing on their roles in different components of the battery, including the cathode, anode, and separator. This review also highlights the key design strategies for MOF-based materials and then examines the structure-performance relationships through advanced characterization and computational insights. The remaining challenges and future directions are also outlined. Overall, this review provides a roadmap for developing advanced MOF-based Zn-halogen batteries that combine high energy density and long-term durability for next-generation energy storage applications.

由于对安全和具有成本效益的能量存储的需求不断增加,水锌电池作为锂离子系统的有前途的替代品正受到关注。含水卤化锌电池因其低成本和丰富的前体而尤为重要。然而,诸如穿梭效应、缓慢的氧化还原动力学和枝晶生长等关键挑战阻碍了它们的实际发展。金属有机骨架(mof)具有高孔隙率、易于功能化和稳定性,为克服这些限制提供了一种多功能方法。本文系统地研究了基于mof的锌卤素电池的进展,重点介绍了它们在电池的不同组件中的作用,包括阴极、阳极和分离器。这篇综述还强调了mof基材料的关键设计策略,然后通过高级表征和计算见解检查了结构-性能关系。并概述了剩余的挑战和未来的方向。总的来说,这篇综述为开发先进的mof基锌卤素电池提供了一个路线图,该电池结合了高能量密度和长期耐用性,可用于下一代储能应用。
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引用次数: 0
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