Talanta Open最新文献_第3页

Determination of mercury in urban dust: direct sample analysis and establishment of a geochemical baseline 城市尘埃中汞的测定：直接样品分析和地球化学基线的建立

IF 3.7 Q1 CHEMISTRY, ANALYTICAL

Talanta Open

Pub Date : 2026-08-01 Epub Date: 2025-11-27 DOI: 10.1016/j.talo.2025.100599

Rafael R. Francisco , Nicole E.J. Santos , Leonardo S.G. Teixeira , Maria Graças A. Korn , Leandro Kolling , Morgana B. Dessuy , Rennan G.O. Araujo

Airborne particulate matter, particularly urban dust, poses health and environmental risks by gathering toxic elements. Among these, mercury (Hg) is notable for its persistence, mobility, and tendency to bioaccumulate, with human-made emissions amplifying its harmful impacts on people and ecosystems. This study examined Hg levels in urban dust samples collected from 11 cities in Bahia, Brazil, using direct solid analysis. Quantification was carried out with an external calibration curve based on certified reference material of fly ash (CRM BCR 176R). The limits of detection and quantification were 0.2 ng g⁻¹ and 0.8 ng g⁻¹, respectively. Method accuracy was validated using CRM of Trace Elements in Multi-Nutrient Fertilizer (NIST 695), which yielded a agreement of 96.5 (± 3.3) %. Precision, expressed as the relative standard deviation, was better than 3.1 % (n = 4). Hg concentrations ranged from 14.8 (± 0.5) ng g⁻¹ to 488 (± 2) ng g⁻¹, with the highest levels observed in Salvador. The average concentration was 236 (± 149) ng g⁻¹, and the median was 262 ng g⁻¹. A geochemical baseline for Hg concentration was established through linear regression with Mn concentrations, supporting the calculation of the enrichment factor (EF) and the geoaccumulation index (Igeo). EF values indicated Hg enrichment in Salvador, Jaguaquara, Camaçari, and Mata de São João. The Igeo values revealed Hg contamination in Salvador, Jaguaquara, Camaçari, Mata de São João, Dias D’Ávila, and Caetité. These results highlight human-made mercury contributions, mainly linked to vehicular traffic and urban growth in these areas, and emphasize the need for continuous environmental monitoring and effective air quality management in cities.

空气中的颗粒物，特别是城市尘埃，聚集有毒元素，对健康和环境构成风险。其中，汞（Hg）因其持久性、流动性和生物积累倾向而引人注目，人为排放放大了其对人类和生态系统的有害影响。这项研究使用直接固体分析方法检测了从巴西巴伊亚州11个城市收集的城市尘埃样本中的汞含量。采用外标曲线法对经认证的粉煤灰标准物质（CRM BCR 176R）进行定量。检测限和定量限分别为0.2 ng g⁻¹和0.8 ng g⁻¹。采用多营养肥中微量元素的CRM （NIST 695）验证了方法的准确性，一致性为96.5（±3.3）%。精密度（以相对标准偏差表示）优于3.1% （n = 4）。汞的浓度从14.8（±0.5）ng g⁻-到488（±2）ng g⁻-不等，其中萨尔瓦多的汞浓度最高。平均浓度为236（±149）ng g⁻¹，中位数为262 ng g⁻¹。通过与Mn浓度的线性回归，建立了Hg浓度的地球化学基线，支持了富集因子（EF）和地球聚集指数（Igeo）的计算。EF值显示在Salvador、Jaguaquara、camaari和Mata de s o jo o等地区Hg富集。Igeo值显示，萨尔瓦多、雅瓜奎拉、卡马帕拉塔里、Mata de s o joo、Dias D ' Ávila和caetit受到汞污染。这些结果强调了人为汞贡献，主要与这些地区的车辆交通和城市增长有关，并强调需要在城市中进行持续的环境监测和有效的空气质量管理。

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引用次数: 0

Rapid RP-HPLC method for simultaneous quantification of fenoterol hydrobromide and ipratropium bromide in breathable and respirable fraction from nebulizers 快速反相高效液相色谱法同时定量雾化器中吸入和呼吸组分中非诺特罗和异丙托溴铵的含量

IF 3.7 Q1 CHEMISTRY, ANALYTICAL

Talanta Open

Pub Date : 2026-08-01 Epub Date: 2026-01-23 DOI: 10.1016/j.talo.2026.100621

C. Chilka, J. Dhalani

The present research study was designed to evaluate the breathable fraction as well as the aerodynamic characteristics of the fenoterol hydrobromide (FEN) and ipratropium bromide (IPR) using a Next Generator Impactor (NGI) and sensitive reverse phase high pressure liquid chromatography. The aerodynamic particle size distribution (APSD) is measured using the NGI, a cascade impactor instrument. The APSD mimics particle deposition in various respiratory tracts after inhalation depending on the aerodynamic diameter of the medication. The samples were analysed using X-bridge C18 (50 mm x 4.6 mm), 3.5 µm column with mobile phase consisting of 80:20 % v/v mixture of heptane-1-sulfonic acid sodium salt and acetonitrile. The analytical technique was validated and the respirable fraction of the nebulized dose was calculated as an extension of the method application. The average respirable mass (≤ 5μm in particle size, penetrate deep into the human lungs) for Fenoterol hydrobromide and Ipratropium bromide were observed 226.596 µg and 112.357 µg, respectively. The average breathable fraction (the portion of aerosol particles inhaled by human) for Fenoterol hydrobromide and Ipratropium bromide were observed 294.901 µg and 146.472 µg, respectively. The analytical technique introduced to evaluate breathable mass and respirable mass of Fenoterol hydrobromide and Ipratropium bromide nebulizer solution produces a reliable result with high sensitivity and reproducibility. The shorter runtime and cost effectiveness enhance the method’s suitability to its routine use in quality control. The presented work enhances the applicability for routine aerodynamic assessment with compliance of regulatory and pharmacopeial guidelines in pharmaceutical industry.

本研究采用下一代冲击器（NGI）和灵敏反相高压液相色谱法对非诺特罗氢溴化剂（FEN）和异丙托溴化剂（IPR）的透气组分和空气动力学特性进行了评价。气动粒径分布（APSD）是用NGI测量的，NGI是一种叶栅撞击仪。APSD根据药物的气动直径模拟吸入后各种呼吸道中的颗粒沉积。样品采用x -bridge C18 （50 mm × 4.6 mm）柱进行分析，柱长3.5µm，流动相为80:20% v/v的庚烷-1-磺酸钠盐和乙腈混合物。验证了分析技术，并计算了雾化剂量的可吸入部分，作为该方法应用的延伸。氢溴化物非诺特罗和异丙托品的平均可吸入质量（粒径≤5μm，可深入人体肺部）分别为226.596µg和112.357µg。氢溴化物非诺特罗和异丙托品的平均呼吸分数（人体吸入的气溶胶颗粒部分）分别为294.901µg和146.472µg。介绍了一种评价非诺特罗和异丙托溴铵雾化器溶液的呼吸质量和呼吸质量的分析方法，结果可靠，灵敏度高，重现性好。该方法运行时间短，成本低，适合于日常质量控制。本文的工作提高了常规空气动力学评估的适用性，并符合制药行业的法规和药典指南。

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引用次数: 0

Highly selective room temperature detection of NO2 enabled by vanadyl oxygen vacancies in novel bilayer V2O5 利用新型双分子层V2O5中钒氧空位实现NO2的高选择性室温检测

IF 4.1 Q1 CHEMISTRY, ANALYTICAL

Talanta Open

Pub Date : 2025-12-01 Epub Date: 2025-06-09 DOI: 10.1016/j.talo.2025.100497

Reshma P R, Arun K Prasad

The primary challenge in developing a gas sensor is achieving high selectivity for the target gas. Most sensor materials respond to multiple gases, making it difficult to discern between various toxic gases. The present study reports the enhancement of the selectivity towards NO₂ gas by introducing vanadyl oxygen (O_I) vacancies in novel 2D V₂O₅. The chemical exfoliation process, which is utilized in the present study to synthesize bilayer nanosheets of V₂O₅, intrinsically generates O_I vacancies. The presence of O-vacancy defects, predominantly O_I vacancies, in the sample is confirmed using X-ray photoelectron spectroscopy, photoluminescence spectroscopy, and Raman spectroscopy. The bilayer 2D V₂O₅ showed a highly selective chemiresistive response towards NO₂ gas at room temperature unlike normally observed higher temperature sensor response by V₂O₅, typically above 100 °C. Along with the effect of high surface to volume ratio, the room temperature gas sensing performance by 2D V₂O₅ stems from the presence of O_I vacancy defects and the consequent increase in the surface activity. In addition, the presence of O_I vacancies leads to highly selective response to NO₂, since NO₂ is a highly oxidizing gas with a pair of lone electrons. Hence, the present study is the first to reveal novel bilayer V₂O₅ sensor with a highly selective response to NO₂ at ambient temperature.

开发气体传感器的主要挑战是实现对目标气体的高选择性。大多数传感器材料对多种气体有反应，因此很难区分各种有毒气体。本文报道了在新型2D V2O5中引入vanadyl氧（OI）空位，提高了对NO2气体的选择性。本研究利用化学剥离工艺合成V2O5双层纳米片，本质上产生OI空位。利用x射线光电子能谱、光致发光能谱和拉曼能谱证实了样品中存在o空位缺陷，主要是OI空位。在室温下，双层二维V2O5对NO2气体表现出高度选择性的化学反应，这与V2O5通常在100°C以上的高温传感器所观察到的反应不同。在高表面体积比的作用下，二维V2O5的室温气敏性能源于OI空位缺陷的存在以及随之而来的表面活性的提高。此外，OI空位的存在导致对NO2的高度选择性反应，因为NO2是一种具有一对孤电子的高氧化性气体。因此，本研究首次揭示了在环境温度下对NO2具有高度选择性响应的新型双层V2O5传感器。

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引用次数: 0

Material matters: evaluating polymer 96-well plates to reduce DAMGO loss in LC-MS/MS-based in vitro μ-opioid structure affinity assay 材料问题：评价聚合物96孔板在LC-MS/MS-based体外μ-阿片结构亲和测定中减少DAMGO损失

IF 3.7 Q1 CHEMISTRY, ANALYTICAL

Talanta Open

Pub Date : 2025-12-01 Epub Date: 2025-08-26 DOI: 10.1016/j.talo.2025.100543

Gaia Alluisetti , Emma Van Impe , Wolfgang Weinmann , Katharina Elisabeth Grafinger

The peptide DAMGO has been used for decades to determine binding affinity at the μ-opioid receptor in numerous types of receptor binding assays utilizing radiolabeled DAMGO, and more recently, liquid chromatography tandem mass spectrometry (LC-MS/MS)-based procedures with unlabeled DAMGO. While previously there have been numerous reports of non-specific adsorption (NSA) at plastic surfaces of various peptides, this study reports for the first time the NSA of DAMGO at polymer 96-well plates used in receptor binding affinity assays. In the present study, seven different types of polypropylene and one modified polystyrene 96-well plates were assessed for DAMGO NSA. The number of solution transfers, two different incubation temperatures and times were evaluated. NSA and DAMGO signal loss were observed for six out of eight tested plates. Best results were obtained with Thermo Scientific (Cat. No 60180-P133) 96-well deep-well plates, for which no significant signal deviation could be observed compared to the blanks even after six sequential transfers. Coated microtiter plates from Greiner Bio-One (Cat. No 655901) showed significant signal enhancement compared to the blanks, which may also cause issues when performing quantitative analysis of results. This study highlights the necessity of testing laboratory equipment for NSA during assay development, since peptide or analyte adsorption may not be immediately apparent, leading to the issue going unnoticed.

几十年来，在利用放射性标记DAMGO的多种受体结合试验中，肽DAMGO已被用于确定μ-阿片受体的结合亲和力，最近，基于液相色谱-串联质谱（LC-MS/MS）的方法使用未标记的DAMGO。虽然之前有许多关于各种多肽在塑料表面非特异性吸附（NSA）的报道，但本研究首次报道了DAMGO在聚合物96孔板上的非特异性吸附（NSA）用于受体结合亲和力测定。在本研究中，对七种不同类型的聚丙烯和一种改性聚苯乙烯96孔板进行了DAMGO NSA的评估。评估了溶液转移次数、两种不同的孵育温度和孵育时间。在8个测试板中有6个观察到NSA和DAMGO信号丢失。使用Thermo Scientific (Cat。没有60180-P133) 96孔深井板，即使经过六次连续转移，也没有观察到与空白相比的显著信号偏差。包被微量滴度板来自Greiner Bio-One （Cat）。No 655901)与空白相比显示出显著的信号增强，这也可能在进行定量分析结果时引起问题。本研究强调了在分析开发过程中测试NSA实验室设备的必要性，因为肽或分析物吸附可能不会立即显现，导致问题被忽视。

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引用次数: 0

Quality-by-design optimized HPLC approach for the therapeutic drug monitoring of isosorbide dinitrate and sildenafil in human plasma samples HPLC法监测人血浆样品中硝酸异山梨酯和西地那非的质量设计优化

IF 3.7 Q1 CHEMISTRY, ANALYTICAL

Talanta Open

Pub Date : 2025-12-01 Epub Date: 2025-08-23 DOI: 10.1016/j.talo.2025.100540

Mohamed A. Momtaz , Hanaa S. El-Desoky , Ahmed Rehab , Fathalla Belal

Isosorbide dinitrate (ISDN) and sildenafil citrate (SIL) are reported to have a potential drug-drug interaction when co-administered clinically. ISDN is indicated as first-line therapy for the long-term management of chronic stable angina. Sildenafil is the first oral treatment for erectile dysfunction. It is contra-indicated in patients who may require organic nitrates, such as ISDN, because this combination may cause a sudden drop in blood pressure by inhibiting the phosphodiesterase type 5 enzyme. Additionally, sildenafil is effective in treating cardiovascular disorders secondary to endothelial dysfunctions. Therefore, a sensitive, simple, and selective HPLC method is urgently needed for their simultaneous determination in plasma samples for monitoring their therapeutic blood concentration levels in emergency cases. The current study introduces the first HPLC approach for their simultaneous estimation in less than 10 minutes. The optimal separation was achieved using Nova-Pack® C18, 4 µm column at room temperature, with a mobile phase consisting of acetonitrile and acetate buffer (5 mM; pH 5, 39:61 % v/v), delivered at a flow rate of 1.1 mL/min. The injection volume was set at 50 µL, and detection was accomplished at 214 nm. The method demonstrated excellent linearity for ISDN(0.01–10.0µg/mL) and SIL (0.025–10.0µg/mL), with LOQ of 0.01 µg/mL and 0.020 µg/mL, respectively. The proposed method was successfully applied to analyze spiked human samples with recovery rates (104.9 and 105.55%) for ISDN and SIL respectively, confirming its suitability for bio-analytical use. Utilizing the quality-by- design (QbD) approach adopting the two-level full factorial design allowed the optimization of the experimental conditions of the proposed method. The method’s greenness was evaluated using Analytical Eco-Scale, Green Analytical Procedure Index (GAPI), and Analytical Greenness (AGREE). Validation of the proposed method was performed in accordance with ICH and US FDA guidelines.

据报道，硝酸异山梨酯（ISDN）和柠檬酸西地那非（SIL）在临床共给药时具有潜在的药物相互作用。ISDN是长期治疗慢性稳定型心绞痛的一线治疗方法。西地那非是治疗勃起功能障碍的第一种口服药物。对于可能需要有机硝酸盐（如ISDN）的患者禁用，因为这种组合可能通过抑制5型磷酸二酯酶导致血压突然下降。此外，西地那非对继发于内皮功能障碍的心血管疾病也有效。因此，迫切需要一种灵敏、简便、选择性强的高效液相色谱（HPLC）方法在血浆样品中同时测定它们，以监测急诊病例的治疗性血药浓度水平。目前的研究介绍了第一种HPLC方法，可以在不到10分钟的时间内进行同时估计。在室温下，采用Nova-Pack®C18, 4µm色谱柱，流动相为乙腈和醋酸缓冲液（5mm, pH 5,39:61 % v/v），流速为1.1 mL/min，达到最佳分离效果。进样量为50µL，检测波长为214 nm。该方法对ISDN（0.01 ~ 10.0µg/mL）和SIL（0.025 ~ 10.0µg/mL）具有良好的线性关系，LOQ分别为0.01µg/mL和0.020µg/mL。该方法成功地用于分析加标后的人类样品，ISDN和SIL的回收率分别为104.9和105.55%，证实了其生物分析应用的适用性。采用双水平全析因设计的质量设计方法，优化了该方法的实验条件。采用分析生态尺度、绿色分析程序指数（GAPI）和分析绿色度（AGREE）对该方法的绿色度进行评价。根据ICH和FDA指南对所建议的方法进行验证。

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引用次数: 0

Fast Zinc determination using commercial screen-printed carbon electrodes modified with bismuth nanostructures via pulsed electrodeposition 用铋纳米结构修饰的丝网印刷碳电极脉冲电沉积法快速测定锌

IF 4.1 Q1 CHEMISTRY, ANALYTICAL

Talanta Open

Pub Date : 2025-12-01 Epub Date: 2025-05-25 DOI: 10.1016/j.talo.2025.100485

A. Rubino , R.B. Queirós

Electroanalytical devices based on screen-printed electrodes (SPEs) present a portable and cost-effective alternative to traditional laboratory analytical methods for detecting metal ions. This study investigates the development and application of commercially available screen-printed carbon electrodes (SPCEs) modified with Bi nanostructures for the detection of Zn in water/wastewater samples. By the application of pulsed electrodeposition (PED), Bi nanostructures are effectively anchored to the carbon-based working electrode of the screen-printed device (Bi-nano/SPCEs). The performance of those modified electrodes in Zn sensing was assessed using differential pulse voltammetry (DPV) in “drop-on-a-chip” configuration. Evaluations conducted with both standard solutions and real wastewater samples reveal that the electroanalytical device based on Bi-nano modified SPCEs exhibit promising sensitivity (1.21 μA cm^-2 μg/L^-1; 0.018 μA cm^-2 μM^-1) and repeatability (RSD < 10 %) with LOD and LOQ of 4.86 and 12.21 μg/L Zn(II), respectively (i.e., 0.075 and 0.188 μM), contextually guaranteeing rapid analysis (≤ 60 s) and high versatility in real samples analysis.

基于丝网印刷电极（spe）的电分析装置为传统的实验室分析方法检测金属离子提供了一种便携且经济高效的替代方法。本研究研究了商业上可用的铋纳米结构修饰的丝网印刷碳电极（spce）的开发和应用，用于检测水/废水样品中的锌。通过脉冲电沉积（PED）的应用，铋纳米结构有效地固定在丝网印刷器件（Bi-nano/ spce）的碳基工作电极上。采用差分脉冲伏安法（DPV）对这些修饰电极在锌传感中的性能进行了评估。对标准溶液和实际废水样品的评价表明，基于双纳米修饰的spce的电分析装置具有良好的灵敏度(1.21 μA cm-2 μg/L-1；0.018 μA cm-2 μM-1)，重复性(RSD <；10%)， LOD和LOQ分别为4.86和12.21 μg/L Zn(II)（即0.075和0.188 μM），保证了快速分析（≤60 s）和在实际样品分析中的高通用性。

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引用次数: 0

Greenness assessment profile of experimentally designed chromatographic method for the simultaneous analysis of ofloxacin and racecadotril in the presence of racecadotril impurities 实验设计的同时分析氧氟沙星和消旋卡多曲杂质时消旋卡多曲的色谱方法的绿度评价曲线

IF 4.1 Q1 CHEMISTRY, ANALYTICAL

Talanta Open

Pub Date : 2025-12-01 Epub Date: 2025-05-25 DOI: 10.1016/j.talo.2025.100487

Nada Nabil , Ghada A. Sedik , Hala E. Zaazaa , Sally S. El-Mosallamy

Experimental design beats the conventional one variable at a time (OVAT) to improve the chromatographic separations with lowest consumption of resources and maximum acceptable results for the separated peaks. Experimental design using face-centred composite design was utilized during method optimization to obtain the highest level of resolution with the fewest number of experimental trials for the determination of ofloxacin (OFLU) and racecadotril (RAC) in the presence of RAC impurities. The two independent variables were the pH of solvent A (0.10 % triethyl amine (pH 7 by orthophosphoric acid)) and its percentage in the mobile phase. RAC combined with OFLU is mainly used to treat diarrhoea in children. RAC has several impurities; among them is racecadotril impurity A (RAC-A) which was reported as a toxic impurity of RAC, additionally, RAC can be oxidized to racecadotril oxidative degradation product (RAC-Deg). Chromatographic separation was accomplished using Inertsil ODS column (150 mm, 4.6 mm, 5 μm) and isocratic elution using 0.10 % triethyl amine (pH 7 by orthophosphoric acid) (solvent A): methanol (solvent B) (20:80 v/v) as a mobile phase at a flow rate of 1.00 mL/min and UV detection at 240 nm. Sharp, well-resolved peaks for RAC-Deg, RAC-A, OFLU and RAC were obtained with retention times of 1.70, 2.06, 7.11, and 8.98 min, respectively. Method validation was carried out according to ICH guidelines and linearity was achieved in the ranges of 2.00–20.00 and 3.00–25.00 µg/mL for RAC and OFLU, respectively. The ecological impact of the presented technique was assessed utilizing the Analytical GREEnness Metric Approach and Software (AGREE) as an evaluation tool. The new approach shown high accuracy, selectivity, precision, and environmental friendliness in determining the mentioned drugs in pharmaceutical formulations. It is suitable for routine analysis of the drugs in quality control laboratories.

实验设计优于传统的一次一变量（OVAT），以最低的资源消耗和最大的可接受的分离峰结果提高色谱分离。在方法优化过程中，采用面心复合设计，以最少的实验次数获得氧氟沙星（OFLU）和消旋卡多曲（RAC）在RAC杂质存在下的最高分辨率。两个自变量是溶剂A（0.10%三乙胺（正磷酸溶液pH为7））的pH及其在流动相中的百分比。RAC联合OFLU主要用于治疗儿童腹泻。RAC有几种杂质；其中外消旋卡多崔杂质A （raca）被报道为RAC的有毒杂质，RAC可被氧化为外消旋卡多崔氧化降解产物（RAC- deg）。色谱分离采用Inertsil ODS色谱柱（150 mm, 4.6 mm, 5 μm），流动相为0.10%三乙基胺（pH = 7，正磷酸）（溶剂A）：甲醇（溶剂B）（20:80 v/v），流速为1.00 mL/min，紫外检测波长为240 nm。在保留时间分别为1.70 min、2.06 min、7.11 min和8.98 min时，获得了清晰、清晰的RAC- deg、RAC- a、OFLU和RAC峰。根据ICH指南进行方法验证，RAC和OFLU分别在2.00-20.00和3.00-25.00µg/mL范围内呈线性关系。利用分析绿色度量方法和软件（AGREE）作为评估工具，评估了所提出技术的生态影响。该方法测定制剂中上述药物具有较高的准确度、选择性、精密度和环境友好性。适用于质控实验室的药物常规分析。

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引用次数: 0

Impact of atmospheric pressure DBD plasma treatment on the biodegradability, hydrophilicity, and mechanical properties of PVA/PEG/Chitosan/HA nanofibers for bone tissue engineering 常压DBD等离子体处理对骨组织工程用PVA/PEG/壳聚糖/HA纳米纤维的生物降解性、亲水性和力学性能的影响

IF 4.1 Q1 CHEMISTRY, ANALYTICAL

Talanta Open

Pub Date : 2025-12-01 Epub Date: 2025-06-18 DOI: 10.1016/j.talo.2025.100501

Hartatiek , M.I. Wuriantika , Yudyanto , A. Taufiq , M. Diantoro , Y. Yusuf , M. Taufik , J.F. Fatriansyah

The effectiveness of scaffolds in supporting bone tissue regeneration is highly dependent on surface modification. Atmospheric pressure dielectric barrier (DBD) plasma treatment offers a practical method that offers simplicity, time efficiency, cost effectiveness, and reliable results. In this study, nanofiber scaffolds composed of PVA, PEG, chitosan, and hydroxyapatite were fabricated using electrospinning and treated with DBD plasma at varying distances. Optical emission spectroscopy (OES) confirmed the presence of reactive species such as OH radicals, nitrogen (N₂), and nitrogen ions (N₂⁺). These species caused changes in surface morphology, including an increase in fiber diameter. These surface morphological modifications were associated with mechanical properties and hydrophilicity. Furthermore, scaffolds treated at a distance of 1.5 mm showed a degradation rate of up to 70 % after three weeks. The results highlight the potential of DBD plasma treatment to optimize the performance of bone tissue engineering scaffolds.

支架支持骨组织再生的有效性高度依赖于表面修饰。大气压介质阻挡（DBD）等离子体处理提供了一种实用的方法，具有简单、省时、成本效益和可靠的结果。在本研究中，采用静电纺丝法制备了聚乙烯醇、聚乙二醇、壳聚糖和羟基磷灰石组成的纳米纤维支架，并用DBD等离子体在不同距离上处理。光学发射光谱（OES）证实了OH自由基、氮（N2）和氮离子（N2+）等活性物质的存在。这些物种引起了表面形态的变化，包括纤维直径的增加。这些表面形态的改变与机械性能和亲水性有关。此外，在1.5 mm距离处处理的支架在三周后的降解率高达70%。结果表明，DBD等离子体处理在优化骨组织工程支架性能方面具有潜力。

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引用次数: 0

DART-MS approaches for metabolomics-based authentication: Challenges in determining the geographical origin of strawberries (Fragaria × ananassa) 基于代谢组学认证的DART-MS方法：确定草莓（Fragaria x ananassa）地理来源的挑战

IF 4.1 Q1 CHEMISTRY, ANALYTICAL

Talanta Open

Pub Date : 2025-12-01 Epub Date: 2025-06-05 DOI: 10.1016/j.talo.2025.100496

Felix Schmauder, Johannes Brockelt, Kim Brettschneider, Stephan Seifert, Marina Creydt, Markus Fischer

Metabolomics-based approaches are a widely used method for determining the origin of food. The aim of this study was to investigate the suitability of metabolomics analysis using direct analysis in real time mass spectrometry (DART-MS) to ascertain the origin of strawberries. In addition, optimization possibilities and limitations were identified by testing different extraction methods, two different sample delivery systems (Quick-Strip and Dip-it approaches), and running some of the measurements in both positive and negative ionization mode proved to be the most suitable. A total of 207 strawberry samples from six countries were measured and classified using random forest with this optimized approach. The classification accuracy was 63.8%, which shows certain limitations of the approach presented. However, another aim of this study was to protect German strawberries from adulteration with foreign strawberries, and this was achieved with a promising accuracy of 90.3%.

基于代谢组学的方法是一种广泛使用的确定食物来源的方法。本研究的目的是探讨利用实时质谱（DART-MS）直接分析代谢组学分析确定草莓来源的适用性。此外，通过测试不同的提取方法，两种不同的样品输送系统（快速条带法和浸渍法），以及在正、负电离模式下运行的一些测量结果，确定了优化的可能性和局限性。采用随机森林方法对来自6个国家的207份草莓样品进行了测量和分类。分类准确率为63.8%，表明本文方法存在一定的局限性。然而，本研究的另一个目的是保护德国草莓不受外国草莓的掺假，这一目标的准确性达到了90.3%。

引用次数: 0

Integrating full scan and data-dependent acquisition (IFSDDA): advancing quantitative precision and metabolic coverage in untargeted metabolomics for discovering anti-methicillin-resistant Staphylococcus aureus (MRSA) compounds 整合全扫描和数据依赖采集（IFSDDA）：推进非靶向代谢组学的定量精度和代谢覆盖，以发现抗甲氧西林耐药金黄色葡萄球菌（MRSA）化合物

IF 3.7 Q1 CHEMISTRY, ANALYTICAL

Talanta Open

Pub Date : 2025-12-01 Epub Date: 2025-11-19 DOI: 10.1016/j.talo.2025.100597

Wun-Yu Lin , Han-Ju Chien , Yi-Feng Zheng , Cheng-Yu Kuo , Wei-Chen Wang , Nien-Jen Hu , Yu-Sheng Lin , Chien-Chen Lai

In untargeted metabolomics, high-resolution liquid chromatography–tandem mass spectrometry (HR-LC-MS/MS) is widely applied to achieve broad metabolite coverage. However, a single acquisition mode often presents trade-offs between coverage and quantification. To overcome this, we propose a dual-injection strategy combining full scan (FS) and data-dependent acquisition (DDA) modes in consecutive runs of the same sample. The resulting datasets are processed by an in-house developed algorithm that integrates feature lists from both FS and DDA, enhancing both the number of detected features and the quantification precision. This integrated approach, named Integrated Feature Set from DDA and FS (IFSDDA), improves peak picking robustness and captures features otherwise missed by conventional methods. A total of 32,830 metabolic features were detected using IFSDDA, markedly surpassing those detected by traditional approaches. Quantitative precision was ensured through QC-based support vector regression (SVR) normalization, with 94.2% of features achieving a relative standard deviation (RSD) below 20%. For metabolite annotation, 2845 features were structurally annotated, indicating superior annotation efficiency. Notably, the IFSDDA strategy facilitated the identification of six anti-MRSA metabolites from Pseudomonas aeruginosa, including 1-carboxamide (PCN), pyocyanin (PYO), 1-hydroxyphenazine (1-HP), PQS, and 2-heptyl-4-hydroxyquinoline N-oxide (HQNO). These metabolites were subsequently validated through multiple reaction monitoring (MRM) and biological activity assays. Overall, IFSDDA effectively addresses key limitations in untargeted metabolomics by enhancing data quality, reproducibility, and metabolite annotation. This strategy represents a significant advancement for comprehensive metabolic profiling and holds strong potential for biomarker discovery in complex biological systems.

在非靶向代谢组学中，高分辨率液相色谱-串联质谱（HR-LC-MS/MS）被广泛应用于实现广泛的代谢物覆盖。然而，单一的获取模式通常会在覆盖率和量化之间进行权衡。为了克服这个问题，我们提出了一种双注入策略，结合全扫描（FS）和数据依赖采集（DDA）模式，在同一样品的连续运行中。结果数据集由内部开发的算法处理，该算法集成了FS和DDA的特征列表，提高了检测到的特征数量和量化精度。这种集成方法被称为来自DDA和FS的集成特征集（IFSDDA），提高了峰值选取的鲁棒性，并捕获了传统方法无法捕获的特征。利用IFSDDA共检测到32,830个代谢特征，明显超过传统方法。通过基于qc的支持向量回归（SVR）归一化，保证了定量精度，94.2%的特征实现了相对标准偏差（RSD）低于20%。对于代谢物的注释，2845个特征被结构注释，表明了较高的注释效率。值得注意的是，IFSDDA策略促进了铜绿假单胞菌中6种抗mrsa代谢物的鉴定，包括1-羧酰胺（PCN）、pyocyanin （PYO）、1-羟基吩嗪（1-HP）、PQS和2-庚基-4-羟基喹啉n -氧化物（HQNO）。这些代谢物随后通过多重反应监测（MRM）和生物活性测定进行验证。总体而言，IFSDDA通过提高数据质量、可重复性和代谢物注释，有效地解决了非靶向代谢组学的关键限制。该策略代表了综合代谢分析的重大进步，并在复杂生物系统中发现生物标志物具有强大的潜力。

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