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Metabolic labeling of RNA using ribonucleoside analogs enables the evaluation of RNA synthesis and degradation rates. 利用核糖核苷类似物对RNA进行代谢标记,可以评估RNA的合成和降解率。
IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-19 DOI: 10.1007/s44211-024-00704-6
Hidenori Tani

Long noncoding RNAs (lncRNAs) are transcripts exceeding 200 nucleotides that do not encode proteins. Despite lacking protein-coding capabilities, lncRNAs play crucial roles in cellular processes, including gene-expression modulation and structural maintenance. The study of lncRNAs has evolved significantly since 2009, with advancements in analytical methodologies providing new insights into their functions and dynamics. Key developments include BRIC-Seq, SLAM-Seq, TUC-Seq, TimeLapse-seq, and Dyrec-Seq. These methodologies have enabled researchers to investigate lncRNA behavior under various conditions, including cellular stress responses and complex biologic systems. Future challenges include developing comprehensive techniques for identifying lncRNA-interacting proteins and advancing in vivo methodologies using model organisms. As the field progresses, integrating these technologies will enhance our understanding of lncRNA biology, potentially leading to novel therapeutic strategies and deeper insights into gene-regulation mechanisms.

长链非编码rna (lncRNAs)是超过200个核苷酸的转录本,不编码蛋白质。尽管缺乏蛋白质编码能力,lncrna在细胞过程中发挥着至关重要的作用,包括基因表达调节和结构维持。自2009年以来,lncrna的研究取得了重大进展,分析方法的进步为其功能和动力学提供了新的见解。主要开发项目包括BRIC-Seq、SLAM-Seq、tac -seq、TimeLapse-seq和dyre -seq。这些方法使研究人员能够研究lncRNA在各种条件下的行为,包括细胞应激反应和复杂的生物系统。未来的挑战包括开发鉴定lncrna相互作用蛋白的综合技术,以及使用模式生物推进体内方法。随着该领域的发展,整合这些技术将增强我们对lncRNA生物学的理解,可能导致新的治疗策略和对基因调控机制的更深入了解。
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引用次数: 0
Bromine isotope splitting in vibrational spectra of bromoform by time-resolved transient transmission spectroscopy 时间分辨瞬态透射光谱法研究溴仿振动光谱中溴同位素的分裂。
IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-16 DOI: 10.1007/s44211-024-00702-8
W. Gadomski, K. Polok, K. Skała, B. Ratajska-Gadomska

The femtosecond pump–probe technique, i.e. the transient transmission spectroscopy, has been used for the first time, to detect the vibrational spectra of symmetric fundamentals ν2 and ν3 in bromoform and chloroform. The spectra were obtained by fast Fourier transforms of the time domain signals. For both, CHCl3 and CHBr3, there are four isotopologues contributing to the spectra, due to the existence of two stable isotopes; chlorine, 35Cl and 37Cl, and bromine, 79Br and 81Br, respectively. While for chloroform the isotope splitting of the ν3 spectral band can be observed even in the spontaneous Raman scattering, for bromoform it is not detectable. Herewith we show that using the time domain spectroscopy and the windowed Fourier transform method we can provide the high resolution spectrum of the ν3 fundamental in bromoform, in which the contributions of all isotopologues are well distinguishable. The data have been collected for few volume concentrations of the studied liquids diluted in the neutral solvent CCl4. It is shown that the intensity pattern of the spectra evolves with decreasing concentration and for the ν3 fundamental it reaches the natural abundance pattern at a very high dilution. The simple theoretical model, which treats the molecules in a liquid as interacting oscillators, allows us to explain the dependence of the shape of the spectrum on the strength of the intermolecular interactions.

Graphical abstract

飞秒泵浦探针技术,即瞬态透射光谱技术,首次用于检测溴仿和氯仿中对称基本原理 ν2 和 ν3 的振动光谱。光谱是通过对时域信号进行快速傅里叶变换获得的。对于 CHCl3 和 CHBr3,由于存在两种稳定的同位素(氯(35Cl 和 37Cl)和溴(79Br 和 81Br)),因此光谱中有四种同位素。氯仿的 ν3 光谱带的同位素分裂甚至可以在自发拉曼散射中观察到,而溴仿则检测不到。在此,我们展示了利用时域光谱和窗口傅立叶变换方法,我们可以提供溴仿中 ν3 基本谱段的高分辨率光谱,其中所有同位素的贡献都能很好地区分。这些数据是针对在中性溶剂 CCl4 中稀释的几种体积浓度的研究液体收集的。结果表明,光谱的强度模式会随着浓度的降低而变化,对于 ν3 基本粒子来说,在很高的稀释度下就会达到自然丰度模式。这个简单的理论模型将液体中的分子视为相互作用的振子,使我们能够解释光谱形状与分子间相互作用强度的关系。
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引用次数: 0
Hyper-Raman spectroscopy of non-proteinogenic amino acids 非蛋白质氨基酸的超拉曼光谱。
IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-13 DOI: 10.1007/s44211-024-00698-1
Tsung-Han Liu, Masanari Okuno

We report 532-nm and 1064-nm excited hyper-Raman (HR) spectra of representative non-proteinogenic amino acids, including α-, β-, and γ-amino acids. Different from the common 20 proteinogenic amino acids, natural non-proteinogenic amino acids cannot be incorporated into proteins during translation, while they are indispensable as intermediates in many processes like biosynthesis and neurotransmitters. In 532-nm excited HR spectra, the COO symmetric stretching bands are commonly intense, and the NH3+ bands are clearly observable. In addition, based on the reported IR and Raman study, we found that some HR bands are IR-active but Raman-inactive. In contrast, HR signals with the 1064-nm excitation are much weaker than the 532-nm excitation. Nevertheless, we observed the COO scissoring band unexpectedly, much stronger than other bands with the 1064-nm excitation. Our results suggest that the electronic resonance effect plays a role in enabling us to detect HR signals in the UV region readily. We expect that this study provides a supplementary reference for HR spectroscopy of natural amino acids.

Graphical Abstract

我们报道了具有代表性的非蛋白质原性氨基酸,包括α-、β-和γ-氨基酸的532 nm和1064 nm激发超拉曼(HR)光谱。与常见的20种蛋白质原性氨基酸不同,天然非蛋白质原性氨基酸在翻译过程中不能被整合到蛋白质中,但它们在生物合成和神经递质等许多过程中都是必不可少的中间体。在532 nm激发的HR光谱中,COO对称的拉伸带普遍很强,NH3+的拉伸带明显可见。此外,根据已报道的IR和拉曼研究,我们发现一些HR波段具有IR活性但拉曼不活性。相比之下,1064 nm激发下的HR信号明显弱于532 nm激发。然而,在1064nm激发下,我们意外地观察到COO─剪切带比其他条带强得多。我们的研究结果表明,电子共振效应使我们能够很容易地检测到紫外区的HR信号。期望本研究能为天然氨基酸的HR光谱分析提供补充参考。
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引用次数: 0
Extension of the molar absorption coefficient for non-ideal mixtures: an application to aqueous monovalent alcohol solutions. 非理想混合物摩尔吸收系数的扩展:一价醇水溶液的应用。
IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-13 DOI: 10.1007/s44211-024-00703-7
Akifumi Ikehata

The hydration state of the alcohols was investigated using the extended molar absorption coefficient, which redefines the molar absorption coefficient as a differential coefficient of concentration. The extended molar absorption coefficient is a function of the concentration calculated from the difference in absorbance, and is consistent with the conventional molar absorption coefficient, allowing a complete quantitative comparison. The quantitative performance was verified using IR and NIR absorption spectra of aqueous solutions of monovalent alcohols (methanol, ethanol, 1-propanol, 2-propanol, and tert-butanol) that were soluble in water at any mixing ratio. Extended molar absorption coefficient spectra were calculated for the combination bands of water, which were further separated by multivariate curve resolution-alternating least squares (MCR-ALS) into molecular species with different peak wavenumbers: strongly hydrogen-bonded (SHB), weakly hydrogen-bonded (WHB), and free OH species. The number of water species that change when one alcohol molecule increases, i.e., the perturbed hydration number (PHN), was calculated by comparison with the conventional molar absorption coefficient of pure water. The calculated PHN indicates that the numbers of SHB and WHB species are reversed at approximately 20 wt%, and that the free OH species increase at higher alcohol concentrations and are more pronounced for alcohols with bulky alkyl groups. These results provide a quantitative answer to the long-debated question of anomalies in water-alcohol mixing.

采用扩展的摩尔吸收系数,将摩尔吸收系数重新定义为浓度的微分系数,研究了醇的水化状态。扩展的摩尔吸收系数是由吸光度差计算的浓度的函数,与传统的摩尔吸收系数一致,可以进行完整的定量比较。采用任意混合比例可溶于水的一价醇(甲醇、乙醇、1-丙醇、2-丙醇和叔丁醇)水溶液的红外和近红外吸收光谱验证了定量性能。通过多元曲线分辨率-交替最小二乘法(MCR-ALS)将水的组合带扩展摩尔吸收系数光谱进一步划分为不同峰波数的分子种:强氢键(SHB)、弱氢键(WHB)和游离OH。通过与传统的纯水摩尔吸收系数的比较,计算了一个醇分子增加时发生变化的水种数,即微扰水化数(PHN)。计算的PHN表明,SHB和WHB种类的数量在约20 wt%时相反,并且在较高的醇浓度下,游离OH种类增加,并且对于具有大烷基的醇更为明显。这些结果为长期争论的水-酒精混合异常问题提供了定量答案。
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引用次数: 0
Antibiotic SERS spectral analysis based on data augmentation and attention mechanism strategy 基于数据增强和注意机制策略的抗生素SERS谱分析。
IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-11 DOI: 10.1007/s44211-024-00695-4
Hang Zhao, Min Zhou, Chunlin Liu, Hongheng Sun, Panshuo Zhang, Jun Ma, Xiaofeng Shi

The analysis of Raman spectrum data has gradually transitioned into the era of machine learning. However, it is still constrained by the challenge of acquiring large volumes of raw data and the issue of losing characteristic information from spectral data. In this paper, we propose a strategy that combines data amplification and attention mechanisms for analyzing antibiotic spectral data. Firstly, a Generative Adversarial Network was employed to amplify the SERS spectrum of eight antibiotics by 10 times, to augment the dataset to fulfill the requirements of the neural network. Then, the amplified data is input into a one-dimensional convolutional neural network with an attentional mechanism module, which enables a more accurate capture of spectral feature information. The one-dimensional convolutional neural network achieved a 97.5% accuracy in classifying eight antibiotics. The accuracy of the four mixtures within the same class was 89.4%.

Graphical abstract

​然而,它仍然受到获取大量原始数据的挑战和光谱数据中特征信息丢失的问题的限制。在本文中,我们提出了一种结合数据放大和注意机制的策略来分析抗生素光谱数据。首先,利用生成式对抗网络将8种抗生素的SERS谱放大10倍,增强数据集以满足神经网络的要求;然后,将放大后的数据输入到具有注意机制模块的一维卷积神经网络中,可以更准确地捕获光谱特征信息。一维卷积神经网络对8种抗生素的分类准确率达到97.5%。在同一类别中,4种混合物的准确度为89.4%。
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引用次数: 0
Photoionization of pyrenemethylamine-labeled oligosaccharides: a new MALDI-TOF precursor ion-type for efficient fragmentation 芘甲胺标记低聚糖的光电离:一种新的MALDI-TOF前体离子型高效碎片化。
IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-10 DOI: 10.1007/s44211-024-00700-w
Andreas H. Franz, Nathan Ta, Ella Nguyen, Kendall Bromley, Hana Rosenblatt, Aprilrose Fabro, Geoff Lin-Cereghino

Oligosaccharides were covalently labeled with 1-pyrenemethylamine (1-PMA) in 15 min at 75 °C with high yield, separated by quantitative HPLC in less than 20 min, and characterized by off-line Matrix-Assisted Laser Desorption/Ionization (MALDI) Time-of-Flight (TOF) mass spectrometry (MS). A new MALDI mass spectral precursor ion for fragmentation studies was observed from 2,5-dihydroxybenzoic acid matrix (DHB, hydroquinone/benzoquinone redox system) through photo-induced reductive elimination. The resulting high-energy protonated glycosylamine provided excellent fragmentation efficiency (Y-, B-ions, and combination losses), with ions covering almost the entire structure of several oligosaccharides at the low picomol level. With the new method, glycans from commercially available standard glycoproteins and glycans from bioengineered β-lactoglobulin expressed in the bgs13 mutant of Pichia pastoris were analyzed.

Graphical abstract

在 75 °C、15 分钟内用 1-芘甲胺(1-PMA)共价标记低聚糖并获得高产率,在 20 分钟内用高效液相色谱定量分离,并用离线基质辅助激光解吸/电离(MALDI)飞行时间(TOF)质谱(MS)进行表征。通过光诱导还原消除,从 2,5-二羟基苯甲酸基质(DHB,对苯二酚/对苯醌氧化还原体系)中观察到了一种用于碎片研究的新型 MALDI 质谱前体离子。由此产生的高能质子化糖基化胺具有极佳的破碎效率(Y 离子、B 离子和组合损失),在低皮摩尔水平上,离子几乎涵盖了几种低聚糖的整个结构。利用这种新方法分析了市售标准糖蛋白中的聚糖和在 Pichia pastoris 的 bgs13 突变体中表达的生物工程β-乳球蛋白中的聚糖。
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引用次数: 0
Review of the detection of pathogenic Escherichia coli based-microchip technology 致病性大肠杆菌的微芯片检测技术综述。
IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-09 DOI: 10.1007/s44211-024-00693-6
Xudong Xue, Yan Zhang

Escherichia coli (E. coli) is a pathogen that has generated global concern due to the public health challenges it has created. Therefore, the rapid and accurate detection of E. coli is important to public health safety. Microchips have become a popular analytical technique for detecting E. coli due to their automation, high analytical efficiency, and low analyte consumption. Therefore, this paper highlights multiple microchip-based strategies for the detection of E. coli, reviews their limitations, and provides strategies and future perspectives for analyzing E. coli..

Graphical abstract

大肠杆菌是一种因其造成的公共卫生挑战而引起全球关注的病原体。因此,快速准确地检测大肠杆菌对公共卫生安全具有重要意义。由于微芯片具有自动化、分析效率高、分析物消耗少等优点,已成为检测大肠杆菌的一种流行分析技术。因此,本文重点介绍了多种基于微芯片的大肠杆菌检测策略,综述了它们的局限性,并提出了大肠杆菌分析的策略和未来的展望。
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引用次数: 0
Simple, accurate, and precise detection of total nitrogen in surface waters using a smartphone-based analytical method 使用基于智能手机的分析方法,简单、准确、精确地检测地表水中的总氮。
IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-09 DOI: 10.1007/s44211-024-00696-3
Fatih Polat

In this study, a simple, accurate, and precise analytical strategy was developed for the determination of total nitrogen (total dissolved nitrogen + particulate nitrogen) in surface waters using smartphone technology. The spectrophotometric method based on digestion with persulfate, commonly used in water analyses, was integrated with a digital image-based colorimetric detection system (DIC). To evaluate the accuracy of the total nitrogen-digital image-based colorimetric detection system (TN-DIC), results obtained from the Hach method and UV–VIS spectrophotometer were compared with the RGB values obtained from the smartphone imaging system. T-Test results indicated no statistically significant difference between the results obtained from the TN-DIC method and the standard methods. The linear range of the TN-DIC method was determined to be 0.25–5 mg/L. The analytical quality indicators of the system were established as follows: limit of detection (LOD) 0.095 ppm, limit of quantification (LOQ) 0.29 ppm, %RSD 0.32, and R2 value 0.9982. Recovery percentages (99–112%) used to measure the analytical performance of the method were calculated through spike applications at concentrations of 1 and 2 ppm in real water samples. Unlike traditional spectrophotometric methods, this smartphone-based approach is fast, simple, and cost-effective, requiring no complex equipment during analysis.

Graphical abstract

本研究利用智能手机技术,开发了一种简单、准确、精密的地表水总氮(总溶解氮+颗粒氮)测定方法。将水分析中常用的过硫酸盐消解分光光度法与基于数字图像的比色检测系统(DIC)相结合。为了评估基于总氮数字图像的比色检测系统(TN-DIC)的准确性,将Hach法和UV-VIS分光光度计获得的结果与智能手机成像系统获得的RGB值进行比较。t检验结果表明,n - dic方法与标准方法的结果无统计学差异。n - dic法的线性范围为0.25 ~ 5 mg/L。建立的体系分析质量指标为:检出限(LOD) 0.095 ppm,定量限(LOQ) 0.29 ppm, %RSD 0.32, R2值0.9982。回收率(99-112%)用于测量该方法的分析性能,通过在实际水样中浓度为1和2 ppm的峰值应用来计算。与传统的分光光度法不同,这种基于智能手机的方法快速、简单且具有成本效益,在分析过程中不需要复杂的设备。
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引用次数: 0
Quality control of corn silk extract using IR spectroscopy along with statistical methods 利用红外光谱和统计方法对玉米丝提取物进行质量控制。
IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-09 DOI: 10.1007/s44211-024-00699-0
Aiko Sano, Yutaka Inoue, Yuji Higuchi, Ken-ichi Akao, Ryuichiro Suzuki

Aqueous extracts of corn silk exhibit glycation-inhibitory activity. Lignin is the active component of these extracts. As corn silk is highly nutritious and has medicinal value, it can be used as a functional food and cosmetics. However, to achieve this goal, it is necessary to evaluate its quality. As lignin, which could be used as a marker compound for quality control, is a macromolecule, HPLC cannot be employed for the quality control of the aqueous extracts of corn silk. We here develop a method to evaluate the anti-glycation activity of the aqueous extracts of corn silk using attenuated total reflectance (ATR)-Fourier transform infrared (FTIR) spectroscopy along with multivariate statistical analysis. The inhibitory activity was evaluated using two multivariate calibrations: principal component regression (PCR) and partial least square regression (PLSR). The spectral areas of the PCR model were 633.5–880.3, 1191.8–1359.6, 1423.1–1492.6, and 2572.6–2974.7 cm−1. Its coefficient of correlation (R2 = 0.981) and root mean square error of cross validation (RMSECV = 2.356) were highly predictable. The spectral regions of 983.5–985.5 and 1021.1–1107.9 cm−1 offered the best prediction models for the PLSR model. The R2 value for the correlation between the actual values and the FTIR-predicted values was 0.994, while the corresponding RMSECV was 1.325%. Hence, FTIR spectroscopy along with multivariate calibration is a useful method for evaluating active corn silk aqueous extracts.

Graphical abstract

玉米丝的水提物表现出糖基化抑制活性。木质素是这些提取物的活性成分。玉米丝营养价值高,具有药用价值,可作为功能性食品和化妆品。然而,为了实现这一目标,有必要对其质量进行评估。由于木质素是一种大分子,可以作为质量控制的标志化合物,因此不能采用高效液相色谱法对玉米丝水提物进行质量控制。本文建立了一种利用衰减全反射(ATR)-傅里叶变换红外(FTIR)光谱以及多元统计分析来评价玉米丝水提物抗糖基化活性的方法。采用主成分回归(PCR)和偏最小二乘回归(PLSR)两种多变量校准来评估其抑制活性。PCR模型的光谱区分别为633.5 ~ 880.3、1191.8 ~ 1359.6、1423.1 ~ 1492.6和2572.6 ~ 2974.7 cm-1。其相关系数(R2 = 0.981)和交叉验证均方根误差(RMSECV = 2.356)具有较高的可预测性。983.5 ~ 985.5和1021.1 ~ 1107.9 cm-1光谱区域是PLSR模型的最佳预测模型。实际值与ftir预测值的相关系数R2为0.994,对应的RMSECV为1.325%。因此,FTIR光谱与多变量校准是评价活性玉米丝水提物的有效方法。
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引用次数: 0
A rapid purification method for trace amounts of cell-free DNA in urine 一种快速纯化尿液中微量无细胞DNA的方法。
IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-09 DOI: 10.1007/s44211-024-00687-4
Ryo Fukushima, Yuina Ogura, Chikako Hosokawa, Noriko Watanabe, Fumihiro Ishikawa, Motoko Shibanuma, Masaru Kato

Cell-free DNA (cfDNA) is a valuable biomarker for the early detection of genetic diseases and for evaluating treatment efficacy. We developed a rapid and cost-effective purification method for urinary cfDNA using a commercially available DNA purification kit. This method enables the rapid purification (< 20 min) of DNA suitable for use in the polymerase chain reaction (PCR) using only a centrifuge and a heater. Additionally, we discovered that short-chain DNA could be efficiently purified by incorporating a concentration step using cationic particles. Quantitative PCR (qPCR) analysis of the purified DNA demonstrated that use of the developed method effectively decreased the DNA detection limit. Overall, this method enables the rapid and inexpensive purification of DNA, and it is suitable for combination with recent advanced DNA analysis technologies such as qPCR, next-generation sequencing, and mass spectrometry. It is therefore expected to contribute to the early detection of cancer and have a major impact on the medical field.

Graphical abstract

游离DNA (Cell-free DNA, cfDNA)是一种有价值的遗传疾病早期检测和治疗效果评价的生物标志物。我们使用市售的DNA纯化试剂盒开发了一种快速且经济高效的尿cfDNA纯化方法。这种方法可以快速纯化(
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引用次数: 0
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