Analytical science advances最新文献

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Molecular detection and association of 12.1 kb deletion within the high mobility AT-hook 2 gene in the Netherlands dwarf rabbit (Oryctolagus Cuniculus) 荷兰矮兔(Oryctolagus Cuniculus)高迁移率 AT-hook 2 基因 12.1 kb 缺失的分子检测与关联
IF 3
Analytical science advances Pub Date : 2024-06-02 DOI: 10.1002/ansa.202300050
Tai Duc Nguyen, Lam Van Dang, Phuong Nhu Nguyen Tran, Dai Van Nguyen, Anh Phu Nam Bui
{"title":"Molecular detection and association of 12.1 kb deletion within the high mobility AT-hook 2 gene in the Netherlands dwarf rabbit (Oryctolagus Cuniculus)","authors":"Tai Duc Nguyen,&nbsp;Lam Van Dang,&nbsp;Phuong Nhu Nguyen Tran,&nbsp;Dai Van Nguyen,&nbsp;Anh Phu Nam Bui","doi":"10.1002/ansa.202300050","DOIUrl":"10.1002/ansa.202300050","url":null,"abstract":"<p>Rabbits are mainly bred for human consumption and medical research. However, it has been recently showed that several rabbit breeds are also kept as pets for human leisure. The Netherlands dwarf rabbit is currently in the immense interest of many Vietnamese customers due to its personality and miniature stature. However, 12.1 kb deletion from position 44,709,089 to 44,721,236 bp in the high mobility AT-hook 2 (HMGA2) gene on chromosome 4 was identified as the structural variant causing dwarfism and altered craniofacial development in this breed. It has been documented that HMGA2 plays an important role in regulating growth and individuals with genotype HMGA2 <i>del/del</i> are fatal several days after birth. Despite the economically high value of the Netherlands dwarf rabbit, there has been no study on the genetic survey of lethal alleles in this breed in Vietnam. The aim of this study is to develop a fast and reliable method to screen the frequency of lethal alleles of HMGA2 in the South of Vietnam. Rabbit saliva was collected, and DNA extraction was followed. Multiplex polymerase chain reaction (PCR) with three primers was optimized and performed to detect the presence of 12.1 kb deletion within the HMGA2 sequence. Our data showed that the 12.1 kb deletion in the Netherlands dwarf rabbit population was detected by our optimized multiplex PCR. In 100 rabbit animals, 34 and 16 individuals were homozygous wild type (<i>+/+</i>) and homozygous mutant (del/del), respectively, while 50 rabbits were heterozygous. The frequency of HMGA2 lethal allele carrier was 66% (66/100 individuals). Our results indicated that we successfully developed a fast, accurate multiplex PCR to detect carrier individuals. Verification of the genotypes was followed by sequencing. We recommend implementing our multiplex PCR procedure in genetic selection for carrier and homozygous wild-type animals in the mating scheme to prevent the lethality of the rabbit offspring. Additionally, awareness should be raised among rabbit breeders to monitor the genetic makeup of the Netherlands dwarf rabbit populations. However, due to the limitation of the sample size, more samples should be taken in future studies to obtain the genetic frequency of the HMGA2 lethal allele more accurately.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 7-8","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202300050","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141273279","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ensuring food safety: Microfluidic-based approaches for the detection of food contaminants 确保食品安全:基于微流控技术的食品污染物检测方法
IF 3
Analytical science advances Pub Date : 2024-04-14 DOI: 10.1002/ansa.202400003
Tom Kasputis, Kait Elizabeth Hosmer, Yawen He, Juhong Chen
{"title":"Ensuring food safety: Microfluidic-based approaches for the detection of food contaminants","authors":"Tom Kasputis,&nbsp;Kait Elizabeth Hosmer,&nbsp;Yawen He,&nbsp;Juhong Chen","doi":"10.1002/ansa.202400003","DOIUrl":"10.1002/ansa.202400003","url":null,"abstract":"<p>Detecting foodborne contamination is a critical challenge in ensuring food safety and preventing human suffering and economic losses. Contaminated food, comprising biological agents (e.g. bacteria, viruses and fungi) and chemicals (e.g. toxins, allergens, antibiotics and heavy metals), poses significant risks to public health. Microfluidic technology has emerged as a transformative solution, revolutionizing the detection of contaminants with precise and efficient methodologies. By manipulating minute volumes of fluid on miniaturized systems, microfluidics enables the creation of portable chips for biosensing applications. Advancements from early glass and silicon devices to modern polymers and cellulose-based chips have significantly enhanced microfluidic technology, offering adaptability, flexibility, cost-effectiveness and biocompatibility. Microfluidic systems integrate seamlessly with various biosensing reactions, facilitating nucleic acid amplification, target analyte recognition and accurate signal readouts. As research progresses, microfluidic technology is poised to play a pivotal role in addressing evolving challenges in the detection of foodborne contaminants. In this short review, we delve into various manufacturing materials for state-of-the-art microfluidic devices, including inorganics, elastomers, thermoplastics and paper. Additionally, we examine several applications where microfluidic technology offers unique advantages in the detection of food contaminants, including bacteria, viruses, fungi, allergens and more. This review underscores the significant advancement of microfluidic technology and its pivotal role in advancing the detection and mitigation of foodborne contaminants.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 5-6","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202400003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140705195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biopolymer-based intelligent packaging integrated with natural colourimetric sensors for food safety and sustainability 基于生物聚合物的智能包装集成了天然比色传感器,促进食品安全和可持续发展
IF 3
Analytical science advances Pub Date : 2024-04-07 DOI: 10.1002/ansa.202300065
Ivy Chiu, Tianxi Yang
{"title":"Biopolymer-based intelligent packaging integrated with natural colourimetric sensors for food safety and sustainability","authors":"Ivy Chiu,&nbsp;Tianxi Yang","doi":"10.1002/ansa.202300065","DOIUrl":"10.1002/ansa.202300065","url":null,"abstract":"<p>Increasing concerns about global food safety and security demands innovative solutions, particularly in food packaging technologies. This review paper investigates the advanced integration of natural colourimetric sensors with biopolymer-based packaging materials, with a focus on developments over the past 5 years. These sensors change colour in response to environmental stimuli such as oxygen, temperature, pH and relative humidity, intuitively indicating food freshness and safety. The paper emphasizes the recent advancements in using natural colourants, such as alizarin, anthocyanins, betacyanins, chlorophyll, curcumin and shikonin. When combined with either natural or synthetic biopolymers, these colourants contribute to a sustainable and eco-friendly approach to food packaging. Such technological advances could notably decrease the incidence of foodborne illnesses by signaling potential spoilage or contamination, while also addressing food wastage by providing clear indications of edibility. Although challenges remain in sensor longevity and widespread adoption, the prospects for biopolymer-based food packaging with embedded natural colourimetric sensors are promising.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 5-6","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202300065","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140733640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Differentiating the aromatic positional isomers of methylbuphedrones and methoxybuphedrones via chemical ionization-mass spectrometry 通过化学电离-质谱法区分甲基四氢大麻烯和甲氧基四氢大麻烯的芳香位置异构体
Analytical science advances Pub Date : 2024-02-10 DOI: 10.1002/ansa.202300064
Shinji Tsunoi, Tomohiro Yasuhisa, Takahiro Hisasue, Itaru Suzuki, Ikuya Shibata
{"title":"Differentiating the aromatic positional isomers of methylbuphedrones and methoxybuphedrones via chemical ionization-mass spectrometry","authors":"Shinji Tsunoi,&nbsp;Tomohiro Yasuhisa,&nbsp;Takahiro Hisasue,&nbsp;Itaru Suzuki,&nbsp;Ikuya Shibata","doi":"10.1002/ansa.202300064","DOIUrl":"10.1002/ansa.202300064","url":null,"abstract":"<p>Discrimination of aromatic positional isomers of methylbuphedrones and methoxybuphedrones was successfully achieved. Meta isomers were discriminated by chemical ionization-tandem mass spectrometry (CI-MS/MS) using acetonitrile as a reagent gas. Furthermore, all the aromatic positional isomers were discriminated by CI-MS/MS using vinyltrimethylsilane as a reagent gas.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202300064","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139786836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Physical, chemical and biological characteristics of clays from Durban (South Africa) for applications in cosmetics 南非德班用于化妆品的粘土的物理、化学和生物特性
Analytical science advances Pub Date : 2024-02-08 DOI: 10.1002/ansa.202300062
S'busiso M Nkosi, Nokukhanya Thembane
{"title":"Physical, chemical and biological characteristics of clays from Durban (South Africa) for applications in cosmetics","authors":"S'busiso M Nkosi,&nbsp;Nokukhanya Thembane","doi":"10.1002/ansa.202300062","DOIUrl":"10.1002/ansa.202300062","url":null,"abstract":"<p>Clay soils are rock-decomposed materials comprised of both clay- and non-clay-like minerals. Clays' physiochemical and mineralogical composition determines their applicability use in cosmetics. Because of their high bioburden, they must be effectively characterized before being incorporated into cosmetics. The scope of the current study was to characterize two different samples of red and white clays for their physical, chemical and biological properties; mined from Durban, South Africa. Characterization was performed using techniques like X-ray fluorescence, X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscope, hydrogen potential, soil colour, oil absorption, swelling capacity, texture, bulk density, plastic and apparent viscosity, sun protection factor and microbiological analysis.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202300062","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139851386","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Two common pitfalls in the analysis of water-stable isotopologues with cryogenic vacuum extraction and cavity ring-down spectroscopy 利用低温真空萃取和空腔降环光谱分析水稳定同位素的两个常见误区
Analytical science advances Pub Date : 2024-01-25 DOI: 10.1002/ansa.202300053
Simon Haberstroh, Angelika Kübert, Christiane Werner
{"title":"Two common pitfalls in the analysis of water-stable isotopologues with cryogenic vacuum extraction and cavity ring-down spectroscopy","authors":"Simon Haberstroh,&nbsp;Angelika Kübert,&nbsp;Christiane Werner","doi":"10.1002/ansa.202300053","DOIUrl":"10.1002/ansa.202300053","url":null,"abstract":"<p>Water stable isotopologue analysis is widely used to disentangle ecohydrological processes. Yet, there are increasing reports of measurement uncertainties for established and emerging methods, such as cryogenic vacuum extraction (CVE) or cavity ring-down spectroscopy (CRDS). With this study, we investigate two pitfalls, that potentially contribute to uncertainties in water-stable isotopologue research. To investigate fractionation sources in CVE, we extracted pure water of known isotopic composition with cotton, glass wool or without cover and compared the isotopologue results with non-extracted reference samples. To characterise the dependency of δ<sup>2</sup>H and δ<sup>18</sup>O on the water mixing ratio in CRDS, which is of high importance for in-situ applications with large natural variations in mixing ratios, we chose samples with a large range of isotopic compositions and determined δ<sup>2</sup>H and δ<sup>18</sup>O for different water mixing ratios with two CRDS analysers (Picarro, Inc.). Cotton wool had a strong fractionation effect on δ<sup>2</sup>H values, which increased with more <sup>2</sup>H-enriched samples. δ<sup>2</sup>H and δ<sup>18</sup>O values showed a strong dependency on the water mixing ratio analysed with CRDS with differences of up to 34.5‰ (δ<sup>2</sup>H) and 3.9‰ (δ<sup>18</sup>O) for the same sample at different mixing ratios. CVE and CRDS, now routinely applied in water stable isotopologue research, come with pitfalls, namely fractionation effects of cover materials and water mixing ratio dependencies of δ<sup>2</sup>H and δ<sup>18</sup>O, which can lead to erroneous isotopologue results and thus, invalid conclusions about (ecohydrological) processes. These practical issues identified here should be reported and addressed adequately in water-stable isotopologue research.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 3-4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202300053","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139598355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Screening stabilisers for cyanoenone triterpenoid TX101 in rat plasma samples by simultaneous analysis of parent drug and the epoxidation product 通过同时分析母药和环氧化产物,筛选大鼠血浆样本中氰烯酮三萜类化合物 TX101 的稳定剂
Analytical science advances Pub Date : 2024-01-20 DOI: 10.1002/ansa.202300058
Lynn Tian, Qingguo Tian, Edward Tamer
{"title":"Screening stabilisers for cyanoenone triterpenoid TX101 in rat plasma samples by simultaneous analysis of parent drug and the epoxidation product","authors":"Lynn Tian,&nbsp;Qingguo Tian,&nbsp;Edward Tamer","doi":"10.1002/ansa.202300058","DOIUrl":"10.1002/ansa.202300058","url":null,"abstract":"<p>In the development of bioanalytical methods, stabilizing drug molecules in biological matrices is crucial for ensuring reliable exposure data in pharmacokinetic and toxicokinetic sample analyses. This study focuses on the evaluation of stabilizing effects on the synthetic triterpenoid TX101, a cyanoenone triterpenoid Nrf2 activator with known instability in plasma samples. The molecule's unsaturated double bond is susceptible to oxidation, either nonenzymatically via oxygen or enzymatically through cytochrome P450 enzyme-catalyzed epoxidation. The research explores the impact of antioxidants (L-ascorbic acid, sodium metabisulfite, sodium sulfite) and P450 enzyme inhibitors (sodium diethyldithiocarbamate, memantine hydrochloride, 1-aminobenzotriazole) on TX101 stability in rat plasma samples. Results reveal that adding 2.5 mg/mL sodium sulfite or sodium metabisulfite effectively inhibits the nonenzymatic oxidation of TX101 to TX101-epoxide, while L-ascorbic acid shows minimal stabilizing effect. Among P450 enzyme inhibitors, sodium diethyldithiocarbamate and memantine hydrochloride exhibit modest stabilizing effects, likely attributed to their antioxidant activity. The developed High-formance liquid chromatography coupled to tandem mass spectrometry (LC–MS/MS) method, incorporating Supported Liquid Extraction for sample cleanup, allows simultaneous monitoring of TX101 and TX101-epoxide. Application of this method in a rat dose-range finding study confirms successful inhibition of TX101-epoxide formation in samples treated with sodium sulfite or sodium metabisulfite. Overall, the study emphasizes the importance of stabilizers in preventing nonenzymatic oxidation reactions during sample storage, providing valuable insights for bioanalytical method development and validation.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 1-2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202300058","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139524089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In situ simultaneous measuring method for the determination of key processes of soil organic carbon cycling: Soil microbial respiration using laser spectrometry 测定土壤有机碳循环关键过程的原位同步测量方法:利用激光光谱仪测定土壤微生物呼吸作用
Analytical science advances Pub Date : 2023-12-26 DOI: 10.1002/ansa.202300054
Hongzhao Yuan, Zhen He, Liping Zhang, Jiurong Wang, Zhenke Zhu, Tida Ge
{"title":"In situ simultaneous measuring method for the determination of key processes of soil organic carbon cycling: Soil microbial respiration using laser spectrometry","authors":"Hongzhao Yuan,&nbsp;Zhen He,&nbsp;Liping Zhang,&nbsp;Jiurong Wang,&nbsp;Zhenke Zhu,&nbsp;Tida Ge","doi":"10.1002/ansa.202300054","DOIUrl":"https://doi.org/10.1002/ansa.202300054","url":null,"abstract":"<p>Rationale: Soil microbial heterotrophic C-CO<sub>2</sub> respiration is important for C cycling. Soil CO<sub>2</sub> differentiation and quantification are vital for understanding soil C cycling and CO<sub>2</sub> emission mitigation. Presently, soil microbial respiration (SR) quantification models are based on native soil organic matter (SOM) and require consistent monitoring of δ<sup>13</sup>C and CO<sub>2</sub>.</p><p>Methods: We present a new apparatus for achieving in situ soil static chamber incubation and simultaneous CO<sub>2</sub> and δ<sup>13</sup>C monitoring by cavity ring-down spectroscopy (CRDS) coupled with a soil culture and gas introduction module (SCGIM) with multi-channel. After a meticulous five-point inter-calibration, the repeatability of CO<sub>2</sub> and δ<sup>13</sup>C values by using CRDS-SCGIM were determined, and compared with those obtained using gas chromatography (GC) and isotope ratio mass spectrometry (IRMS), respectively. We examined the method regarding quantifying SR with various concentrations and enrichment of glucose and then applied it to investigate the responses of SR to the addition of different exogenous organic materials (glucose and rice residues) into paddy soils during a 21-day incubation.</p><p>Results: The CRDS-SCGIM CO<sub>2</sub> and δ<sup>13</sup>C measurements were conducted with high precision (&lt; 1.0 µmol/mol and 1‰, respectively). The optimal sampling interval and the amount added were not exceeded 4 h and 200 mg C/100 g dry soil in a 1 L incubation bottle, respectively; the <sup>13</sup>C-enrichment of 3%–7% was appropriate. The total SR rates observed were 0.6–4.2 µL/h/g and the exogenous organic materials induced -49%–28% of priming effects in native SOM mineralisation.</p><p>Conclusions: Our results show that CRDS-SCGIM is a method suitable for the quantification of soil microbial CO<sub>2</sub> respiration, requiring less extensive lab resources than GC/IRMS.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 1-2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202300054","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139716978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Raman spectral marker for the iso-octyl chain structure of cholesterol 胆固醇异辛链结构的拉曼光谱标记
Analytical science advances Pub Date : 2023-12-04 DOI: 10.1002/ansa.202300057
Mathieu L. Simeral, Steven M. E. Demers, Kyle Sheth, Jason H. Hafner
{"title":"A Raman spectral marker for the iso-octyl chain structure of cholesterol","authors":"Mathieu L. Simeral,&nbsp;Steven M. E. Demers,&nbsp;Kyle Sheth,&nbsp;Jason H. Hafner","doi":"10.1002/ansa.202300057","DOIUrl":"10.1002/ansa.202300057","url":null,"abstract":"<p>Raman spectroscopy provides label-free, specific analysis of biomolecular structure and interactions. It could have a greater impact with improved characterization of complex fingerprint vibrations. Many Raman peaks have been assigned to cholesterol, for example, but the molecular vibrations associated with those peaks are not known. In this report, time-dependent density functional theory calculations of the Raman spectrum of cholesterol are compared to measurements on microcrystalline powder to identify 23 peaks in the Raman spectrum. Among them, a band of six peaks is found to be sensitive to the conformational structure of cholesterol's iso-octyl chain. Calculations on 10 conformers in this spectral band are fit to experimental spectra to probe the cholesterol chain structure in purified powder and in phospholipid vesicles. In vesicles, the chain is found to bend perpendicular to the steroid rings, supporting the case that the chain is a dynamic structure that contributes to lipid condensation and other effects of cholesterol in biomembranes.</p><p><i>Statement of Significance</i>: Here we use density functional theory to identify a band of six peaks in cholesterol's Raman spectrum that is sensitive to the conformational structure of cholesterol's chain. Raman spectra were analyzed to show that in fluid-phase lipid membranes, about half of the cholesterol chains point perpendicular to the steroid rings. This new method of label-free structural analysis could make significant contributions to our understanding of cholesterol's critical role in biomembrane structure and function. More broadly, the results show that computational quantum chemistry Raman spectroscopy can make significant new contributions to molecular structure when spectra are interpreted with computational quantum chemistry.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 1-2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202300057","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138603163","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Assessment of ammonium fluoride as a mobile phase additive for sensitivity gains in electrospray ionization 评估氟化铵作为流动相添加剂对提高电喷雾电离灵敏度的作用
Analytical science advances Pub Date : 2023-10-12 DOI: 10.1002/ansa.202300031
Jeremy Ryan McFadden, David Michael Ames
{"title":"Assessment of ammonium fluoride as a mobile phase additive for sensitivity gains in electrospray ionization","authors":"Jeremy Ryan McFadden,&nbsp;David Michael Ames","doi":"10.1002/ansa.202300031","DOIUrl":"10.1002/ansa.202300031","url":null,"abstract":"<p>Ammonium fluoride has been shown to improve sensitivity when using electrospray ionization (ESI) coupled with mass spectrometry (MS). Recent internal investigation furthered that claim, through the observation of improved sensitivity when analyzing steroid molecules. This work focuses on extending those observations to other small molecules to understand the impact ammonium fluoride has on detection sensitivity with optimized instrument conditions. Using conventional liquid chromatography ESI-MS we investigated sensitivity differences between ammonium fluoride, formic acid, or ammonium hydroxide as mobile phase additives. Full source optimization was performed for nine compounds at three different organic concentrations (30%, 60%, or 90%) with formic acid, ammonium fluoride, and ammonium hydroxide adjustment. Optimization results were compiled to generate individual methods by compound, polarity, mobile phase, and organic concentration. Flow injection analysis was performed with fully optimized methods to compare compounds across different solvent systems under optimal conditions. Negative ESI data showed 2–22-fold sensitivity improvements for all compounds with ammonium fluoride. Positive ESI data showed &gt; 1–11-fold improvement in sensitivity for four of seven compounds and no change for three of seven compounds with ammonium fluoride. Ammonium fluoride improved ESI<sup>−</sup> sensitivity for all compounds studied when using optimized source conditions. Investigation with ESI<sup>+</sup> analyses showed mixed results, with four of seven compounds showing improvement and others showing equivalency or slight loss in sensitivity, suggesting potential sensitivity gains for some analogs with ESI<sup>+</sup>.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"4 11-12","pages":"347-354"},"PeriodicalIF":0.0,"publicationDate":"2023-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202300031","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136013873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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