fourier transformed infrared spectroscopy

傅里叶变换红外光谱
  • 文章类型: Journal Article
    欧盟出版物办公室最近提交了一份关于欧盟与联合研究中心协调行动的报告,以确定蜂蜜行业的某些欺诈行为,其中表明74%的样本被分析,从中国进口,分析了93%的样本,从土耳其进口,全球最大的两个蜂蜜生产商,至少有一种外源糖或怀疑掺假的指标。这种情况揭示了世界范围内蜂蜜掺假问题的临界状态,以及开发用于其检测的分析技术的需求。即使蜂蜜的掺假是用源自C4植物的甜味糖浆以一般方式进行的,最近的研究表明,来自C3植物的糖浆正在用于蜂蜜的掺假。这种掺假使得不可能使用官方分析技术来分析其检测。在这项工作中,我们开发了一种快速的,简单,基于傅里叶变换红外光谱技术的经济方法,具有衰减的总反射率,对于定性,定量,同时测定甜菜根,date,和角豆糖浆,源自C3植物;其可用的参考书目非常稀缺,并且在分析上对当局的使用并不十分确定。所提出的方法基于建立蜂蜜和上述糖浆在中红外1200至900cm-1之间的光谱区域中八个不同点的光谱差异,蜂蜜中碳水化合物振动模式的特征,这允许预先区分是否存在所研究的糖浆,以及它们随后的量化,精度水平低于2.0%的相对标准偏差,相对误差低于2.0%(m/m)。
    The European Union Publications Office has recently presented a report on the European Union\'s coordinated action with the Joint Research Centre to determine certain fraudulent practices in the honey sector, in which it has been indicated that 74% of the samples analyzed, imported from China, and 93% of the samples analyzed, imported from Turkey, the two largest honey producers worldwide, presented at least one indicator of exogenous sugar or suspicion of being adulterated. This situation has revealed the critical state of the problem of honey adulteration worldwide and the need to develop analytical techniques for its detection. Even though the adulteration of honey is carried out in a general way with sweetened syrups derived from C4 plants, recent studies have indicated the emerging use of syrups derived from C3 plants for the adulteration of honey. This kind of adulteration makes it impossible to analyze its detection using official analysis techniques. In this work, we have developed a fast, simple, and economical method based on the Fourier transform infrared spectroscopy technique, with attenuated total reflectance, for the qualitative, quantitative, and simultaneous determination of beetroot, date, and carob syrups, derived from of C3 plants; whose available bibliography is very scarce and analytically not very conclusive for its use by the authorities. The proposed method has been based on the establishment of the spectral differences between honey and the mentioned syrups at eight different points in the spectral region between 1200 and 900 cm-1 of the mid-infrared, characteristic of the vibrational modes of carbohydrates in honey, which allows the pre-discrimination of the presence or absence of the syrups studied, and their subsequent quantification, with precision levels lower than 2.0% of the relative standard deviation and relative errors lower than 2.0% (m/m).
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  • 文章类型: Journal Article
    微塑料和纳米塑料(MNPs)的环境污染已得到充分证明,并有可能在全球范围内增加积累。公众对环境的日益关注,生态,人类接触MNPs导致出版物呈指数级增长,新闻文章,和报告(卡西利亚斯等人,2023年)。在用于从现实世界环境样本中识别和量化MNPs的标准化分析方法中存在显著的知识差距。这里,我们报告了全面的数据集,利用热重分析仪(TGA)耦合到傅立叶变换红外光谱仪(FTIR)和气相色谱/质谱仪(GC/MS),并记录了环境中存在的最常见聚合物的相应拉曼光谱数据(12种聚合物类型的35种塑料),作为MNPs鉴定和定量的基线参考。优化了TGA-FTIR-GC/MS数据采集的各种参数。使用该分析数据库鉴定商业消费塑料产品组合物。包括案例研究,以展示聚合物混合物分析方法的实用性。该数据集将有助于开发协作,全球,全面,并策划了用于识别各种MNPs和混合物的公共数据库。
    Environmental contamination by micro- and nanoplastics (MNPs) is well documented with potential for their increased accumulation globally. Growing public concern over environmental, ecological, and human exposure to MNPs has led to exponential increase in publications, news articles, and reports (Casillas et al., 2023). Significant knowledge gap exists in standardized analytical methods for the identification and quantification of MNPs from real world environmental samples. Here, we report comprehensive datasets utilizing thermogravimetric analyzer (TGA) coupled to a Fourier transformed infrared spectrometer (FTIR) and a gas chromatography/mass spectrometer (GC/MS) with corresponding Raman spectral data for the most common polymers documented to be present in the environment (35 plastics of 12 polymer types), to serve as a base line reference for the identification and quantitation of MNPs. Various parameters for TGA-FTIR-GC/MS data acquisition were optimized. Commercial consumer plastic product compositions were identified using this analytical database. Case studies to showcase the utility of the method for polymer mixtures analysis is included. This dataset would serve towards the development of a collaborative, global, comprehensive, and curated public database for the identification of various MNPs and mixtures.
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  • 文章类型: Journal Article
    The aim of this in vitro study was to evaluate the remineralizing ability of three glass ionomers on demineralized dentin with different thicknesses and time periods. Fifty third molars were obtained and were sectioned into 1-, 2-, and 3-mm thick slices (n = 36 for each thickness). The specimens were demineralized with 18% EDTA for 2 h. From the glass ionomer cements (GICs) under study (Ketac Molar Aplicap, Equia Forte, or Riva Light Cure), 1 mm was placed over each slice, set, and preserved in PBS until observation after 1, 7, 14, and 28 days after placement. For each material, thickness, and time, three samples were prepared. Using Fourier Transform Infrared Spectrometry (FTIR), apatite formation was determined on the side opposite to that on which the material had been placed. By means of Energy Dispersive Spectroscopy (EDX), the changes in the Calcium/Phosphate (Ca/P) ratio were evaluated. These changes were compared between the different materials by means of a two-way ANOVA test, considering time and dentin thickness, for a significance level of p < 0.05. Results: FTIR showed a peak at 1420 cm-1, evidencing the presence of carbonated hydroxyapatite in all the materials after 14 days, which indicates that a remineralization process occurred. Riva Light Cure showed the most homogeneous results at all depths at 28 days. The Ca/P ratio was maximum at 7 days in 2 mm of dentin for Riva Light Cure and Equia Forte HT (3.16 and 3.07; respectively) and for Ketac Molar at 14 days in 1 mm (3.67). All materials induced remineralization. Equia Forte achieved the greatest effect at 2 mm and Ketac Molar at 1 mm, whereas Riva Light Cure showed similar results at all depths. In terms of Ca/P ratio, Equia Forte and Riva Light Cure remineralized best at 2 mm, whereas for Ketac Molar, it was 1 mm. Carbonate apatite formation was higher at 24 h and 7 days for Ketac Molar, whereas it decreased at 14 days for Ketac Molar and peaked in Riva Light Cure and Equia Forte.
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  • 文章类型: Journal Article
    三阴性乳腺癌(TNBC)因其侵略性而脱颖而出,快速传播,和高度转移的行为以及对经典激素疗法无反应。它被认为是一种预后不良和治疗选择有限的疾病。在有助于TNBC传播的机制中,最近已经注意到小的细胞外囊泡(sEV),纳米大小的囊泡通过将生物活性分子转移到受体细胞中,在癌症之间的细胞间通讯中起着至关重要的作用,健康的细胞,和肿瘤微环境。特别是,TNBC衍生的sEV已被证明可以改变增殖,转移,耐药性,和靶细胞的生物力学特性。为了阐明sEV介导细胞生物力学的分子机制,我们研究了sEV对主要亚细胞参与者的影响,即,细胞膜,细胞骨架,和核染色质组织。我们的研究结果揭示了TNBC衍生的sEV能够促进细胞突起的形成和伸长,软化细胞体,并诱导受体细胞中的染色质去凝聚。特别是,我们的数据表明,染色质去凝聚是全球细胞软化的主要原因。本研究增加了新的细节,并揭示了TNBC衍生的sEV的新活性机制,为sEV有效转化为癌症治疗提供信息。
    Triple-negative breast cancer (TNBC) stands out for its aggressive, fast spread, and highly metastatic behavior and for being unresponsive to the classical hormonal therapy. It is considered a disease with a poor prognosis and limited treatment options. Among the mechanisms that contribute to TNBC spreading, attention has been recently paid to small extracellular vesicles (sEVs), nano-sized vesicles that by transferring bioactive molecules to recipient cells play a crucial role in the intercellular communication among cancer, healthy cells, and tumor microenvironment. In particular, TNBC-derived sEVs have been shown to alter proliferation, metastasis, drug resistance, and biomechanical properties of target cells. To shed light on the molecular mechanisms involved in sEVs mediation of cell biomechanics, we investigated the effects of sEVs on the main subcellular players, i.e., cell membrane, cytoskeleton, and nuclear chromatin organization. Our results unveiled that TNBC-derived sEVs are able to promote the formation and elongation of cellular protrusions, soften the cell body, and induce chromatin decondensation in recipient cells. In particular, our data suggest that chromatin decondensation is the main cause of the global cell softening. The present study added new details and unveiled a novel mechanism of activity of the TNBC-derived sEVs, providing information for the efficient translation of sEVs to cancer theranostics.
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  • 文章类型: Journal Article
    背景壳聚糖是一种生物相容性,可生物降解,和无毒的天然聚合物,可以通过不同的方法制造,用于牙科和生物医学领域。静电纺丝可以产生具有用于组织工程的所需性质的聚合物纳米纤维支架和膜。这项研究的目的是调查几种形态学,物理,和这些纳米纤维支架的生物学特性,并评估其在组织工程中的潜在用途。方法通过常规静电纺丝制备比例为70/30的壳聚糖/聚乙烯醇纳米纤维支架(CS/PVANFS)。支架通过傅立叶变换红外光谱(FTIR)进行化学评估,并通过原子力显微镜(AFM)和场发射扫描电子显微镜(FE-SEM)进行形态学评估。这些支架还通过拉伸强度测试和一些调查进行了机械评估,包括水接触角,溶胀率,和降解率。生物学评估包括蛋白质吸附,细胞培养,和细胞活力测定。结果形态学评价显示,无珠垫,平均纤维直径为172.7±56.8nm,平均孔径为0.54±0.17µm,孔隙率为74.8%±3.3%;支架的拉伸强度为6.67±0.7Mpa。支架显示了所需的亲水性,如平均角度为29.5°的水接触角试验所示,而溶胀率为229%,30天后在磷酸盐缓冲溶液中的降解率为26.9±2.9%。用脂肪组织间充质干细胞进行的体外细胞培养研究以及通过MTT测定进行的细胞活力和细胞毒性测试表明,细胞附着良好,增殖率增加,没有细胞毒性迹象。结论CS/PVANFS的评估显示了随机取向的无珠和多孔垫。支架在热处理后在水溶液中是稳定的。它们是亲水的,可生物降解,和生物相容性,如细胞培养和MTT分析所示,这表明制造的支架有可能作为支架用于组织工程应用,生物移植物,或屏障膜。
    Background Chitosan is a biocompatible, biodegradable, and non-toxic natural polymer that can be fabricated by different methods for use in dental and biomedical fields. Electrospinning can produce polymeric nanofibrous scaffolds and membranes with desirable properties for use in tissue engineering. The objectives of this study were to investigate several morphological, physical, and biological characteristics of these nanofibrous scaffolds and evaluate their potential use in tissue engineering. Methodology Chitosan/polyvinyl alcohol nanofibrous scaffolds (CS/PVA NFS) in a ratio of 70/30 were fabricated by conventional electrospinning. The scaffolds were evaluated chemically by Fourier transformed infrared spectroscopy (FTIR) and morphologically by the atomic force microscope (AFM) and the field emission-scanning electron microscope (FE-SEM). These scaffolds were also evaluated mechanically by a tensile strength test and several investigations, including water contact angle, swelling ratio, and degradation ratio. Biological evaluations included protein adsorption, cell culture, and cell viability assay. Results The morphological evaluation revealed a homogenous, bead-free mat with an average fiber diameter of 172.7 ± 56.8 nm, an average pore size of 0.54 ± 0.17 µm, and porosity of 74.8% ± 3.3%; the scaffolds showed a tensile strength of 6.67 ± 0.7 Mpa. Scaffolds showed a desired hydrophilic property, as shown by the water contact angle test with a mean angle of 29.5°, while the swelling ratio was 229%, and degradability in phosphate buffer solution after 30 days was 26.9 ± 2.9%. In-vitro cell culture study with adipose tissue mesenchymal stem cells and cell viability and cytotoxicity tests by MTT assay demonstrated well-attached cells with increasing proliferation rate with no signs of cytotoxicity. Conclusions Assessment of the CS/PVA NFS revealed randomly oriented bead-free and porous mats. The scaffolds were stable at aqueous solutions following thermal treatment. They were hydrophilic, biodegradable, and biocompatible, as shown by the cell culture and MTT assay, which suggest that the fabricated scaffolds have the potential to be used in tissue engineering applications either as scaffolds, bio-grafts, or barrier membranes.
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  • 文章类型: Journal Article
    This study analyzed the impact of adhesive primer and light-curing on the polymerization kinetics of urethane dimethacrylate-based self-adhesive resin cement combined with free radical reaction. Specimens were prepared by mixing the cement paste with or without adhesive primer. Subsequently, specimens were light-cured or set without light-curing. The degree of conversion (DC), Vickers hardness (Hv), and free radical concentrations were repeatedly measured up to 168 h after the curing initiation. Irrespective of the curing procedures, DC, Hv, and free radical concentration rapidly increased during the initial 30 min of curing. The specimens cured with adhesive primer and/or light-curing generally showed higher values of DC, Hv, and radical concentration than those set by chemical curing alone, especially during the initial polymerization phase. Kinetic analysis using a linear mixed model revealed that the adhesive primer had a higher coefficient estimate than light-curing, indicating that the former had a higher impact on the polymerization. Additionally, the adhesive primer alleviated the Hv reduction caused by water and air during the initial polymerization phase, although light-curing hardly prevented the polymerization inhibition. Therefore, we suggest that application of adhesive primer is beneficial to achieve higher degree of conversion and better mechanical properties of self-adhesive resin cements by enhancing free radical reactions.
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  • 文章类型: Journal Article
    An important element of the oil spill emergency response is the ability to rapidly identify the properties of oil spilled. Chemometrics provides large numbers of multivariate analysis tools that allow for more extensive use of data. Fourier transformed infrared spectroscopy coupled with classification and prediction models such as partial least square (PLS) and PLS-DA (discriminant analysis) allows the rapid identification of oil type and characteristics. By searching for the maximum covariance with the variables of interest, PLS allows the visualization of relations between samples and variables. The framework of this study is based on two main steps: The first is classification of oil and the second is prediction of physicochemical properties. Separated into four main categories: crude, light fuel, heavy fuel, and lubricant, spectrums of 92 oils were calibrated to predict the oil type and physicochemical properties of 26 oils. The predictability and robustness of the model was further validated using weathered oil. The classification and prediction models have accuracy of >95%. Most of the PLS models have root mean square error of calibration and prediction ranging from 0.10-3.07 and 0.3-2.8, respectively. External cross validations using weathered oils showed high prediction accuracy (relative standard deviations <5%). By increasing the number of oil type and samples, this approach is a promising method and can be included as part of the oil spill fingerprinting protocols.
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  • 文章类型: Journal Article
    在过去的几十年里,石墨烯由于其在光电子工业中的广泛应用而引起了科学界的广泛关注[1]。由于石墨烯的高透射率和高导电性,不同的功能材料/石墨烯杂化异质结构和界面正在进行广泛的研究,以满足对可弯曲需求的日益增长的兴趣,灵活的高性能光电器件[2]。由于石墨烯具有良好的原子晶格结构,通过直接在石墨烯上沉积不同的功能材料形成了不同的异质结构[3],[4],[5].我们利用Ti/PbS肖特基结制造了一种垂直光伏型G/PbS/Ti器件,并讨论了光电流瞬态特性。通过CBD(化学浴沉积)将硫化铅(PbS)直接沉积在大面积CVD(化学气相沉积)石墨烯上。通过傅立叶变换红外(FTIR)设置测量了我们的G/PbS/Ti光伏器件的温度依赖性光电流光谱。在本文中,我们介绍了在CVD-石墨烯上直接化学沉积PbS的实验程序和原始实验数据,用于高性能光伏红外光电探测器。手稿已经可用[6]。
    Over the past decades, graphene has attracted much attention from the scientific community due to its broad applications in the optoelectronics industries [1]. Owing to graphene\'s high transmission and high electrical conductivity, diverse functional materials/graphene hybridized heterostructures and interfaces are under extensive investigation to satisfy the increasing interest in the need for bendable, flexible and high performance optoelectronic devices [2]. Due to the good atomic lattice structure of graphene, varying heterostructures have been formed by depositing different functional materials directly on graphene [3], [4], [5]. We fabricated a vertical photovoltaic type G/PbS/Ti device by making use of the Ti/PbS Schottky junction and discussed the photocurrent transient characteristics. Lead sulfide (PbS) was deposited directly on large area CVD (Chemical vapor deposition) graphene by CBD (Chemical bath deposition). Temperature dependent photocurrent spectra of our G/PbS/Ti photovoltaic devices were measured by a Fourier transformed infrared (FTIR) set-up. In this paper, we present the experimental procedures and the raw experimental data for the direct chemical deposition of PbS on CVD-graphene for high performance photovoltaic infrared photo-detectors. The manuscript is already available [6].
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  • 文章类型: Journal Article
    Rifaximin (RFX) exhibit polymorphism and commercial formulation contains the α form. The polymorphic transformation of the RFX in the drug product have significant effect on the clinical outcome. The focus of present work was to understand effect of formulation component and manufacturing method, and exposure to stability condition on polymorphic stability and dissolution of RFX tablets. The RFX tablets containing 2.5, 5 and 10% glyceryl palmitostearate (GPS) were manufactured by direct-compression and wet-granulation followed by compression. Ethanol was used as a granulating solvent. The tablets were packed in pharmacy vials and exposed to 40 °C/75% RH for four weeks. The tablets were characterized for polymorphic form by X-ray powder diffraction (XRPD) and Fourier infrared spectroscopy (FTIR), assay and dissolution. Before exposure to stability condition, dissolution ranged from 78.0 ± 2.3 to 81.9 ± 3.5%, and 72.7 ± 2.0 and 75.9 ± 5.8% in directly compressed and ethanol-granulated formulations, respectively. GPS amount of 10% caused a decrease in dissolution albeit insignificant (p > 0.05). The polymorphic forms of RFX were α and γ in directly compressed and ethanol-granulated formulations, respectively. There was a decrease in dissolution rate and extent after exposure to 40 °C/75% RH in directly compressed formulations. On the other hand, only dissolution rate was affected in ethanol-granulated formulations. The dissolution ranged from 52.8 ± 2.0 to 70.0 ± 3.0% in directly compressed formulations after four weeks exposure to 40 °C/75% RH exposure. A decrease in dissolution was linked to polymorphic transformation of the drug and GPS in the formulations after exposure to stability condition. XRPD and FTIR data indicated α to β transformation in directly compressed formulations while no polymorphic change was observed in ethanol-granulated formulations. In conclusion, this study clearly showed effect of formulation and manufacturing variables, and stability exposure on the polymorphic stability and dissolution of RFX, which may have clinical ramification.
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  • 文章类型: Journal Article
    当前的研究描述了使用HoribaLaqua双离子计对香蕉叶片中的K和Na进行定量的新颖而快速的方法。通过离子计测量的叶面K和Na含量与标准测试值显着相关,系数分别为0.83和0.46。与波数(1581至1583和3194至3410cm-1)和15个钠相关波数(3773至3996cm-1)的钾浓度相关的约48个吸光度值预测钾和钠含量,回归系数分别为0.999和0.588。使用离子计对七个香蕉品种的鲜叶中的K和Na阳离子进行了定量,并发现了AAB组中香蕉品种之间叶面钾和钠含量差异的新信息。Rasbali(丝绸亚组)品种比Amti(Mysore亚组)具有更多的钾(5413mg/L)和钠(188mg/L)离子。
    The current study describes novel and quick methods for the quantification of K+ and Na+ in banana leaves using Horiba Laqua twin ion meters. Foliar K+ and Na+ content measured by ion meter significantly correlated with standard test values by coefficients of 0.83 and 0.46, respectively. About 48 absorbance values associated with potassium concentrations at wave numbers (1581 to 1583 and 3194 to 3410 cm-1) and 15 sodium associated wave numbers (3773 to 3996 cm-1) predicted potassium and sodium content with regression coefficients of 0.999 and 0.588, respectively. K+ and Na+ cations of fresh leaves in seven banana varieties were quantified using ion meters and new information of differences in the foliar potassium and sodium contents was found between banana varieties within the AAB group. The Rasbali (Silk subgroup) variety possessed greater potassium (5413 mg/L) and sodium (188 mg/L) ions than Amti (Mysore subgroup).
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