Characterization of Antioxidant Activity of Momordica Charantia Fruit by Infrared-Based Fingerprinting

Momordica charantia is widely consumed edible fruit. The food and pharmaceutical industries use it as a natural antioxidant. However, the quality control of M. charantia-based medicinal products is questionable due to the complexity of metabolites in this fruit. Hence, this study has developed a statistical model in predicting the antioxidant value through the 2, 2-diphenyl-1 picrylhydrazyl radical scavenging activity and ferric reducing antioxidant power based on infrared spectroscopy with attenuated total reflectance. This technique was reliably used for quality control. Six ethanol extracts (0, 20, 40, 60, 80, and 100% in water) of this plant’s fruit were prepared. The radical scavenging and ferric reducing antioxidant power activities were measured and the chemical profiling of the extracts was fingerprinted by infrared spectroscopy between 4,000 and 600?cm^?1 at a resolution of 4?cm^?1. Statistical analysis was developed by correlating the bioactivity and infrared spectra of each extract using orthogonal partial least square discriminant analysis. The C–N, C?O, C–O, C–H, and OH infrared signals were positively correlated with biological activity. The antioxidant activity of the fruit of M. charantia may be due to the presence of several antioxidants that work synergistically.     

Using FTIR spectroscopy to detect sericin on historic silk

Silks represent some of the most precious ancient and historic textile artefacts in collections worldwide.Their optimum preservation demands an appreciation of their characteristics.One important concern,especially with regard to ancient Chinese silks,is whether the fabrics have been degummed.Silks with remnant sericin gum coating the fibroin fibres would require different conservation protocol.In previous research on aged silks,the presence of sericin has been inferred from amino acid analysis of hydrolysa...     

Performance measurement of sericin-coated silks during aging

Silks are among the most precious ancient and historic artefacts worldwide. While washing removes the natural gum from the fibres during the fabrication of most silk textiles, for a small proportion of historic silks some or perhaps all of the sericin still remains. This paper investigated the effect of sericin coating on the aging of silk fibroin by means of ATR and tensile testing. The results show that sericin can provide some extent of protection from light and heat aging. However, in high humidity envi...     

Chemical Evaluation,In Vitro and In Vivo Anticancer Activity of Lavandula angustifolia Grown in Jordan

Lavandula angustifolia is the most widely cultivated Lavandula species for medicinal use. In this study, chemical and biological evaluation of L. angustifolia aqueous, methanol (MeOH), ethanol (EtOH), ethyl acetate (EtOAc), and chloroform (CHCl₃) extracts were conducted. Phytochemically, the extracts’ total phenol and flavonoid contents and their antioxidant potential were evaluated. Ethanol extract was analyzed by LC-MS. All extracts were screened in vitro for their antitumor potential using human breast cancer cell lines MCF-7 and MDA-MB-23. For the first time, the antiproliferative potential of the EtOH extract was tested in vivo using mice with induced breast cancer. Ethanol extract exhibited the best cytotoxicity and safety profile of the tested extracts, with IC₅₀ values of 104.1 µg/mL on MCF-7 and 214.5 µg/mL on MDA-MB-231 cell lines, respectively. In vivo, this extract revealed a reduction in tumor size by 43.29% in the treated group, compared to an increase in the tumor growth by 58.9% in the control group. Moreover, undetected tumor was found in 12.5% of the sample size. In conclusion, this study provides novel insight and evidence on the antiproliferative efficacy of L. angustifolia ethanol extract against breast cancer with potent anti-oxidant potential.     

ATR-FTIR技术用于酒精饮品中乙醇含量的快速测定

建立了快速测定酒精饮品中乙醇含量的衰减全反射-傅立叶变换红外光谱(ATR-FTIR)法.以ZnSe槽形板为ATR晶体,以水为背景采集样品的FTIR图.以1045 cm-1的C-OH伸缩振动为特征峰,用部分峰面积表示整个吸光度以消除肩峰干扰,分别建立了低浓度区(0～24%(V/V))和高浓度区(24%～84%(V/V))两条标准曲线,其线性相关系数均大于0.999,乙醇水溶液的检测限为0.20%.对啤酒、干红葡萄酒以及白酒的分析表明,该方法准确、快速、方便,适用于酒精饮品中乙醇含量的快速测定.     

HATR-FTIR-排序法识别中药材紫花地丁及其伪品的研究

采用水平衰减全反射傅里叶变换红外光谱(HATR-FTIR)法测定了紫花地丁及其伪品如白花地丁、犁头草、辽宁堇菜及匍伏堇的根木质部和茎外表皮部的傅里叶变换红外光谱,采用主成分分析法(PCA)比较了正伪品之间的差异程度。结果表明：基于傅里叶变换红外光谱的主成分分析在反映同科同属不同种植物化学组成差异程度上具有应用价值。     

Microsampling for infrared spectroscopy — A comparison of different techniques for HPLC- and TLC-fractions

Infrared Spectroscopy can be employed for the identification of HPLC-and TLC-fractions. Different microsampling techniques with compound isolation were considered: transmittance measurements using micropellets and microcells with enriched solutions; other experiments were done with accessories for diffuse reflectance. The performance of the techniques is limited by the isolation step. The identification limits for ideal samples (about 50 ng) can be one order of magnitude lower than for Chromatographic fractions due to sample handling problems.     

近红外光谱法测定卷烟中多酚类物质含量的研究

利用烟草样品的近红外漫反射光谱,通过化学计量学的方法,建立了卷烟中多酚类物质的近红外数学模型.结果表明,绿原酸、新绿原酸和芸香苷近红外数学模型外部验证的平均相对误差和变异系数(RSD)均在5%以内,说明该模型准确性和稳定性均很好,可以用来快速、准确,无污染地测定卷烟中多酚类物质含量.     

Measurement of Water Diffusion Through Cellophane Using Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy

A method for measuring diffusion using a simple ATR device is demonstrated using water swollen cellophane film. The diffusion coefficient (D=0.56×10^–9 m² s^–1) was comparable to previously published results for similar samples, but significantly different from recent measurements by NMR imaging on identical samples. An explanation is proposed based on cellophane morphology and diffusion through pores.     

Chemical Profiles,In Vitro Antioxidant and Antifungal Activity of Four Different Lavandula angustifolia L. EOs

Lavandula angustifolia L., known as lavender, is an economically important Lamiaceae due to the production of essential oils (EOs) for the food, cosmetic, pharmaceutical and medical industries. The purpose of this study was to determine the chemical composition of EOs isolated from four inflorescences of L. angustifolia L. collected in different geographical areas: central-southern Italy (LaCC, LaPE, LaPS) and southern France (LaPRV). The essential oils, obtained by steam distillation from plants at the full flowering stage, were analyzed using gas chromatography coupled with mass spectrometry (GC-MS). More than 70 components identified in each sample showed significant variability among the main constituents. The four EOs analyzed contained the following as main component: linalool (from 30.02% to 39.73%), borneol (13.65% in LaPE and 16.83% in La PS), linalyl acetate (24.34% in LaCC and 31.07% in LaPRV). The EOs were also evaluated for their in vitro antifungal activity against two white rot fungi (Phanerochaete chrysosporium and Trametes cingulata) as potential natural biodeteriogens in the artworks field, and against Sclerotium rolfsii, Botrytis cinerea and Fusarium verticilloides responsible for significant crop yield losses in tropical and subtropical areas. The results confirm a concentration-dependent toxicity pattern, where the fungal species show different sensitivity to the four EOs. The in vitro antioxidant activity by DPPH assay showed better scavenging activity on LaCC (IC₅₀ 26.26 mg/mL) and LaPRV (IC₅₀ 33.53 mg/mL), followed by LaPE (IC₅₀ 48.00 mg/mL) and LaPS (IC₅₀ 49.63 mg/mL). The potential application of EOs as a green method to control biodeterioration phenomena on a work of art on wood timber dated 1876 was evaluated.     

A review of advances in two-dimensional thin-layer chromatography

Although there are many simple thin-layer chromatography (TLC) separations, many more are complex and involve more than a few components, that means having to use special high-performance TLC (HPTLC) plates or microspotting or banding devices to increase its resolving power if developing in only one direction. However, adding a second development to perform two-dimensional TLC (2D TLC) allows even better resolution of complex samples. This is because different modes of chromatography are being invoked by the use of one stationary phase with two mobile phases, bilayer plates, graft TLC, or multidimensional TLC. This paper is a review of recent applications that have benefitted from using 2D TLC in its various forms. They were chosen for their variety of sample types as well as the unique choices of plates and/or mobile phases made by the researchers to yield improved separations.     

中红外、近红外和拉曼光谱法测定商品农药制剂中氰戊菊酯和马拉硫磷的含量

利用近红外、中红外和拉曼光谱法定量分析了商品农药制剂中有效成分氰戊菊酯和马拉硫磷的含量.采用偏最小二乘法(Partial least squares,PLS)建立氰戊菊酯和马拉硫磷的定量模型并进行了优化,用独立检验集对模型适应性进行评价.近红外和中红外法测定氰戊菊酯、马拉硫磷定量模型的相关系数分别是0.9981,0.9994和0.9946,0.9998,外部验证集标准差分别是0.082,0081和0.092,0.075,两种方法的定量效果接近;拉曼法氰戊菊酯和马拉硫磷定量模型的相关系数分别为0.9872和0.9993,外部验证集标准差分别为0.254和0.317,预测精度不及近红外和中红外法高.MIR-ATR,NIR和Raman 3种方法均能满足现场检测农药质量的需要.     

Nondestructive and Rapid Probing of Biochemical Response of Arsenic Stress on the Leaves of Wheat Seedlings Using Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

The goal of the current study is to characterize the changes in the biochemical composition of the leaves of wheat seedlings stressed by arsenic at concentrations of 0.2, 0.3, 0.4, and 0.5?mM using laser induced chlorophyll fluorescence and attenuated total reflectance Fourier transform infrared spectroscopy. The chlorophyll fluorescence spectra of the leaves of control and arsenic treated wheat seedlings showed increase in the intensity and intensity ratios of chlorophyll fluorescence bands indicating decrease in the photosynthesis performance and chlorophyll content of the leaves of wheat seedlings treated with arsenic. The infrared spectra of the leaves of control and arsenic treated wheat seedlings were obtained from 4000 to 485?cm^?1 at a resolution of 4?cm^?1. Multivariate principle component analysis of the preprocessed spectra suggest significant biochemical discrimination between the control and arsenic treated seedlings. Arsenic treatment decreased the concentration of cellulose while increasing the pectin, hemicellulose, xyloglucan, and lignin levels in the wheat seedling leaves. The exposure to arsenic also increased the spectral signatures of α-helix, β-sheet, amino acids, glutathione, lipids, and carboxyl compounds. These changes in the biochemicals indicate their physiological roles in mediating arsenic stress in wheat seedlings. The study also demonstrates the applicability of spectroscopic techniques for the non-invasive and rapid monitoring of the metabolism and physiology of the vegetation stressed by metals and metalloids before visual signs of toxicity appear.     

傅立叶变换拉曼光谱和红外光谱鉴别塑料

用傅立叶变换拉曼光谱、衰减全反射红外光谱和近红外光谱结合OPUS/Ident软件对添加不同填料、不同助剂的塑料进行鉴别分类。结果表明:分子光谱结合化学计量学鉴别塑料是一种快速可靠的方法。其中拉曼光谱和衰减全反射红外光谱能够直接区分样品,而近红外光谱非常类似,不能直接区分。但是用OPUS/Ident软件中的W ard算法处理这3种光谱后,得到的树形图能够将样品准确分类。     

Characterization of the Phenolics and Free Radical Scavenging of Romanian Red Wine

The goal of the present work was to study the influence of winemaking procedures and the effect of bottle-aging on the antioxidant activity and on the variation of low molecular weight phenolics of Feteasca Neagra and Negru Aromat red wine from the Valea Calugareasca vineyard, Romania. The free radical-scavenging activity was measured using the 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) radical from bottles sampled every 3 months up to the 9th month. The results indicated that Negru Aromat obtained by classical maceration had the highest activity at 6th month. The high-performance liquid chromatography results showed that the most abundant low molecular weight phenolic compounds were catechin, (?)-epicatechin, gallic acid, malvidin, and peonidin 3-O-glucoside. For the phenolics, Feteasca Neagra prepared by classical maceration and Negru Aromat by run-off juice were the richest. For anthocyanidins, the Feteasca Neagra and Negru Aromat wine by classical maceration had the highest concentrations. These results suggest that classical maceration is the winemaking procedure of choice to obtain the highest quality wine from the Valea Calugareasca vineyard.     

Characterization of the Release of Urea from Coated Fertilizer by Fourier Transform Infrared Spectroscopy with Attenuated Total Reflectance

The development of a simple and cost-effective method for the determination of the release of coated urea has significant implications. Fourier-transform infrared spectroscopy with attenuated total reflectance was employed to determine the release of urea through univariate and multivariate calibration. The results indicated that univariate calibration did not accurately predict the release of urea, whereas partial least squares based on multivariate calibration performed significantly better. Partial least squares had the highest accuracy when the band located at 1420–1520 per centimeter was employed as the input. Moreover, the accuracy was further improved when segmented partial least squares models were developed at low and high urea concentrations. Unsegmented and segmented partial least squares models were employed, and release values were comparable to those measured by colorimetry. This work demonstrated the use of infrared spectroscopy and partial least squares to characterize the release of coated urea.     

Comparison of Vibrational Spectroscopic Techniques for Quantification of Water in Natural Deep Eutectic Solvents

Vibrational spectroscopic techniques, i.e., attenuated total reflectance infrared (ATR-IR), near infrared spectroscopy (NIRS) and Raman spectroscopy (RS), coupled with Partial Least Squares Regression (PLSR), were evaluated as cost-effective label-free and reagent-free tools to monitor water content in Levulinic Acid/L-Proline (LALP) (2:1, mol/mol) Natural Deep Eutectic Solvent (NADES). ATR-IR delivered the best outcome of Root Mean Squared Error (RMSE) of Cross-Validation (CV) = 0.27% added water concentration, RMSE of Prediction (P) = 0.27% added water concentration and mean % relative error = 2.59%. Two NIRS instruments (benchtop and handheld) were also compared during the study, respectively yielding RMSECV = 0.35% added water concentration, RMSEP = 0.56% added water concentration and mean % relative error = 5.13% added water concentration, and RMECV = 0.36% added water concentration, RMSEP = 0.68% added water concentration and mean % relative error = 6.23%. RS analysis performed in quartz cuvettes enabled accurate water quantification with RMECV = 0.43% added water concentration, RMSEP = 0.67% added water concentration and mean % relative error = 6.75%. While the vibrational spectroscopic techniques studied have shown high performance in relation to reliable determination of water concentration, their accuracy is most likely related to their sensitivity to detect the LALP compounds in the NADES. For instance, whereas ATR-IR spectra display strong features from water, Levulinic Acid and L-Proline that contribute to the PLSR predictive models constructed, NIRS and RS spectra are respectively dominated by either water or LALP compounds, representing partial molecular information and moderate accuracy compared to ATR-IR. However, while ATR-IR instruments are common in chemistry and physics laboratories, making the technique readily transferable to water quantification in NADES, Raman spectroscopy offers promising potential for future development for in situ, sample withdrawal-free analysis for high throughput and online monitoring.     

Chemical Composition of the Essential Oil of the New Cultivars of Lavandula angustifolia Mill. Bred in Ukraine

Lavender, otherwise known as Lavandula angustifolia Mill., is widely used in landscaping, and its oil is a valuable raw material used in many industries. Therefore, new varieties of this plant are bred. The essential oil composition obtained from fresh flowers of thirteen new Ukrainian cultivars of L. angustifolia were analysed by GC-MS, and eighty-two components were identified. Linalool and linalyl acetate were principal constituents of all of the samples, and ranged from 11.4% to 46.7% and 7.4% to 44.2%, respectively. None of the studied samples fulfilled the requirements of Ph. Eur. and ISO 3515:2002. The main reason was a high content of α-terpineol (0.5–4.5%) and/or terpinene-4-ol (1.2–18.7%). Our results are in line with multiple researchers showing that the studied lavender oils do not comply with the industry standards despite their authenticity. We also investigated the effect of the growth year on the chemical composition of five tested cultivars grown on the same plots and noticed a considerable variability between years. The obtained experimental data did not show a significant inter-year trend for the content changes of the major components. Our results allow us to deeply characterize the new cultivars and evaluate their oil for a possible use in the industry, or to designate them for future selective breeding.     

BiI3-nylon11纳米复合材料的XPS及ATR-IR分析

用X射线光电子能谱法（XPS）测定了BiI₃与nylon11作用生成纳米复合材料后聚合物中酰胺基团的N、O内层能级电子结合能变化,同时用衰减全反射红外光谱法（ATR-IR）研究了BiI₃-nylon11复合材料中BiI₃对尼龙酰胺基团之间氢键作用的影响.结果表明,与纯nylon11聚合物相比,BiI₃-nylon11纳米复合材料中N1s、O1s的结合能要稍高一些;N-H伸缩振动、酰胺I谱带、酰胺II谱带振动频率在X射线照射前均发生显著位移,而X射线照射后没有明显的变化,只是谱带变宽.另一方面,无论X射线照射与否,CH₂伸缩振动基本不变.实验所得结果对于理解聚合物中氢键相互作用及其对复合材料的结构和性能的影响有一定意义.     

Chemical Profile,In Vitro Biological Activity and Comparison of Essential Oils from Fresh and Dried Flowers of Lavandula angustifolia L.

The chemical composition of essential oils (EOs) from dried and fresh flowers of Lavandula angustifolia L. (lavender), named LA 2019 and LA 2020, respectively, grown in central Italy was analyzed and compared by GC and GC-MS. For both samples, 61 compounds were identified, corresponding to 97.9% and 98.1% of the total essential oils. Explorative data analysis, performed to compare the statistical composition of the samples, resulted in a high level of global similarity (around 93%). The compositions of both samples were characterized by 10 major compounds, with a predominance of Linalool (35.3–36.0%), Borneol (15.6–19.4%) and 1,8-Cineole (11.0–9.0%). The in vitro antibacterial activity assay by disk diffusion tests against Bacillus subtilis PY79 and Escherichia coli DH5α showed inhibition of growth in both indicator strains. In addition, plate counts revealed a bactericidal effect on E. coli, which was particularly noticeable when using oil from the fresh lavender flowers at the highest concentrations. An in vitro antifungal assay showed that the EOs inhibited the growth of Sclerotium rolfsii, a phytopathogenic fungus that causes post-harvest diseases in many fruits and vegetables. The antioxidant activity was also assessed using the ABTS free radical scavenging assay, which showed a different antioxidant activity in both EOs. In addition, the potential application of EOs as a green method to control biodeterioration phenomena on an artistic wood painting (XIX century) was evaluated.