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1.
Food Chem ; 450: 139195, 2024 Aug 30.
Artículo en Inglés | MEDLINE | ID: mdl-38615525

RESUMEN

The characterization of structure of organic salts in complex mixtures has been a difficult problem in analytical chemistry. In the analysis of Scutellariae Radix (SR), the pharmacopoeia of many countries stipulates that the quality control component is baicalin (≥9% by high performance liquid chromatography (HPLC)). The component with highest response in SR was also baicalin detected by liquid chromatography-mass spectrometry (LC-MS). However, in the attenuated total reflection Fourier transform infrared spectroscopy, the carbonyl peak of glucuronic acid of baicalin did not appear in SR. The results of element analysis, time of flight secondary ion mass spectrometry, matrix assisted laser desorption ionization mass spectrometry and solid-state nuclear magnetic resonance all supported the existence of baicalin magnesium salt. Based on this, this study proposes an analysis strategy guided by infrared spectroscopy and combined with multi-spectroscopy techniques to analyze the structure of organic salt components in medicinal plant. It is meaningful for the research of mechanisms, development of new drugs, and quality control.


Asunto(s)
Plantas Medicinales , Plantas Medicinales/química , Espectroscopía Infrarroja por Transformada de Fourier , Cromatografía Líquida de Alta Presión , Flavonoides/química , Flavonoides/análisis , Scutellaria baicalensis/química , Espectroscopía de Resonancia Magnética , Sales (Química)/química , Espectrometría de Masa por Láser de Matriz Asistida de Ionización Desorción , Espectrometría de Masas , Extractos Vegetales/química , Estructura Molecular
2.
Appl Spectrosc ; 77(7): 774-785, 2023 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-37101402

RESUMEN

Herbal powder preparations (HPPs) are common forms of traditional medicine made by blending the powder of two or more ingredients. The first step to ensure the safety and efficacy of HPPs is to confirm the prescribed ingredients and screen the abnormal ingredients. With the help of attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR) imaging or mapping, the particles of different ingredients in an HPP sample can be measured individually. In this way, the overlapped absorption signals of different ingredients in the ATR FT-IR spectrum of the bulk sample can be isolated in the ATR FT-IR spectra of the microscopic particles, which leads to the substantial increase of the specificity and sensitivity of the infrared spectral identification method. The characteristic particles of each ingredient can be identified by the objective comparison of the microscopic ATR FT-IR spectra against the reference spectra based on the correlation coefficients. Since the ATR FT-IR imaging or mapping tests of HPPs are free of the separation preprocess, multiple organic and inorganic ingredients are able to be recognized by a single identification procedure simultaneously rather than by different separation and identification procedures. As an example, the ATR FT-IR mapping method was used in this research to successfully identify three prescribed ingredients and two abnormal ingredients in oral ulcer pulvis, which is a classic HPP for oral ulcer in traditional Chinese medicine. The results show the feasibility of the ATR FT-IR microspectroscopic identification method for the objective and simultaneous identification of the prescribed and abnormal ingredients of HPPs.


Asunto(s)
Úlceras Bucales , Humanos , Espectroscopía Infrarroja por Transformada de Fourier/métodos , Polvos , Análisis de Fourier
4.
J Food Sci ; 83(6): 1605-1612, 2018 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-29786845

RESUMEN

Extra virgin olive oil has been one of the most common targets for economically motivated food adulteration. This research employed the hand-held FTIR spectrometer to develop the simple and portable screening methods for extra virgin olive oils adulterated with other cheaper vegetable oils. With the help of the ATR probe and chemometrics tools, oil samples can be measured directly without any pretreatment, then the spectra can be interpreted automatically to determine the possibility of adulteration and estimate the content of adulterant oil. A feasibility study of the hand-held FTIR screening method was carried out using olive oils adulterated with canola oil, peanut oil, corn oil, soybean oil, and sunflower oil. The SIMCA model using the hand-held FTIR spectra can identify different kinds of vegetable oils correctly and recognize olive oils with not less than 10% of adulterant oils. Meanwhile, the content of adulterant oil in the range of 5% to 45% can be estimated by the PLS model using the hand-held FTIR spectra within an error of 3%. This research shows the potential of the hand-held FTIR technique in the rapid and field screening of olive oils adulterated with some cheaper vegetable oils. PRACTICAL APPLICATION: This research provide a rapid and automatic detection method for olive oils adulterated with other cheaper vegetable oils. An oil sample can be measured directly within one minute, and the hand-held instrument can be used anywhere needed.


Asunto(s)
Contaminación de Alimentos/análisis , Aceite de Oliva/análisis , Espectroscopía Infrarroja por Transformada de Fourier , Aceite de Maíz/análisis , Análisis de los Alimentos , Aceites de Plantas/análisis , Aceite de Soja/análisis , Aceite de Girasol
5.
Spectrochim Acta A Mol Biomol Spectrosc ; 192: 93-100, 2018 Mar 05.
Artículo en Inglés | MEDLINE | ID: mdl-29126014

RESUMEN

As a kind of common prescriptions, Shaoyao-Gancao-Tang (SGT) contains two Chinese herbs with four different proportions which have different clinical efficacy because of their various components. In order to investigate the herb-herb interaction mechanisms, we used the method of tri-level infrared macro-fingerprint spectroscopy to evaluate the concentration change of active components of four SGTs in this research. Fourier transform infrared spectroscopy (FT-IR) and Second derivative infrared spectroscopy (SD-IR) can recognize the multiple prescriptions directly and simultaneously. 2D-IR spectra enhance the spectral resolution and obtain much new information for discriminating the similar complicated samples of SGT. Furthermore, the whole analysis method from the analysis of the main components to the specific components and the relative content of the components may evaluate the quality of TCM better. Then we concluded that paeoniflorin and glycyrrhizic acid were the highest proportion in active ingredients in SGT-12:1 and the lowest one in SGT-12:12, which matched the HPLC-DAD results. It is demonstrated that the method composed by the tri-level infrared macro-fingerprint spectroscopy and the whole analysis can be applicable for effective, visual and accurate analysis and identification of very complicated and similar mixture systems of traditional Chinese medicine.


Asunto(s)
Composición de Medicamentos , Medicamentos Herbarios Chinos/química , Glucósidos/análisis , Ácido Glicirrínico/análisis , Monoterpenos/análisis , Espectroscopía Infrarroja por Transformada de Fourier/métodos , 1-Butanol/química
6.
Anal Bioanal Chem ; 409(11): 2893-2904, 2017 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-28188353

RESUMEN

A formula granule is a traditional Chinese medicine preparation made from the decoction of a single herbal medicinal. Because of the flexibility for combination and the convenience for utilization, formula granules are becoming popular in clinical applications. However, the efficacy and safety of commercial formula granules often suffer from the improper addition of carbohydrate excipients. Therefore, the detection of carbohydrate excipients is indispensable for the quality control of formula granules. FTIR spectroscopy has been used for the detection of carbohydrate excipients in formula granules. But the overlapped absorption signals limit the sensitivity and specificity of detection. Besides, a large number of multivariate calibration models are needed for quantitative determination. To overcome the above disadvantages, this research utilizes FTIR microspectroscopy for the model-free and universal detection of carbohydrate excipients in formula granules. Using ATR-FTIR imaging, excipient particles and herbal extract particles in formula granules can be measured individually, which resolves the absorption signals of excipients and herbal extract spatially and thus improves the sensitivity and specificity of detection. The content of excipients can be estimated directly from the number of excipient particles, which is robust to the variations of herb extracts and free of calibration models. The case study of Gardeniae Fructus formula granules shows the potential of FTIR microspectroscopy in the direct and rapid detection of carbohydrate excipients in formula granules. Graphical Abstract Excipient particles in TCM formula granules can be measured and recognized individually by FTIR microspectroscopy.


Asunto(s)
Carbohidratos/análisis , Carbohidratos/química , Composición de Medicamentos/métodos , Contaminación de Medicamentos/prevención & control , Medicamentos Herbarios Chinos/química , Excipientes/análisis , Espectroscopía Infrarroja por Transformada de Fourier/métodos , Medicamentos Herbarios Chinos/análisis , Excipientes/química , Modelos Químicos , Imagen Molecular/métodos , Reproducibilidad de los Resultados , Sensibilidad y Especificidad
7.
Food Chem ; 212: 469-75, 2016 Dec 01.
Artículo en Inglés | MEDLINE | ID: mdl-27374557

RESUMEN

Fourier transform near-infrared (NIR) and mid-infrared (MIR) imaging techniques are essential tools to characterize the chemical morphology of plant. The transmission imaging mode is mostly used to obtain easy-to-interpret spectra with high signal-to-noise ratio. However, the native chemical compositions and physical structures of plant samples may be altered when they are microtomed for the transmission tests. For the direct characterization of thick plant samples, the combination of the reflection NIR imaging and the attenuated total reflection (ATR) MIR imaging is proposed in this research. First, the reflection NIR imaging method can explore the whole sample quickly to find out typical regions in small sizes. Next, each small typical region can be measured by the ATR-MIR imaging method to reveal the molecular structures and spatial distributions of compounds of interest. As an example, the chemical morphology of Areca nut section is characterized directly by the above approach.


Asunto(s)
Areca/química , Nueces/química , Extractos Vegetales/análisis , Espectroscopía Infrarroja Corta/métodos , Análisis de Fourier , Microespectrofotometría/métodos , Estructura Molecular , Relación Señal-Ruido , Espectroscopía Infrarroja por Transformada de Fourier/métodos
8.
Spectrochim Acta A Mol Biomol Spectrosc ; 165: 176-182, 2016 08 05.
Artículo en Inglés | MEDLINE | ID: mdl-27156099

RESUMEN

Herbal powder preparation is a kind of widely-used herbal product in the form of powder mixture of herbal ingredients. Identification of herbal ingredients is the first and foremost step in assuring the quality, safety and efficacy of herbal powder preparations. In this research, Fourier transform infrared (FT-IR) microspectroscopic identification method is proposed for the direct and simultaneous recognition of multiple organic and inorganic ingredients in herbal powder preparations. First, the reference spectrum of characteristic particles of each herbal ingredient is assigned according to FT-IR results and other available information. Next, a statistical correlation threshold is determined as the lower limit of correlation coefficients between the reference spectrum and a larger number of calibration characteristic particles. After validation, the reference spectrum and correlation threshold can be used to identify herbal ingredient in mixture preparations. A herbal ingredient is supposed to be present if correlation coefficients between the reference spectrum and some sample particles are above the threshold. Using this method, all kinds of herbal materials in powder preparation Kouqiang Kuiyang San are identified successfully. This research shows the potential of FT-IR microspectroscopic identification method for the accurate and quick identification of ingredients in herbal powder preparations.


Asunto(s)
Medicamentos Herbarios Chinos/química , Espectroscopía Infrarroja por Transformada de Fourier/métodos , Algoritmos , Polvos , Control de Calidad
9.
Artículo en Inglés | MEDLINE | ID: mdl-26439523

RESUMEN

As complicated mixture systems, active components of Chuanxiong Rhizoma are very difficult to identify and discriminate. In this paper, the macroscopic IR fingerprint method including Fourier transform infrared spectroscopy (FT-IR), the second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2DCOS-IR), was applied to study and identify Chuanxiong raw materials and its different segmented production of HPD-100 macroporous resin. Chuanxiong Rhizoma is rich in sucrose. In the FT-IR spectra, water eluate is more similar to sucrose than the powder and the decoction. Their second derivative spectra amplified the differences and revealed the potentially characteristic IR absorption bands and combined with the correlation coefficient, concluding that 50% ethanol eluate had more ligustilide than other eluates. Finally, it can be found from 2DCOS-IR spectra that proteins were extracted by ethanol from Chuanxiong decoction by HPD-100 macroporous resin. It was demonstrated that the above three-step infrared spectroscopy could be applicable for quick, non-destructive and effective analysis and identification of very complicated and similar mixture systems of traditional Chinese medicines.


Asunto(s)
Medicamentos Herbarios Chinos/análisis , Espectroscopía Infrarroja por Transformada de Fourier/métodos , 4-Butirolactona/análogos & derivados , 4-Butirolactona/análisis , Porosidad , Resinas Sintéticas/química , Sacarosa/análisis
10.
Guang Pu Xue Yu Guang Pu Fen Xi ; 36(4): 948-54, 2016 Apr.
Artículo en Chino | MEDLINE | ID: mdl-30048088

RESUMEN

The accurate identification of traditional Chinese medicine (TCM) which collected from different producing areas is important for its quality control and clinical effects. In the present study, Fourier transform infrared spectroscopy (FTIR) combined with second derivative spectra were used to identify and analyze H. rhamnoides subsp. sinensis from different producing areas. The characteristic absorption peaks, including 2 925, 2 854, 1 743, 1 541 and 1 173 cm-1 belonging to fatty acids, flavonoids and saccharides appear in all 20 samples. But the absorption peak intensities and locations varied due to the different geographical regions. The results also showed that the absorption peaks at the range of 3 429~3 336 and 1 744 cm-1 were important characteristic absorption peaks which can identify H. rhamnoides subsp. sinensis from different producing areas. Also, absorption peaks at 1 030 and 1 516 cm-1 further confirmed the existence of flavonoids in all samples by comparing the second derivative infrared spectra in the range of 1 800~1 000 cm-1. However, the samples' differences can be intuitively found around peaks 1 711, 1 476 cm-1 and ranges from 1 689~1 515 and 1 400~1 175 cm-1. The results demonstrated that FTIR was a simple, convenient, fast and intuitive approach to identify and analyze H. rhamnoides subsp. sinensis from different producing areas. This method provides foundations for the analysis of chemical compositions and quality control for the TCM.


Asunto(s)
Flavonoides/análisis , Medicina Tradicional China , Espectroscopía Infrarroja por Transformada de Fourier , Carbohidratos , Control de Calidad
11.
Guang Pu Xue Yu Guang Pu Fen Xi ; 36(4): 1230-4, 2016 Apr.
Artículo en Chino | MEDLINE | ID: mdl-30052353

RESUMEN

Cordyceps sinensis is a well-known traditional Chinese medicine; it is also called DongChongXiaCao (winter worm summer grass) in Chinese. Mannitol and cordycepin, the most important two pharmacological active components of cordyceps sinensis, were studied with TOF-SIMS. This Study was focused on the chemical information including 251 amu mass peak. Based on high mass resolution of TOF-SIMS analysis, the fragment ions of 251 and 252 amu detected in Cordyceps sinensis may not be the molecular ion M+ and/or[M+H]+ of cordycepin, which ispossiblely the root cause of the argument in the study of cordycepin in published papers .It could be a basis for further study of cordycepin components of cordyceps sinensis in the future. The 181amu mass peak of minus ion in mannitol was also studied in detail and was certified to be a reliable evidence of mannitol. This research shows that TOF-SIMS has been proven as an effective method in the study of cordyceps sinensis.

12.
Zhongguo Zhong Yao Za Zhi ; 41(8): 1485-1492, 2016 Apr.
Artículo en Chino | MEDLINE | ID: mdl-28884544

RESUMEN

Armand clematis stem (Clematidis Armandii Caulis, Chuanmutong) is a widely used Chinese herb to disinhibit urine and relieve stranguria. It is difficult to be identified owing to its various macroscopic feature and unknown characteristic compounds. Thus, total of 24 Chuanmutong samples and 7 related herbs including four manshurian aristolochia stem (Aristolochiae Manshuriensis Caulis, Guanmutong) and three akebia stem (Akebiae Caulis, Mutong) samples were collected and analyzed in the range of 4 000 - 400 cm⁻¹ by Fourier Transform Infrared (FTIR) and two-dimensional infrared correlation spectroscopy (2D-FTIR) techniques. The FTIR spectra of 24 Chuanmutong samples are consistent in the spectrum profiles, position and intensity of characteristic peaks. 20 of the 24 Chuanmutong samples were randomly selected as calibration samples to calculate and simulate mean spectrum. This mean spectrum is named as FTIR fingerprint of Chuanmutong with characteristic peaks at 3 412, 2 932, 1 739, 1 639, 1 509, 1 456, 1 426, 1 376, 1 332, 1 261, 1 159, 1 035, 897 ,609 cm⁻¹. Meanwhile, the limited level (Mean-3σ=0.992 6) to identify true or false Chuanmutong by correlation coefficient of FTIR spectra was calculated based on the 20 Chuanmutong calibration samples. Then, the rest 4 Chuanmutong, 4 Guanmutong and 3 Mutong samples were used as validation samples to evaluate the identification efficacy. The result shows that the FTIR spectra of 4 Chuanmutong validation samples were similar to the fingerprint. Their correlation coefficients of FTIR spectra were over the limited level and accepted as Chuanmutong. However, the spectra of Guanmutong and Mutong were significantly different from Chuanmutong fingerprint. The correlation coefficients of Guanmutong (0.902 1-0.940 4, n=4) and Mutong (0.954 9-0.978 9, n=3) FTIR spectra were less than the limited level and rejected from Chuanmutong. Furthermore, the number, position and intensity of auto-peaks on the 2D-FTIR were drastically different among the three herbs. It is concluded that the developed FTIR fingerprinting can be rapidly and accurately identify Chuanmutong and differentiate from related herbs.


Asunto(s)
Clematis/química , Medicamentos Herbarios Chinos/química , Tallos de la Planta/química , Aristolochia/química , Asteraceae/química , Espectrofotometría Infrarroja , Espectroscopía Infrarroja por Transformada de Fourier
13.
Guang Pu Xue Yu Guang Pu Fen Xi ; 34(9): 2429-33, 2014 Sep.
Artículo en Chino | MEDLINE | ID: mdl-25532339

RESUMEN

Semen Glycines Nigrae and Semen Pharbitidis containing a large amount of fats and proteins are commonly used in Chinese herbal medicine. Tri-step infrared spectroscopy was applied to fast analyze and identify the two samples. In the conventional infrared spectroscopy, the samples both have obvious characteristic absorption peaks at 1,745 cm(-1) assigned to the stretching mode of C==O in esters. Furthermore, the two kinds of herbs have the peaks at 1,656 and 1,547 cm(-1) assigned to the amide I and II bands of protein. Obviously, the infrared spectra of herbs demonstrate that protein and fat is the major component in two kinds of herbs, and the relative intensity of the peaks assigned to fat and protein indicate their relative content is different. And the result is consistent with the reported. In the second derivative spectra, Semen Pharbitidis has a peak at 1,712 cm(-1) assigned to the organic acid, however, Semen Glycines Nigrae has not this absorption peak. In addition, in the second derivative spectra, appeared more differences between the two samples in shape and intensity of the peaks. In two-dimensional correlation infrared spectra, the two samples were visually distinguished due to their significant differences in auto-peak position and intensity. In the region of 1,500-1,700 cm(-1), Semen Glycines Nigrae has two autopeaks and Semen Pharbitidis has three autopeaks. In the region of 2,800-3,000 cm(-1), the samples both have two autopeaks, but the position of the strongest autopeak is different. It was demonstrated that the Tri-step infrared spectroscopy were successfully applied to fast analyze and identify the two kinds of samples containing the same major component, and made sure the foundation for future researches.


Asunto(s)
Convolvulaceae/clasificación , Glycine max/clasificación , Semillas/química , Espectrofotometría Infrarroja
14.
Guang Pu Xue Yu Guang Pu Fen Xi ; 34(9): 2434-8, 2014 Sep.
Artículo en Chino | MEDLINE | ID: mdl-25532340

RESUMEN

In this study, major chemical components of Flos rhododendri mollis and Flos chrysanthemi indici were characterized using Fourier transform infrared spectroscopy (FTIR). For Flos rhododendri mollis, the bands at 1,648 and 1,543 cm(-1) were attributed to amide I and amide II , respectively, indicating that it contained proteins probably resulting in immunization. In case of Flos chrysanthemi indici, stretching vibration of C==O function group was responsible for the bands at 1,734 and 1,515 cm(-1), as a result of essential oils, lipids, etc. Since FTIR spectra of Flos rhododendri mollis and Flos chrysanthemi indici are almost identical and it is difficult to discriminate them, two-step identification was investigated via secondary derivative of the FTIR spectra. The bands at 1,656 and 1,515 cm(-1) corresponds to flavonoides in Flos rhododendri mollis and Flos chrysanthemi indici. In the secondary derivative of the FTIR spectrum of Flos chrysanthemi indici, characteristic bands of inulin were present at 1,163, 1,077, 1,026, 986 and 869 cm(-1), and therefore Flos chrysanthemi indici contained inulin as well. Tri-step identification was carried out for Flos rhododendri mollis and Flos chrysanthemi indici by means of comparing their 2D-IR correlation spectra in different wave number range. In the characteristic range of flavonoides (1,700-1,400 cm(-1)), Flos rhododendri mollis exhibited 3 obvious autopeaks, while 10 autopeaks were visualized in the 2D-IR correlation spectrum of Flos chrysanthemi indici Moreover, in the characteristic range of glucoside (1,250-900 cm(-1)), 10 and 9 autopeaks were present in the 2D-IR correlation spectra of Flos rhododendri mollis and Flos chrysanthemi indici, respectively. Therefore, the tri-step identification of FTIR is a time-saving; accurate, cost-saving and convenient method to effectively distinguish traditional Chinese medicines.


Asunto(s)
Chrysanthemum/clasificación , Medicamentos Herbarios Chinos/análisis , Flores/química , Rhododendron/clasificación , Glucósidos/análisis , Aceites Volátiles/análisis , Espectroscopía Infrarroja por Transformada de Fourier
15.
Guang Pu Xue Yu Guang Pu Fen Xi ; 34(3): 634-7, 2014 Mar.
Artículo en Chino | MEDLINE | ID: mdl-25208380

RESUMEN

The techniques of Fourier transform infrared (FTIR) spectroscopy were applied to analyze the different parts and tissues of Panax Notoginseng (Sanqi, SQ), i.e. rhizome, main root, rootlet, fibrous root, xylem, cambium, phloem and epidermis. Both the FTIR spectra and second derivative spectra of these various parts and tissues of SQ samples were found to be similar. Their dominant component is starch resulting from the characteristic peaks of starch observed at 3 400, 2 930, 1 645, 1 155, 1,080 and 1,020 cm(-1) on the spectra of all these SQ samples. However, the varieties of peaks were found on the spectra among these specific samples. The rhizome contains more saponins than others on the basis of the largest ratio of the peak intensity at 1,077 cm(-1) to that at 1,152 cm(-1). The peaks located at 1 317 and 780 cm(-1) on the FTIR spectra of the rhizome and its epidermis indicate that the two parts of SQ samples contain large amount of calcium oxalate, and its content in the latter is relative larger than that in former. The fibrous root contains much amount of nitrate owing to the obvious characteristic peaks at 1 384 and 831 cm(-1). For the difference among the various tissues of SQ samples, the peaks at 2,926, 2,854 and 1,740 cm(-1) on the FTIR spectra of epidermis is the strongest among the various tissues of main root indicating the largest amount of esters in epidermis. Protein was also found in the cambium of the main root based on the relative strong peaks of amide I and II band at 1,641 and 1,541 cm(-1), respectively. The results indicate that FTIR spectra with its second derivative spectra can show the characteristic of the various parts and tissues of SQ samples in both the holistic chemical constituents and specific chemical components, including organic macromolecule compounds and small inorganic molecule compounds. FTIR spectroscopy is a useful analytical method for the genuine and rapid identification and quality assessment of SQ samples.


Asunto(s)
Panax notoginseng/química , Espectroscopía Infrarroja por Transformada de Fourier , Plantas Medicinales/química
16.
Guang Pu Xue Yu Guang Pu Fen Xi ; 34(5): 1217-21, 2014 May.
Artículo en Chino | MEDLINE | ID: mdl-25095410

RESUMEN

Infrared Spectroscopy (IR) integrated with two dimensional correlation infrared spectroscopy (2DCOS IR) was employed to rapidly discriminate Dendrobium loddigesii Rolfes (DR) from different regions and harvesting periods. The results showed that the IR peaks around 1 035, 1 051, 1 078, 1 156, 1 500, 1 511 and 1 736 cm-1had perceptible differences among DRs from different regions, indicating that different DRs containing remarkable different compositions and contents of polysaccharides, ketones and esters. 2DCOS IR spectra of DRs from Vietnam, Yunnan, Guangxi, Guizhou each had seven, eight, eight, nine auto peaks, respectively; furthermore, DRs from Guagnxi had the strongest peak in 1 220 cm-1, which was distinguish to those of other DRs (980 cm -1). In the IR spectra of DRs from different harvest seasons, the wave number of key peaks in (1 034 approximately1 023)cm- 1, the wave number of minor peaks in (1 6174)cm-1, as well as the presence of peaks in 1 078(1 076, 1 079)cm-1, showed obvious periodic changes with the seasons, which indicated the accumulation of polysaccharides and ketones from DRs displayed an evident periodic variability discipline. The application of FTIR in DRs could facilitate acquiring their growth conditions, composition and content changes, which would be significant in rational exploitations and utilizations of DR


Asunto(s)
Dendrobium/química , Espectroscopía Infrarroja por Transformada de Fourier , China , Dendrobium/clasificación , Ésteres/química , Cetonas/química , Plantas Medicinales/química , Polisacáridos/química , Estaciones del Año , Espectrofotometría Infrarroja
17.
Anal Bioanal Chem ; 406(18): 4513-25, 2014 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-24817363

RESUMEN

Finished herbal products (FHPs) are preparations made from one or more herbs. The first stage in assuring the quality, safety, and efficacy of FHPs is to identify the herbs in the products. A new simple and quick method is developed in this research to detect the marker ingredients in FHPs. The inherent chemical heterogeneity of herbs and FHPs makes it possible to resolve different ingredients, without any additional separation or labeling, by infrared microspectroscopic imaging. Therefore, multiple marker ingredients in FHPs can be recognized directly and simultaneously by the infrared microspectroscopic identification method. As an example, all six kinds of herbs in Liuwei Dihuang Wan are identified through the following steps: (1) Each herb is characterized by infrared spectroscopic imaging, then the spectra of the main ingredients are calculated by the combination of principal component analysis, independent component analysis, and alternating least squares. (2) One marker ingredient is chosen for each herb. Ten typical pixels, the spectra of which best match the calculated spectrum of the marker ingredient, are selected by partial least squares target. The average spectrum of the typical pixels is taken as the marker spectrum. (3) Correlation coefficients between the typical pixel spectra and the marker spectrum are calculated. The acceptance correlation threshold is determined through the beta distribution function and then validated by positive and negative samples. (4) Using the above marker spectra and correlation criteria, herbs in the model mixture and the commercial product are identified. Good recognition results reveal the potential of the infrared microspectroscopic identification method in the quality control of herbs and FHPs.


Asunto(s)
Medicamentos Herbarios Chinos/análisis , Medicamentos Herbarios Chinos/química , Espectrofotometría Infrarroja/métodos , Biomarcadores/análisis , Análisis de los Mínimos Cuadrados , Control de Calidad , Reproducibilidad de los Resultados , Tecnología Farmacéutica/métodos
18.
Guang Pu Xue Yu Guang Pu Fen Xi ; 34(2): 376-80, 2014 Feb.
Artículo en Chino | MEDLINE | ID: mdl-24822404

RESUMEN

Different geographical regions of traditional Chinese medicine (TCM), its chemical composition is different, the accumulation of drug and medicinal properties is different. The accurate identification and analysis of different production area of medicinal herbs is critical for the quality control and pharmacological research of TCM. In this paper, a tri-step infrared spectroscopy (Fourier transform infrared spectroscopy (FTIR) combined with second derivative spectra and two-dimensional correlation infrared spectroscopy (2D-COS) were employed to identify and analyze the main components of Hubei (HB), Anhui (AH), Yun-nan (YN) genuine Poria Cocos peels. The emergence of several characteristic absorption peaks of carbohydrates including 1149, 1079 1036 cm(-1), peaks around 1619, 1315, 780 cm(-1) belonged to calcium oxalate suggested that HB and AH Poria Cocos peels contained calcium oxalate, but peaks around 797, 779, 537, 470 cm(-1) belonged to kaoline suggested that YN Poria Cocos peels contained kaoline. Their carbohydrates were different by comparing the second derivative infrared spectra in the range of 1640-450 cm(-1) and Yongping come from YN contains both calcium oxalate and kaoline. Furthermore, the above differences were visually validated by two-dimensional correlation spectroscopy (2D-COS). It was demonstrated that the Tri-step infrared spectroscopy were successfully applied to fast analyze and identify Poria Cocos peels from different geographical regions and subsequently would be applicable to explain the relevance of geographical regions and medicinal properties for the TCM.


Asunto(s)
Poria/química , Espectroscopía Infrarroja por Transformada de Fourier , Productos Biológicos/química , Oxalato de Calcio/química , Carbohidratos/química , Medicina Tradicional China , Espectrofotometría Infrarroja
19.
Spectrochim Acta A Mol Biomol Spectrosc ; 128: 629-37, 2014 Jul 15.
Artículo en Inglés | MEDLINE | ID: mdl-24704479

RESUMEN

Microscopic identification using optical microscopes is a simple and effective method to identify powdered traditional medicines made from plants, animals and fungi. Sometimes, the criteria based on physical properties of the microscopic characteristics of drug powder may be ambiguous, which makes the microscopic identification method subjective and empirical to some extent. In this research, the vibrational microspectroscopic identification method is proposed for more explicit discrimination of powdered traditional medicines. The chemical micromorphology, i.e., chemical compositions and related physical morphologies, of the drug powder can be profiled objectively and quantitatively by infrared and Raman microspectroscopy, leading to better understanding about the formation mechanisms of microscopic characteristics and more accurate identification criteria. As an example, the powder of Poria, which is one of the most used traditional Chinese medicines, is studied in this research. Three types of hyphae are classified according to their infrared spectral features in the region from 1200 to 900 cm(-1). Different kinds of polysaccharides indicate that these hyphae may be in different stages of the growth. The granular and branched clumps observed by the optical microscope may be formed from the aggregation of the mature hyphae with ß-D-glucan reserves. The newfound spherical particles may originate from the exuded droplets in the fresh Poria because they are both composed of α-D-glucan. The results are helpful to understand the development of the hyphae and the formation of active polysaccharides in Poria and to establish accurate microspectroscopic identification criteria.


Asunto(s)
Polisacáridos Fúngicos/química , Poria/química , Medicina Tradicional China , Espectrometría Raman
20.
Chin J Integr Med ; 20(11): 829-34, 2014 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-24338184

RESUMEN

OBJECTIVE: To explore an approach to rapidly and accurately identify the compounds as biomarkers of Chinese medicine (CM) syndromes. METHOD: The Fourier transform infrared (FT-IR) spectrometry was applied to investigate the characteristic components of a mice model of Kidney (Shen)-yang deficiency syndrome (KDS), and the remedial effect of a typical CM formula Shenqi Pill (). Thirty-six females and 18 males of Balb/c mice were randomly divided into KDS, Shenqi or control group. The females and males of the same group freely were mated for 96 h, and the males were taken out and only the female mice were raised. Females of the KDS group were threatened by a ferocious cat every other day for 14 d. After delivery, the KDS, or gestational threatened, offspring were raised at standard condition for 11 weeks. Then 10 male offspring were randomly selected, anaesthetized and their representative organs, i.e. testes, kidneys, lungs and feet were collected, for the FT-IR scan. Mice of the Shenqi group were intragastric administered Shenqi Pill; while mice in the KDS and control groups were given the same volume of saline. RESULTS: The attenuated birth outcomes of the KDS group were displayed. The remarkable FT-IR differences of all organs between KDS mice and healthy control were mainly at 1,735-1,745 cm(-1) (indicating the increased levels of lipids) and at 1,640-1,647 cm(-1) and 1,539-1,544 cm(-1) (displaying the decreased proteins). No statistic FT-IR difference between Shenqi and control mice was observed. CONCLUSION: In accordance with major traits of KDS, prenatal stress extensively impaired the building up of proteins and resulting in the excessive lipid storage, and FT-IR could effectively identify the biomarkers of KDS.


Asunto(s)
Enfermedades Renales/patología , Espectroscopía Infrarroja por Transformada de Fourier/métodos , Deficiencia Yang/patología , Animales , Modelos Animales de Enfermedad , Medicamentos Herbarios Chinos/uso terapéutico , Femenino , Enfermedades Renales/tratamiento farmacológico , Masculino , Ratones , Ratones Endogámicos BALB C , Deficiencia Yang/tratamiento farmacológico
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