Aiming to ensure the consistency of quality control of Traditional Chinese Medicines(TCMs),a combination method of high-performance liquid chromatography(HPLC),ultraviolet(UV),electrochemical(EC)was developed in this ...Aiming to ensure the consistency of quality control of Traditional Chinese Medicines(TCMs),a combination method of high-performance liquid chromatography(HPLC),ultraviolet(UV),electrochemical(EC)was developed in this study to comprehensively evaluate the quality of Antiviral Mixture(AM),and Comprehensive Linear Quantification Fingerprint Method(CLQFM)was used to process the data.Quantitative analysis of three active substances in TCM was conducted.A fivewavelength fusion fingerprint(FWFF)was developed,using second-order derivatives of UV spectral data to differentiate sample levels effectively.The combination of HPLC and UV spectrophotometry,along with electrochemical fingerprinting(ECFP),successfully evaluated total active substances.Ultimately,a multidimensional profiling analytical system for TCM was developed.展开更多
In the present study, the nutritional compositions of maca which was grown in a mountain area at an elevation of 2 200-2 800 m of Ebian County,Sichuan Province were measured, and then HPLC analysis on two representati...In the present study, the nutritional compositions of maca which was grown in a mountain area at an elevation of 2 200-2 800 m of Ebian County,Sichuan Province were measured, and then HPLC analysis on two representative active compounds（macaene and macamide） in the maca sample was performed.The results revealed that there were 24.20% total protein, 18.40% total amino acids（including 3.84% arginine）, 42.80% total sugars, 1.36% fat and kinds of minerals（including 1.14% potassium） in Ebian maca. HPLC fingerprints of macaene and macamide of Ebian maca were similar to those of Peru maca. The results suggested that maca could be cultivated with good quality in some mountain areas with an altitude1 000 m lower than the origin place in Peru.展开更多
In this paper, we proposed a novel resolution criterion（improved calibrated normalized resolution product, r＊＇） to evaluate separation quality of fingerprints. By comparing with the calibrated normalized resolutio...In this paper, we proposed a novel resolution criterion（improved calibrated normalized resolution product, r＊＇） to evaluate separation quality of fingerprints. By comparing with the calibrated normalized resolution product（r＊） and the hierarchical chromatographic response function（HCRF）, the validity of this criterion was demonstrated by experimental chromatograms. The soy isoflavone extract was selected as the analytical object. The initial and end percentages of methanol and elution time affecting gradient elution were tested by orthogonal design. The final optimized conditions were as follows. It was detected by UV absorbance at 254 nm, column temperature was maintained at 36 oC, solvent A was 0.1%（v/v） acetic acid, solvent B was methanol, gradient elution was from 34% to 65% B in a linear gradient in 25 min, and the flow-rate was set at 1.0 m L/min. In addition, the main ingredients of the soy isoflavone extract were confirmed by LC-ESI/MS.展开更多
Aim To establish a method for determination of Ginkgo biloba L, its extractand preparations with HPLC fingerprints, so as to control the quality of the preparations. MethodsHPLC-DAD method was used to determine the co...Aim To establish a method for determination of Ginkgo biloba L, its extractand preparations with HPLC fingerprints, so as to control the quality of the preparations. MethodsHPLC-DAD method was used to determine the constituents in preparations. Diamonsil? C_(18) (200mm X 4.6 mm, 5 μm) was used as analytical column, and acetonitrile/KH_2PO_4 was used as mobilephase with gradient elu-tion. The column temperature was at 24 ℃. The HPLC profile of chemicalconstituents of control sample and preparations were analyzed using similarity software. Results Thefingerprints of different preparations from different companies were slightly different because ofthe different preparing procedures. Mean while, the fingerprints of different batches of the samepreparation from the same company were similar to each other and the technology of each preparationwas stable. Conclusion This method is accurate, reproducible , simple, and can be used as ananalytical method for the routine quality control of Ginkgo biloba preparations.展开更多
A simple and accurate high-performance liquid chromatography（HPLC）method to generate the fingerprints of crude Pu-erh tea（CPT）and ripened Pu-erh tea（RPT）is described.A suitable chromatographic system was establi...A simple and accurate high-performance liquid chromatography（HPLC）method to generate the fingerprints of crude Pu-erh tea（CPT）and ripened Pu-erh tea（RPT）is described.A suitable chromatographic system was established using a linear gradient elution with acetonitrile and water containing 0.6% formic acid as the mobile phase and a detection wavelength of 300 nm.HPLC analysis identified 24 common peaks among RPT and 21 common peaks among CPT.This study revealed that crude Pu-erh tea and ripened Pu-erh tea contained some similar major constituents,but with distinctive peaks,which may be caused by the difference in the fermentation process.This HPLC fingerprint method could be used to evaluate and authenticate crude Pu-erh tea and ripened Pu-erh tea.展开更多
In the present work, TiO2:Eu^(3+) (1 mol%e11 mol%) nano powders(NPs) were prepared via a facile one-pot hydrothermal method by using Epigallocatechin Gallate(EGCG) as bio-surfactant. The optimized TiO2:Eu^(3+) (5 mol%...In the present work, TiO2:Eu^(3+) (1 mol%e11 mol%) nano powders(NPs) were prepared via a facile one-pot hydrothermal method by using Epigallocatechin Gallate(EGCG) as bio-surfactant. The optimized TiO2:Eu^(3+) (5 mol%) NPs can be used as fluorescent labeling agent for visualizing of latent fingerprints(LFPs) on various porous and non-porous surfaces. The obtained results exhibit well defined ridge details with high sensitivity, selectivity, and low background hindrance which show greater advantages as compared to conventional powders. We demonstrated the viability of high-performance security labels thorough excellent luminescence for practical anti-mimetic applications. Morphology of the prepared samples is highly dependent on pH, concentration of the bio-surfactant, temperature and time durations.Photoluminescence(PL) emission spectra exhibit intense red emission at ~ 615 nm due to electric dipole transition(~5 D_0/~7 F_2). Photometric(CIE and CCT) results clearly show the intense warm red emission of the optimized samples. Therefore, this work offers a superior and universal luminescent label, which can be applied to visualize miniature LFPs particulars for individualization and consequently display great prospective in forensic investigation.展开更多
Carbonate radical is among the most important environmental relevant reactive species which govern the transformation and fate of pharmaceutical contaminants(PCs).However,reaction rate constants between carbonate radi...Carbonate radical is among the most important environmental relevant reactive species which govern the transformation and fate of pharmaceutical contaminants(PCs).However,reaction rate constants between carbonate radical and most of the PCs have not been experimentally determined,and quantitative structural-activity relationships(QSARs)have not been established for rate estimation.This study applied Max Min data processing method and used molecular fingerprints(MF)as the input of a deep neural network(DNN)to predict the rate constants between carbonate radical and organic compounds.MF parameters and the hyper-structure of the DNN were adjusted to yield satisfactory accuracy of rate prediction.The vector length of 512 bits with radius of 1 for MF and 5 hidden layers gave the best performance.The optimized MaxMin-MF-DNN model was compared with some of the most commonly used QSARs and machine learning methods,including random data splitting,molecular descriptors,supporting vector machine,decision tree,etc.Results showed that the MF-DNN model out-performed the other methods by more than 10%increase in prediction accuracy.Applying this MF-DNN model,we estimated reaction rates between carbonate radical and pharmaceuticals used in human medicine(1576)and veterinary practice(390).Among them,46 drugs were identified as fast-reacting compounds,suggesting the important relations of their environmental fate with carbonate radical.展开更多
Fingerprints are unique and life-long to everyone, so they occupy very important statuses in forensic science. However, due to the limit of current imaging technologies and instruments, recognition and matching of fin...Fingerprints are unique and life-long to everyone, so they occupy very important statuses in forensic science. However, due to the limit of current imaging technologies and instruments, recognition and matching of fingerprints are mostly based on their level 2 structures（bifurcation, crossover, and etc.）.Moreover, in real-world cases, fingerprints collected in the field are often incomplete or damaged, which adds further difficulty in fingerprint analysis. Quantum dots（QDs） are superior fluorescent imaging agents for latent fingerprints, which can provide both level 2 and level 3（sweat pores） details. Here, we used red-emitting N-acetylcysteine-capped Cd Te QDs as imaging agent for staining of eccrine LFPs. The numbers of level 2 and level 3 features that can be mapped are significantly larger than those obtained by cyanoacrylate fuming, a standard technique being adopted at forensic scene. Therefore, the level 2 and level 3 characteristics from QD-staining were simultaneously extracted for improved fingerprint analysis.A preliminary fingerprint matching based modified Pore Matching algorithm was thus developed based on the integration of both level 2 and level 3 characteristics. Satisfactory results of fingerprint matching were obtained, demonstrating the advantage of the QD-staining for advanced fingerprint analysis.展开更多
The aim of the study was to determine the feasibility of the Vitellaria paradoxa nutshell as a new medicinal resource for treating diabetes. A total of forty-one compounds were identified by HPLC-DAD-Q-TOF-MS and phyt...The aim of the study was to determine the feasibility of the Vitellaria paradoxa nutshell as a new medicinal resource for treating diabetes. A total of forty-one compounds were identified by HPLC-DAD-Q-TOF-MS and phytochemical methods in V. paradoxa nutshell methanol extract. Based on HPLC fingerprints, four characteristic constituents were quantified and the origin of twenty-eight V. paradoxa nutshells from seven sub-Saharan countries was compared, which were classified into three groups with chemometric method. Twenty-eight samples contained high total phenolic content, and exhibited moderate-higher antioxidant activity and strong α-glucosidase inhibitory activity. Furthermore, all fractions and isolated compounds were evaluated for their antioxidant and α-glucosidase inhibitory activities, and α-glucosidase inhibitory action mechanism of four characteristic constituents including protocatechuic acid, 3, 5, 7-trihydroxycoumarin,(2 R, 3 R)-(+)-taxifolin and quercetin was investigated via molecular docking method, which were all stabilized by hydrogen bonds with α-glucosidase. The study provided an effective approach to waste utilization of V. paradoxa nutshell, which would help to resolve waste environmental pollution and provide a basis for developing potential herbal resource for treating diabetes.展开更多
Using Dachengqi Tang（DCQT） as a model, high performance liquid chromatography（HPLC）fingerprints were applied to optimize machine extracting process with the Box–Behnken experimental design. HPLC fingerprints were...Using Dachengqi Tang（DCQT） as a model, high performance liquid chromatography（HPLC）fingerprints were applied to optimize machine extracting process with the Box–Behnken experimental design. HPLC fingerprints were carried out to investigate the chemical ingredients of DCQT; synthetic weighing method based on analytic hierarchy process（AHP） and criteria importance through intercriteria correlation（CRITIC） was performed to calculate synthetic scores of fingerprints; using the mark ingredients contents and synthetic scores as indicators, the Box–Behnken design was carried out to optimize the process parameters of machine decocting process under high pressure for DCQT. Results of optimal process showed that the herb materials were soaked for 45 min and extracted with 9 folds volume of water in the decocting machine under the temperature of 140 1C till the pressure arrived at 0.25 MPa;then hot decoction was excreted to soak Dahuang and Mangxiao for 5 min. Finally, obtained solutions were mixed, filtrated and packed. It concluded that HPLC fingerprints combined with the Box–Behnken experimental design could be used to optimize extracting process of traditional Chinese medicine（TCM）.展开更多
The standard gliadin fingerprints and their database of 68 major cultivars and a part of backbone parents, which have ever been extensively grown in North China since the 1950' s, were constructed by using CAWGES ...The standard gliadin fingerprints and their database of 68 major cultivars and a part of backbone parents, which have ever been extensively grown in North China since the 1950' s, were constructed by using CAWGES software and an improved method of pH 3.2 A-PAGE. In the meantime, investigations were made on the utilization of the database in the area of gliadin fingerprints analysis, variety identification and genetic relationship study. The results showed that it provided an effective method for building core collections and variety identification.展开更多
Optical coherence tomography (OCT) is a relatively new imaging technology which can produce high resolution images of three-dimensional structures. OCT has been mainly used for medical applications such as for ophthal...Optical coherence tomography (OCT) is a relatively new imaging technology which can produce high resolution images of three-dimensional structures. OCT has been mainly used for medical applications such as for ophthalmology and dermatology. In this study we demonstrate its capability in providing much more reliable biometry identification of fingerprints than conventional methods. We prove that OCT can serve secure control of genuine fingerprints as it can detect if extra layers are placed above the finger. This can prevent with a high probability, intruders to a secure area trying to foul standard systems based on imaging the finger surface. En-Face OCT method is employed and recommended for its capability of providing not only the axial succession of layers in depth, but the en-face image that allows the traditional pattern identification. Another reason for using such OCT technology is that it is compatible with dynamic focus and therefore can provide enhanced transversal resolution and sensitivity. Two En-Face OCT systems are used to evaluate the need for high resolution and conclusions are drawn in terms of the most potential commercial route to ex- ploitation.展开更多
Aim To study the correlation between the HPLC fingerprints and in vitro antibacterial activities of EtOAc extracts of Radix isatidis from various sources. Methods Ten batches of Radix isatidis EtOAc extracts were anal...Aim To study the correlation between the HPLC fingerprints and in vitro antibacterial activities of EtOAc extracts of Radix isatidis from various sources. Methods Ten batches of Radix isatidis EtOAc extracts were analyzed with HPLC and the fingerprints were established. The influence of EtOAc extracts on the thermogenic curve of growth of Escherchia coli was obtained by microcalorimetry. The chemical differences of EtOAc extracts of Radix isatidis from various sources in the HPLC fingerprints were probed with hierarchical clustering analysis and similarity analysis. The correlation between the HPLC fingerprints and in vitro antibacterial activities was analyzed with multivafiant correlation analysis. Results Close correlation existed between the HPLC fingerprints and in vitro antibacterial activities of EtOAc extracts of Radix isatidis. Conlusion The combination of HPLC fingerprints and antibacterial activities can be used to discover principle components of Radix isatidis on bioactivity.展开更多
Among the emitters in powder dusting to visualize the latent fingerprints(LFPs),aggregation-induced emission luminogens(AIEgens)are well employed for their high brightness and resistance to photobleaching.However,the ...Among the emitters in powder dusting to visualize the latent fingerprints(LFPs),aggregation-induced emission luminogens(AIEgens)are well employed for their high brightness and resistance to photobleaching.However,the serious background interference and low resolution still limit their fast development.Therefore,to further enhance the signal-to-noise ratio in LFPs imaging,especially to improve the analysis for level 3 details,donor-acceptor(D-A)typed AIEgens of DTPA-2,3-P,DTPA-2,5-P and DTPA-2,6-P are designed here.It is observed that strong emission covering from 450nm to 650nm can be obtained for all these molecules,especially that a high PLQY value of 10.06%in solids is achieved in DTPA-2,3-P.This is much higher than that of the other two cases(0.80%and 0.51%).By utilizing the DTPA-2,3-P in powder dusting,fluorescence imaging of LFPs can be clearly captured on both smooth and rough substrates.Moreover,confocal laser scanning microscope(CLSM)enables us to achieve high-resolution LFPs imaging in both 2D and 3D views,providing more detailed information of fingerprints pores in width,distance,distribution,and shapes.The results here demonstrate that highly emissive AIEgen of DTPA-2,3-P could be an excellent candidate for the visualization of fingerprints,thus providing the potential application in criminal investigation in the future.展开更多
Particulate matters（PMs） emitted by automobile exhaust contribute to a significant fraction of the global PMs. Extractive atmospheric pressure chemical ionization mass spectrometry（EAPCI-MS） was developed to explo...Particulate matters（PMs） emitted by automobile exhaust contribute to a significant fraction of the global PMs. Extractive atmospheric pressure chemical ionization mass spectrometry（EAPCI-MS） was developed to explore the molecular dependence of PMs collected from exhaust gases produced at different vehicle engine speeds. The mass spectral fingerprints of the organic compounds embedded in differentially sized PMs（e.g., 0.22–0.45, 0.45–1.00, 1.00–2.00, 2.00–3.00, 3.00–5.00, and 5.00–10.00 μm） generated at different engine speeds（e.g., 1000, 1500, 2000, 2500, and 3000 r/min） were chemically profiled in the mass range of mass to charge ratio（m/z） 50–800. Organic compounds,including alcohols, aldehydes, and esters, were detected in all the PMs tested, with varied concentration levels for each individual PM sample. At relatively low engine speeds（≤ 1500 r/min）, the total amount of organic species embedded in PMs of 0.22–1.00 μm was greater than in PMs of other sizes, while more organic species were found in PMs of5.00–10.00 μm at high engine speeds（≥ 3000 r/min）, indicating that the organic compounds distributed in different sizes of PMs strongly correlated with the engine speed. The experimental data showed that the EAPCI-MS technique enables molecular characterization of PMs in exhaust, revealing the chemical dependence of PMs on the engine speeds（i.e., the combustion conditions） of automobiles.展开更多
[Objectives] To establish infrared fingerprints of different parts of Boenninghausenia albiflora(Hook.) Reichb.ex Meissn. and Boenninghausenia sessilicarpa Levl.(two sources of Yi medicine Ebazema) and analyze the sim...[Objectives] To establish infrared fingerprints of different parts of Boenninghausenia albiflora(Hook.) Reichb.ex Meissn. and Boenninghausenia sessilicarpa Levl.(two sources of Yi medicine Ebazema) and analyze the similarity between them. [Methods] The infrared fingerprints of powder of B. albiflora(Hook.) Reichb.ex Meissn. and B. sessilicarpa Levl. were measured, and the common peak rate and variation peak rate of six samples were calculated to establish the sequence analysis method of common peak rate. [Results] There was a very high common peak rate(≥81.3%) and a very low variation peak rate(≤15.4%) between S1 and S4 as well as S2 and S6. There was a low common peak rate between S1 and S3 as well as S3 and S4, and the common peak rate was 42.9% and 47.6% respectively. There was a low common peak rate(≤47.6%) and a high variation peak rate(≥100.0%) between S1 and S3 as well as S3 and S4. [Conclusions] The method is simple and convenient to operate, can quickly identify different parts used as medicine of B. albiflora(Hook.) Reichb.ex Meissn. and B. sessilicarpa Levl.(two sources of Yi medicine Ebazema), and provide a new method to judge whether the two are equivalent when being used as medicine and quality evaluation.展开更多
This work first describes a simple approach for the untargeted profiling of volatile compounds for distinguishing between white duck down (WDD) and white goose down (WGD) based on resolution-optimized GC-IMS combined ...This work first describes a simple approach for the untargeted profiling of volatile compounds for distinguishing between white duck down (WDD) and white goose down (WGD) based on resolution-optimized GC-IMS combined with optimized chemometric techniques, namely PCA. The detection method for down samples was established by using GC-IMS. Meanwhile, the reason of unpleasant odors caused by WDD was explained on the basis of the characteristic volatile compounds identification. GC-IMS fingerprinting can be considered a revolutionary approach for a truly fully automatable, cost-efficient, and in particular highly sensitive method. A total of 22 compounds were successfully separated and identified through GC-IMS method, and the significant differences in volatile compounds were observed in three parts of WDD and WGD samples. The most characteristic volatile compounds of WGD belong to aldehydes, whereas carboxylic acids from WDD were detected generated by autoxidation reaction. Meanwhile, the main reason of unpleasant odor generation was possibly attributed to the high concentration of volatile carboxylic acids of WDD. Therefore, the constructed model presents a simple and efficient method of analysis and serves as a basis for down processing and quality control.展开更多
Migration and transformation of(micro)plastics are complex,and the full understanding of these processes at the macro-particle level is challenging.In this commentary,we define the characteristics of plastic-related o...Migration and transformation of(micro)plastics are complex,and the full understanding of these processes at the macro-particle level is challenging.In this commentary,we define the characteristics of plastic-related organic small molecules as chemical fingerprints,based on which the strategies and challenges for tracking plastics were discussed.It was suggested that the chemical fingerprints,as the unique identity markers,have the potential to track any possible process of interest in the full life cycle of plastics,such as processing,use,recycling,abandonment,and environmental aging of plastics.展开更多
基金This study was supported by the National Natural Science Foundation of China(No.81573586).
文摘Aiming to ensure the consistency of quality control of Traditional Chinese Medicines(TCMs),a combination method of high-performance liquid chromatography(HPLC),ultraviolet(UV),electrochemical(EC)was developed in this study to comprehensively evaluate the quality of Antiviral Mixture(AM),and Comprehensive Linear Quantification Fingerprint Method(CLQFM)was used to process the data.Quantitative analysis of three active substances in TCM was conducted.A fivewavelength fusion fingerprint(FWFF)was developed,using second-order derivatives of UV spectral data to differentiate sample levels effectively.The combination of HPLC and UV spectrophotometry,along with electrochemical fingerprinting(ECFP),successfully evaluated total active substances.Ultimately,a multidimensional profiling analytical system for TCM was developed.
基金Supported by the Fund for Talented Scholars of Sichuan Academy of Agricultural SciencesSpecial Fund for New Subjects from the Innovation Capability Promotion Project of Sichuan Provincial Department of Finance(2013xxxk-020)~~
文摘In the present study, the nutritional compositions of maca which was grown in a mountain area at an elevation of 2 200-2 800 m of Ebian County,Sichuan Province were measured, and then HPLC analysis on two representative active compounds（macaene and macamide） in the maca sample was performed.The results revealed that there were 24.20% total protein, 18.40% total amino acids（including 3.84% arginine）, 42.80% total sugars, 1.36% fat and kinds of minerals（including 1.14% potassium） in Ebian maca. HPLC fingerprints of macaene and macamide of Ebian maca were similar to those of Peru maca. The results suggested that maca could be cultivated with good quality in some mountain areas with an altitude1 000 m lower than the origin place in Peru.
基金National Higher-Education Institution General Research and Development Funding(Grant No.JKP2011010)
文摘In this paper, we proposed a novel resolution criterion（improved calibrated normalized resolution product, r＊＇） to evaluate separation quality of fingerprints. By comparing with the calibrated normalized resolution product（r＊） and the hierarchical chromatographic response function（HCRF）, the validity of this criterion was demonstrated by experimental chromatograms. The soy isoflavone extract was selected as the analytical object. The initial and end percentages of methanol and elution time affecting gradient elution were tested by orthogonal design. The final optimized conditions were as follows. It was detected by UV absorbance at 254 nm, column temperature was maintained at 36 oC, solvent A was 0.1%（v/v） acetic acid, solvent B was methanol, gradient elution was from 34% to 65% B in a linear gradient in 25 min, and the flow-rate was set at 1.0 m L/min. In addition, the main ingredients of the soy isoflavone extract were confirmed by LC-ESI/MS.
文摘Aim To establish a method for determination of Ginkgo biloba L, its extractand preparations with HPLC fingerprints, so as to control the quality of the preparations. MethodsHPLC-DAD method was used to determine the constituents in preparations. Diamonsil? C_(18) (200mm X 4.6 mm, 5 μm) was used as analytical column, and acetonitrile/KH_2PO_4 was used as mobilephase with gradient elu-tion. The column temperature was at 24 ℃. The HPLC profile of chemicalconstituents of control sample and preparations were analyzed using similarity software. Results Thefingerprints of different preparations from different companies were slightly different because ofthe different preparing procedures. Mean while, the fingerprints of different batches of the samepreparation from the same company were similar to each other and the technology of each preparationwas stable. Conclusion This method is accurate, reproducible , simple, and can be used as ananalytical method for the routine quality control of Ginkgo biloba preparations.
基金"Study on the Active Components and Healthcare Function of Pu-erh Tea"(2007BAD58B04-2)"National Tea Industrial Science and Technology System"from Modern Agriculture Industrial Technology System,Yunnan Agricultural University
文摘A simple and accurate high-performance liquid chromatography（HPLC）method to generate the fingerprints of crude Pu-erh tea（CPT）and ripened Pu-erh tea（RPT）is described.A suitable chromatographic system was established using a linear gradient elution with acetonitrile and water containing 0.6% formic acid as the mobile phase and a detection wavelength of 300 nm.HPLC analysis identified 24 common peaks among RPT and 21 common peaks among CPT.This study revealed that crude Pu-erh tea and ripened Pu-erh tea contained some similar major constituents,but with distinctive peaks,which may be caused by the difference in the fermentation process.This HPLC fingerprint method could be used to evaluate and authenticate crude Pu-erh tea and ripened Pu-erh tea.
文摘In the present work, TiO2:Eu^(3+) (1 mol%e11 mol%) nano powders(NPs) were prepared via a facile one-pot hydrothermal method by using Epigallocatechin Gallate(EGCG) as bio-surfactant. The optimized TiO2:Eu^(3+) (5 mol%) NPs can be used as fluorescent labeling agent for visualizing of latent fingerprints(LFPs) on various porous and non-porous surfaces. The obtained results exhibit well defined ridge details with high sensitivity, selectivity, and low background hindrance which show greater advantages as compared to conventional powders. We demonstrated the viability of high-performance security labels thorough excellent luminescence for practical anti-mimetic applications. Morphology of the prepared samples is highly dependent on pH, concentration of the bio-surfactant, temperature and time durations.Photoluminescence(PL) emission spectra exhibit intense red emission at ~ 615 nm due to electric dipole transition(~5 D_0/~7 F_2). Photometric(CIE and CCT) results clearly show the intense warm red emission of the optimized samples. Therefore, this work offers a superior and universal luminescent label, which can be applied to visualize miniature LFPs particulars for individualization and consequently display great prospective in forensic investigation.
基金supported by the National Natural Science Foundation of China(No.41703101)the Beijing Outstanding Young Scientist Program(No.BJJWZYJH01201910004016)。
文摘Carbonate radical is among the most important environmental relevant reactive species which govern the transformation and fate of pharmaceutical contaminants(PCs).However,reaction rate constants between carbonate radical and most of the PCs have not been experimentally determined,and quantitative structural-activity relationships(QSARs)have not been established for rate estimation.This study applied Max Min data processing method and used molecular fingerprints(MF)as the input of a deep neural network(DNN)to predict the rate constants between carbonate radical and organic compounds.MF parameters and the hyper-structure of the DNN were adjusted to yield satisfactory accuracy of rate prediction.The vector length of 512 bits with radius of 1 for MF and 5 hidden layers gave the best performance.The optimized MaxMin-MF-DNN model was compared with some of the most commonly used QSARs and machine learning methods,including random data splitting,molecular descriptors,supporting vector machine,decision tree,etc.Results showed that the MF-DNN model out-performed the other methods by more than 10%increase in prediction accuracy.Applying this MF-DNN model,we estimated reaction rates between carbonate radical and pharmaceuticals used in human medicine(1576)and veterinary practice(390).Among them,46 drugs were identified as fast-reacting compounds,suggesting the important relations of their environmental fate with carbonate radical.
基金supported by the National Natural Science Foundation of China (Nos. 21475090 and 21522505)
文摘Fingerprints are unique and life-long to everyone, so they occupy very important statuses in forensic science. However, due to the limit of current imaging technologies and instruments, recognition and matching of fingerprints are mostly based on their level 2 structures（bifurcation, crossover, and etc.）.Moreover, in real-world cases, fingerprints collected in the field are often incomplete or damaged, which adds further difficulty in fingerprint analysis. Quantum dots（QDs） are superior fluorescent imaging agents for latent fingerprints, which can provide both level 2 and level 3（sweat pores） details. Here, we used red-emitting N-acetylcysteine-capped Cd Te QDs as imaging agent for staining of eccrine LFPs. The numbers of level 2 and level 3 features that can be mapped are significantly larger than those obtained by cyanoacrylate fuming, a standard technique being adopted at forensic scene. Therefore, the level 2 and level 3 characteristics from QD-staining were simultaneously extracted for improved fingerprint analysis.A preliminary fingerprint matching based modified Pore Matching algorithm was thus developed based on the integration of both level 2 and level 3 characteristics. Satisfactory results of fingerprint matching were obtained, demonstrating the advantage of the QD-staining for advanced fingerprint analysis.
基金supported by the General Program Foundation of Jiangsu Food and Pharmaceutical Science College(No.JSFP·2018005-Z)the Natural Science Foundation of Jiangsu Province(No.BK20170742)the Youth Science Fund Project of National Natural Science Foundation of China(No.81703383)
文摘The aim of the study was to determine the feasibility of the Vitellaria paradoxa nutshell as a new medicinal resource for treating diabetes. A total of forty-one compounds were identified by HPLC-DAD-Q-TOF-MS and phytochemical methods in V. paradoxa nutshell methanol extract. Based on HPLC fingerprints, four characteristic constituents were quantified and the origin of twenty-eight V. paradoxa nutshells from seven sub-Saharan countries was compared, which were classified into three groups with chemometric method. Twenty-eight samples contained high total phenolic content, and exhibited moderate-higher antioxidant activity and strong α-glucosidase inhibitory activity. Furthermore, all fractions and isolated compounds were evaluated for their antioxidant and α-glucosidase inhibitory activities, and α-glucosidase inhibitory action mechanism of four characteristic constituents including protocatechuic acid, 3, 5, 7-trihydroxycoumarin,(2 R, 3 R)-(+)-taxifolin and quercetin was investigated via molecular docking method, which were all stabilized by hydrogen bonds with α-glucosidase. The study provided an effective approach to waste utilization of V. paradoxa nutshell, which would help to resolve waste environmental pollution and provide a basis for developing potential herbal resource for treating diabetes.
基金financially supported by Longhua Medical Project (LYTD-14)the National Special Research Foundation of TCM (No.201007010)
文摘Using Dachengqi Tang（DCQT） as a model, high performance liquid chromatography（HPLC）fingerprints were applied to optimize machine extracting process with the Box–Behnken experimental design. HPLC fingerprints were carried out to investigate the chemical ingredients of DCQT; synthetic weighing method based on analytic hierarchy process（AHP） and criteria importance through intercriteria correlation（CRITIC） was performed to calculate synthetic scores of fingerprints; using the mark ingredients contents and synthetic scores as indicators, the Box–Behnken design was carried out to optimize the process parameters of machine decocting process under high pressure for DCQT. Results of optimal process showed that the herb materials were soaked for 45 min and extracted with 9 folds volume of water in the decocting machine under the temperature of 140 1C till the pressure arrived at 0.25 MPa;then hot decoction was excreted to soak Dahuang and Mangxiao for 5 min. Finally, obtained solutions were mixed, filtrated and packed. It concluded that HPLC fingerprints combined with the Box–Behnken experimental design could be used to optimize extracting process of traditional Chinese medicine（TCM）.
基金the financial support from the National Natural Science Foundation of China(Nos.21005006 and 21127007)the Fundamental Research Funds for the Central Universities(Nos.06108101,06199019 and 06199024)
文摘Received 15 November 2012 Received in revised form 5 December 2012 Accepted 12 December 2012 Available online 20 January 2013
文摘The standard gliadin fingerprints and their database of 68 major cultivars and a part of backbone parents, which have ever been extensively grown in North China since the 1950' s, were constructed by using CAWGES software and an improved method of pH 3.2 A-PAGE. In the meantime, investigations were made on the utilization of the database in the area of gliadin fingerprints analysis, variety identification and genetic relationship study. The results showed that it provided an effective method for building core collections and variety identification.
文摘Optical coherence tomography (OCT) is a relatively new imaging technology which can produce high resolution images of three-dimensional structures. OCT has been mainly used for medical applications such as for ophthalmology and dermatology. In this study we demonstrate its capability in providing much more reliable biometry identification of fingerprints than conventional methods. We prove that OCT can serve secure control of genuine fingerprints as it can detect if extra layers are placed above the finger. This can prevent with a high probability, intruders to a secure area trying to foul standard systems based on imaging the finger surface. En-Face OCT method is employed and recommended for its capability of providing not only the axial succession of layers in depth, but the en-face image that allows the traditional pattern identification. Another reason for using such OCT technology is that it is compatible with dynamic focus and therefore can provide enhanced transversal resolution and sensitivity. Two En-Face OCT systems are used to evaluate the need for high resolution and conclusions are drawn in terms of the most potential commercial route to ex- ploitation.
文摘Aim To study the correlation between the HPLC fingerprints and in vitro antibacterial activities of EtOAc extracts of Radix isatidis from various sources. Methods Ten batches of Radix isatidis EtOAc extracts were analyzed with HPLC and the fingerprints were established. The influence of EtOAc extracts on the thermogenic curve of growth of Escherchia coli was obtained by microcalorimetry. The chemical differences of EtOAc extracts of Radix isatidis from various sources in the HPLC fingerprints were probed with hierarchical clustering analysis and similarity analysis. The correlation between the HPLC fingerprints and in vitro antibacterial activities was analyzed with multivafiant correlation analysis. Results Close correlation existed between the HPLC fingerprints and in vitro antibacterial activities of EtOAc extracts of Radix isatidis. Conlusion The combination of HPLC fingerprints and antibacterial activities can be used to discover principle components of Radix isatidis on bioactivity.
基金The authors are thankful for the financial support from the National Natural Science Foundation of China(No.21975197)Shaanxi Province Key R&D Program-International Science and Technology Cooperation Project(No.2022KW-40)the Innovation Capability Support Program of Shaanxi(No.2021TD-57).
文摘Among the emitters in powder dusting to visualize the latent fingerprints(LFPs),aggregation-induced emission luminogens(AIEgens)are well employed for their high brightness and resistance to photobleaching.However,the serious background interference and low resolution still limit their fast development.Therefore,to further enhance the signal-to-noise ratio in LFPs imaging,especially to improve the analysis for level 3 details,donor-acceptor(D-A)typed AIEgens of DTPA-2,3-P,DTPA-2,5-P and DTPA-2,6-P are designed here.It is observed that strong emission covering from 450nm to 650nm can be obtained for all these molecules,especially that a high PLQY value of 10.06%in solids is achieved in DTPA-2,3-P.This is much higher than that of the other two cases(0.80%and 0.51%).By utilizing the DTPA-2,3-P in powder dusting,fluorescence imaging of LFPs can be clearly captured on both smooth and rough substrates.Moreover,confocal laser scanning microscope(CLSM)enables us to achieve high-resolution LFPs imaging in both 2D and 3D views,providing more detailed information of fingerprints pores in width,distance,distribution,and shapes.The results here demonstrate that highly emissive AIEgen of DTPA-2,3-P could be an excellent candidate for the visualization of fingerprints,thus providing the potential application in criminal investigation in the future.
基金supported by the National Natural Science Foundation of China (Nos. 21675021, 21607161, 21520102007)the Program for Changjiang Scholars and Innovative Research Team in Universities (PCSIRT) (No. IRT 13054)+1 种基金the Science and Technology Planning Project at the Ministry of Science and Technology of Jiangxi Province, China (No. 20152ACH80010)Jiangxi Key Laboratory for Mass Spectrometry and Instrumentation Open Foundation (No. JXMS201501, JXMS201516)
文摘Particulate matters（PMs） emitted by automobile exhaust contribute to a significant fraction of the global PMs. Extractive atmospheric pressure chemical ionization mass spectrometry（EAPCI-MS） was developed to explore the molecular dependence of PMs collected from exhaust gases produced at different vehicle engine speeds. The mass spectral fingerprints of the organic compounds embedded in differentially sized PMs（e.g., 0.22–0.45, 0.45–1.00, 1.00–2.00, 2.00–3.00, 3.00–5.00, and 5.00–10.00 μm） generated at different engine speeds（e.g., 1000, 1500, 2000, 2500, and 3000 r/min） were chemically profiled in the mass range of mass to charge ratio（m/z） 50–800. Organic compounds,including alcohols, aldehydes, and esters, were detected in all the PMs tested, with varied concentration levels for each individual PM sample. At relatively low engine speeds（≤ 1500 r/min）, the total amount of organic species embedded in PMs of 0.22–1.00 μm was greater than in PMs of other sizes, while more organic species were found in PMs of5.00–10.00 μm at high engine speeds（≥ 3000 r/min）, indicating that the organic compounds distributed in different sizes of PMs strongly correlated with the engine speed. The experimental data showed that the EAPCI-MS technique enables molecular characterization of PMs in exhaust, revealing the chemical dependence of PMs on the engine speeds（i.e., the combustion conditions） of automobiles.
基金Supported by National Key Research and Development Plan(2018YFC1708000)Science and Technology Planning Project of Sichuan Province,China(2017JY0274)Fundamental Research Funds for the Central Universities(2018NQN13)
文摘[Objectives] To establish infrared fingerprints of different parts of Boenninghausenia albiflora(Hook.) Reichb.ex Meissn. and Boenninghausenia sessilicarpa Levl.(two sources of Yi medicine Ebazema) and analyze the similarity between them. [Methods] The infrared fingerprints of powder of B. albiflora(Hook.) Reichb.ex Meissn. and B. sessilicarpa Levl. were measured, and the common peak rate and variation peak rate of six samples were calculated to establish the sequence analysis method of common peak rate. [Results] There was a very high common peak rate(≥81.3%) and a very low variation peak rate(≤15.4%) between S1 and S4 as well as S2 and S6. There was a low common peak rate between S1 and S3 as well as S3 and S4, and the common peak rate was 42.9% and 47.6% respectively. There was a low common peak rate(≤47.6%) and a high variation peak rate(≥100.0%) between S1 and S3 as well as S3 and S4. [Conclusions] The method is simple and convenient to operate, can quickly identify different parts used as medicine of B. albiflora(Hook.) Reichb.ex Meissn. and B. sessilicarpa Levl.(two sources of Yi medicine Ebazema), and provide a new method to judge whether the two are equivalent when being used as medicine and quality evaluation.
文摘This work first describes a simple approach for the untargeted profiling of volatile compounds for distinguishing between white duck down (WDD) and white goose down (WGD) based on resolution-optimized GC-IMS combined with optimized chemometric techniques, namely PCA. The detection method for down samples was established by using GC-IMS. Meanwhile, the reason of unpleasant odors caused by WDD was explained on the basis of the characteristic volatile compounds identification. GC-IMS fingerprinting can be considered a revolutionary approach for a truly fully automatable, cost-efficient, and in particular highly sensitive method. A total of 22 compounds were successfully separated and identified through GC-IMS method, and the significant differences in volatile compounds were observed in three parts of WDD and WGD samples. The most characteristic volatile compounds of WGD belong to aldehydes, whereas carboxylic acids from WDD were detected generated by autoxidation reaction. Meanwhile, the main reason of unpleasant odor generation was possibly attributed to the high concentration of volatile carboxylic acids of WDD. Therefore, the constructed model presents a simple and efficient method of analysis and serves as a basis for down processing and quality control.
基金support from the Open Research Fund of State Key Laboratory of Estuarine and Coastal Research,China(grant number SKLEC-KF202312)the National Natural Science Foundation of China,China(grant numbers 42277374 and 42477409).
文摘Migration and transformation of(micro)plastics are complex,and the full understanding of these processes at the macro-particle level is challenging.In this commentary,we define the characteristics of plastic-related organic small molecules as chemical fingerprints,based on which the strategies and challenges for tracking plastics were discussed.It was suggested that the chemical fingerprints,as the unique identity markers,have the potential to track any possible process of interest in the full life cycle of plastics,such as processing,use,recycling,abandonment,and environmental aging of plastics.
