Composition and sources of suspended particles in the Pacific Arctic region.

During the 6th (2014) and 7th (2016) Chinese Arctic Expedition (CHINARE), samples of suspended particulate matter (SPM) were collected from both surface (depth: <1.0 m) and subsurface (depth: approximately between 10 and 150 m) waters over the northern shelf of the Bering Sea and in the western Arctic Ocean. To investigate the distribution and sources of organic matter in both the surface water and the vertical profile, the concentration and stable carbon isotopic composition of SPM, particulate organic carbon (POC), and particulate nitrogen (only in surface water samples) were determined, and some particle samples were selected for examination using scanning electron microscopy. Results showed apparent geographical partitioning and temporal variation in both the concentration and the composition of SPM. Higher SPM concentrations were observed in nearshore, shelf break, and sea ice edge areas; the distribution of POC concentration displayed a similar pattern, with higher values found from the northern part of the Bering Shelf to southern parts of the Chukchi Shelf. In surface water, SPM mainly comprised clay and detrital minerals with higher POC contents, lighter δ13C values, and higher POC/PN ratios, indicating organic matter predominantly derived from terrestrial sources in areas south of St. Lawrence Island and north of 73°N. The downward trend of heavier δ13C values, together with reduction in clay and detrital minerals, suggests that vertical transport of SPM is hindered by stratification, resulting in transport of terrestrial materials toward northern basin areas. In the Chukchi Slope and Canada Basin areas, extremely light δ13C values (as low as -33.41‰ PDB) were mainly observed at depths of 20-60 m, where the Polar Mixed Layer (PML) intersects with the Upper Halocline Layer (UHL). Under the condition of low sea ice extent in 2016, the POC-δ13C values were heavier in the PML than in the UHL in the Chukchi Slope and Canada Basin areas. These findings provide insights into the sources, transport, and fate of organic matter in the Pacific Arctic region, which have important implications for understanding the biogeochemical cycles and ecosystem dynamics in this remote and rapidly changing environment.

Sources and spatial variations of heavy metals in offshore sediments of the western Pearl River Estuary.

The concentrations of six heavy metals (Cd, Cr, Cu, Pb, Zn, and As) in offshore surface sediments of western Pearl River Estuary were analyzed to investigate their sources and spatial variations using factorial kriging analysis. Three-scale spatial variations in heavy metal concentrations were identified and separated: nugget, local, and regional scale, which indicated sample errors, anthropogenic pollution and natural variation, respectively. Anthropogenic heavy metals varied sharply and heterogeneous at range of 60 km. Maoming Port, Hailing Bay and coastal area northeastern Hainan Island were potential polluted areas of Cd, Cr, Cu, Pb, Zn and As, also the Nandu River, Baoling River and Wanquan River estuaries were potential polluted areas of As. These polluted areas ranged up to 60 km in size and tended to extend with currents. The natural heavy metals varied continuously and relatively homogeneous at range of 180 km, which was dominated by riverine input and paleo-sea-level changes.

Land use intensity controls the diversity-productivity relationship in northern temperate grasslands of China.

Introduction: The diversity-productivity relationship is a central issue in maintaining the grassland ecosystem's multifunctionality and supporting its sustainable management. Currently, the mainstream opinion on the diversity-productivity relationship recognizes that increases in species diversity promote ecosystem productivity. Methods: Here, we challenge this opinion by developing a generalized additive model-based framework to quantify the response rate of grassland productivity to plant species diversity using vegetation survey data we collected along a land-use intensity gradient in northern China. Results: Our results show that the grassland aboveground biomass responds significantly positively to the Shannon-Wiener diversity index at a rate of 46.8 g m-2 per unit increase of the Shannon-Wiener index in enclosure-managed grasslands, under the co-influence of climate and landscape factors. The aboveground biomass response rate stays positive at a magnitude of 47.1 g m-2 in forest understory grassland and 39.7 g m-2 in wetland grassland. Conversely, the response rate turns negative in heavily grazed grasslands at -55.8 g m-2, transiting via near-neutral rates of -7.0 and -7.3 g m-2 in mowing grassland and moderately grazed grassland, respectively. Discussion: These results suggest that the diversity-productivity relationship in temperate grasslands not only varies by magnitude but also switches directions under varying levels of land use intensity. This highlights the need to consider land use intensity as a more important ecological integrity indicator for future ecological conservation programs in temperate grasslands.

Sown alfalfa pasture decreases grazing intensity while increasing soil carbon: Experimental observations and DNDC model predictions.

Introduction: Grasslands are the most important land use in China and have experienced extensive degradation in the past few decades due to overgrazing. However, regionally viable solutions to grazing intensity alleviation remained elusive to date. Methods: Here, we evaluated the grazing intensity effects of sown alfalfa pastures in northern China using an experiment-modeling combined approach that involved six sites in field experiments and five provinces in DNDC modeling of sown alfalfa pasture's forage production and carbon sequestration potentials in marginal lands. Results: Our results showed that the sown alfalfa pasture's dry-matter yield varied between 4.5 and 9.0 Mg ha-1 under rainfed and irrigated conditions, respectively, from 2025 to 2035. If half of the available marginal lands were mobilized for alfalfa forage production, these yield levels meant that livestock grazing intensity on natural grasslands may drop 8-13% under rainfed and 20-33% under irrigated conditions. Our results also showed that marginal land's soil organic carbon contents were systematically higher under sown alfalfa pasture than under fallow management by a big margin of 8.5 and 9.9 g kg-1 (i.e., +79 and +95%), under rainfed and irrigated conditions, respectively, during 2025-2035. Discussion: Overall, these results demonstrated that sown alfalfa pasture on marginal lands represents an effective grassland conservation pathway over the short- to medium-term time horizon based on current technologies.

Warm pool ocean heat content regulates ocean-continent moisture transport.

The Indo-Pacific Warm Pool (IPWP) exerts a dominant role in global climate by releasing huge amounts of water vapour and latent heat to the atmosphere and modulating upper ocean heat content (OHC), which has been implicated in modern climate change1. The long-term variations of IPWP OHC and their effect on monsoonal hydroclimate are, however, not fully explored. Here, by combining geochemical proxies and transient climate simulations, we show that changes of IPWP upper (0-200 m) OHC over the past 360,000 years exhibit dominant precession and weaker obliquity cycles and follow changes in meridional insolation gradients, and that only 30%-40% of the deglacial increases are related to changes in ice volume. On the precessional band, higher upper OHC correlates with oxygen isotope enrichments in IPWP surface water and concomitant depletion in East Asian precipitation as recorded in Chinese speleothems. Using an isotope-enabled air-sea coupled model, we suggest that on precessional timescales, variations in IPWP upper OHC, more than surface temperature, act to amplify the ocean-continent hydrological cycle via the convergence of moisture and latent heat. From an energetic viewpoint, the coupling of upper OHC and monsoon variations, both coordinated by insolation changes on orbital timescales, is critical for regulating the global hydroclimate.

Achieving the dual goals of biomass production and soil rehabilitation with sown pasture on marginal cropland: Evidence from a multi-year field experiment in Northeast Inner Mongolia.

Grassland is the primary land use in China but has experienced severe degradation in recent decades due to overgrazing and conversion to agricultural production. Here, we conducted a field experiment in northeastern Inner Mongolia to test the effectiveness of sown pastures in lowering the grazing pressure on grasslands and raising the quality of marginal soils. Alfalfa and smooth bromegrass monocultures and mixture were sown in a marginal cropland field in Hulunber in June 2016. Biomass productivity, soil physicochemical, and biological properties were monitored annually from 2016 to 2020. The results showed that the marginal cropland soil responded consistently positively to sown pastures for major soil properties. Soil organic carbon (SOC) and total nitrogen (TN) increased by 48 and 21%, respectively, from 2016 to 2020 over the 0-60 cm soil depth range. Soil microbes responded proactively too. The soil microbial biomass C (SMBC) and N (SMBN) increased by 117 and 39%, respectively, during the period of 2016-2020. However, by the end of the experiment, the soil of a natural grassland field, which was included in the experiment as a control, led the sown pasture soil by 28% for SOC, 35% for TN, 66% for SMBC, and 96% for SMBN. Nevertheless, the natural grassland soil's productive capacity was inferior to that of the sown pasture soil. The average aboveground biomass productivity of sown pastures was measured at 8.4 Mg ha-1 in 2020, compared to 5.0 Mg ha-1 for natural grassland, while the root biomass of sown pastures was averaged at 7.5 Mg ha-1, leading the natural grassland by 15%. Our analyses also showed that the sown pastures' biomass productivity advantage had a much-neglected potential in natural grassland protection. If 50% of the available marginal cropland resources in Hulunber under the current environmental protection law were used for sown pastures, the livestock grazing pressure on the natural grasslands would decrease by a big margin of 38%. Overall, these results represent systematic empirical and analytical evidence of marginal cropland soil's positive responses to sown pastures, which shows clearly that sown pasture is a valid measure both for soil rehabilitation and biomass production.

Evaluation of the effects of four types of tea on the activity of cytochrome P450 enzymes with a probe cocktail and HPLC-MS/MS.

Background: Tea, the world's second most popular drink, is an essential part of some people's lives. Thus, this study aimed to explore potential tea-drug interactions with a view to promoting the rational administration of drugs. Methods: A specific and sensitive approach involving high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) and a probe cocktail was established and validated to evaluate the inhibitory effects of four teas on five cytochrome P450 (CYP450) enzymes in rats. Metoprolol tartrate (MT), omeprazole (OMP), phenacetin (PNT), tolbutamide (TOL), and testosterone (T) were selected as the probe drugs for CYP2D6, CYP2C19, CYP1A2, CYP2C6, and CYP3A1/2, respectively, and were simultaneously quantified in the multiple reaction monitoring (MRM) mode with positive electrospray ionization (ESI+) in a single 12-min run. Results: The extraction recoveries, matrix effect values, as well as intra/interday accuracy and precision met the determination standards. CYP1A2 and CYP2C6 were strongly inhibited by green tea, and CYP2C6 was also strongly inhibited by Pu'er tea. Ti Kuan Yin tea had a weak inhibitory effect, and black tea had only a slight inhibitory effect, on CYP1A2. Furthermore, the four types of tea did not have significantly altered the activity of CYP2D6, CYP2C19, and CYP3A1/2 in vitro. Conclusions: The method used in the present study was successfully applied to assess the inhibitory effects of aqueous extracts of four types of tea on CYP450 isoforms in vitro. The results suggest that different types of tea have different effects on drug metabolism.

Enclosure in Combination with Mowing Simultaneously Promoted Grassland Biodiversity and Biomass Productivity.

Grassland is the primary land use in China, which has experienced extensive degradation in recent decades due to overexploitation. Here, we conducted field experiments to quantify the degraded grassland's recovery rate in Northeast Inner Mongolia in response to restoration measures, including fallow + enclosure (FE) and mowing + enclosure (ME) in comparison to livestock grazing (LG), since 2005. Plant community properties were surveyed and aboveground biomass (AGB) sampled in summer 2013. Our results showed that the regional dominant species Leymus chinensis retained its dominance under FE, whereas a range of forb species gained dominance under LG. Vegetative cover was maximal under FE and minimal under LG. The least amount of vegetation development and AGB were observed under LG. However, plant diversity showed an opposite pattern, with maximal diversity under LG and minimal under FE. Statistical analysis revealed that AGB was negatively associated with plant diversity for all treatments except ME. For ME, a positive AGB-diversity relationship was characterized, suggesting that mowing intensity was a controlling factor for the AGB-diversity relationship. Overall, these results demonstrated that enclosure plus mowing represented an effective conservation measure that provided fair support to forage production and a progressive pathway to a more resilient grassland system.

Pharmacokinetics and tissue distribution of trans-ferulic acid-4-ß-glucoside in rats using UPLC-MS/MS.

Trans-ferulic acid-4-ß-glucoside (FAG) is a monomer extracted from Radix Aconiti Lateralis Preparata, which is a potential candidate for the prevention and treatment of cold injury. To determine the concentration of FAG in rats, it is essential to develop an ultra-performance liquid chromatography coupled with MS/MS method. Chromatographic separation was achieved by an Acquity UPLC BEH C18 column (2.1 × 50 mm, 1.7 µm). A Xevo triple quadrupole tandem mass spectrometer was used to quantitatively determine FAG in the negative-ion mode. The standard calibration curve was linear over the concentration range of 0.1-100 µg/mL and 0.0626-31.28 µg/g for rat plasma and liver tissue homogenate samples, respectively. The inter- and intra-batch precision (% relative standard deviation) of the assay was ≤8.29%, and accuracy (% relative error) ranged from -7.41 to 10.99%. The matrix effect was between 92.99 and 102.39%. The oral absolute bioavailability of FAG was obtained as 1.80%. The results of tissue distribution suggested that FAG spread rarely in the liver and brown adipose, which was not propitious to exert its ability to treat cold injury. In general, these studies were significant to provide necessary information for further study.

Pharmacokinetics and tissue distribution study of hupehenenine in rats: A novel isosteroid alkaloid isolated from Bulbus Hupehensis Fritillariae.

Hupehenenine is a novel isosteroid alkaloid that was first isolated from Bulbus Hupehensis Fritillariae. The inhibitory proliferation effect of hupehenenine and its three related alkaloid derivatives, including o-caproyl-hupehenenine, o-(2-furanoyl)-hupehenenine, and Δ5(6) -isopeimine on human lung cancer cell line, human chronic myeloid leukemia cell line, and human thyroid duct cancer cell line in vitro, has been identified. This study first developed a sensitive HPLC-MS/MS method for the simultaneous quantification of hupehenenine and three alkaloid derivatives in rat plasma and tissues. The developed method was validated, and it was linear over the concentration range of 1-800 ng/mL for all analytes with R2 ≥ 0.9939 and 0.9972, respectively, in rat plasma and rat liver homogenate. The lower limit of quantitation was 1 ng/mL for all analytes. The intra-day and inter-day precision and accuracy were satisfactory. This validated method was successfully applied to investigate the pharmacokinetics and tissue distribution of hupehenenine in rats. In pharmacokinetic study, the maximum plasma concentration of rats exists gender difference. Tissue distribution study showed that hupehenenine has good affinity for multiple tissues but is unable to cross the blood-brain barrier. These results may provide a useful reference for further research of hupehenenine and its three related alkaloid derivatives.

Pacific warm pool subsurface heat sequestration modulated Walker circulation and ENSO activity during the Holocene.

Dynamics driving the El Niño-Southern Oscillation (ENSO) over longer-than-interannual time scales are poorly understood. Here, we compile thermocline temperature records of the Indo-Pacific warm pool over the past 25,000 years, which reveal a major warming in the Early Holocene and a secondary warming in the Middle Holocene. We suggest that the first thermocline warming corresponds to heat transport of southern Pacific shallow overturning circulation driven by June (austral winter) insolation maximum. The second thermocline warming follows equatorial September insolation maximum, which may have caused a steeper west-east upper-ocean thermal gradient and an intensified Walker circulation in the equatorial Pacific. We propose that the warm pool thermocline warming ultimately reduced the interannual ENSO activity in the Early to Middle Holocene. Thus, a substantially increased oceanic heat content of the warm pool, acting as a negative feedback for ENSO in the past, may play its role in the ongoing global warming.

Study on the diagnosis of gout with xanthine and hypoxanthine.

BACKGROUND: Hyperuricemia is the only biochemical index in the classification of acute gouty arthritis in American Rheumatism Association 1977 and the main basis of clinical diagnosis for most doctors. However, nearly half of the time gout occurs without hyperuricemia, especially in an acute attack，which leads to an urgent need to find a new substitute diadynamic criteria of gout. Xanthine and hypoxanthine, as precursors of uric acid, have been reported to be high in gout patients with hyperuricemia and presumed to be gout biomarkers. OBJECTIVES: To further explore the possibility of xanthine and hypoxanthine to be gout biomarkers as substitutes for uric acid. METHODS: A reversed-phase HPLC-UV method was employed for simultaneous quantitative detection of uric acid (UA), xanthine (X), and hypoxanthine (HX) in gout patients' (with and without hyperuricemia) and healthy persons' serum. RESULTS: The xanthine and hypoxanthine concentrations in gout patients with hyperuricemia and without hyperuricemia are higher than in healthy persons with a P < 0.001. CONCLUSIONS: This study supplements previous researches by confirming that xanthine and hypoxanthine are significantly elevated in gout patients' serum especially in patients' with normouricemia, which supported xanthine and hypoxanthine may have clinical application for the diagnosis of gout.

Quantitative detection of acyclovir by surface enhanced Raman spectroscopy using a portable Raman spectrometer coupled with multivariate data analysis.

Acyclovir (ACV) is a synthetic antiviral agent with serious side effect, particularly its nephrotoxicity, so this study was to explore the ultrasensitive detection of ACV by surface-enhanced Raman scattering (SERS). The enhancement capability of nanoparticles prepared by different chemical reduction were compared, and Ag nanoparticles reduced by citrate are the most propriate enhanced substrate for acyclovir. In addition, comparison between prominent SERS-enhanced bands and the precise mode descriptions predicted through density functional theory (DFT) simulations is used to understand the mechanisms between ACV and metallic surface. 130 different levels of ACV concentrations in a range from 10-1∼10-7 were used to build quantitative prediction models by two different modeling methods, partial least-squares (PLS) regression and artificial neural network (ANN). Under the optimal conditions, the performance of the PLS model was much better than ANN. The results demonstrated that SERS imaging with multivariate analysis holds great potential for the sensitive and cost effective clinic test of ACV and its metabolites in biological fluids.

A novel strategy to evaluate the quality of herbal products based on the chemical profiling, efficacy evaluation and pharmacokinetics.

The purpose of this study was to establish a chemical profiling method to compare the chemical composition of herbal products by using extracts of Belamcandae Rhizoma(EBR) extracted with different polarity solvent as an example, and evaluate the quality of EBR based on the analysis of chemical profiling, efficacy evaluation and pharmacokinetics. As seen from the results of chemical profiling, the PCA and PLS-DA score plot indicated that the dots of Belamcandae Rhizoma water extracts were separated from ethanol extracts obviously, which suggested significant differences of chemical profiling existing in the different solvent extracts. The PCA and PLS-DA loading plot illustrated that the main compounds contributing to chemical profiling differences were tectoridin(TD), iristectorin B(IT B), iridin(ID), tectorigenin(TG), irigenin(IG), iristectorigein A(IG A), dichotomitin(DT) and irisflorentin(IF). Furthermore, the results of HPLC analysis demonstrated that the contents of these main compounds in ethanol extracts were significantly higher than that in water extracts (P < 0.01). Both the pharmacological and hematoxylin-eosin staining studies indicated that the ethanol extracts of Belamcandae Rhizoma had a better therapeutic effect than water extracts in oral ulcer model rats (P<0.01). It is suggested that the ethanol extracts were beneficial to the absorption and bioavailability of TG which was one of the most important bioactive compounds of Belamcandae Rhizoma in pharmacokinetic study in rats. This work provided a novel method to optimize the extraction process of EBR and related herbal products. Compared with the conventional chemical fingerprint methodology, the approach proposed above is not only a powerful tool to identify efficacy-related components for the quality evaluation, but also can be used to predict the therapeutic efficacy of herbal products.

Managed grassland alters soil N dynamics and N2O emissions in temperate steppe.

Reclamation of degraded grasslands as managed grasslands has been increasingly accelerated in recent years in China. Land use change affects soil nitrogen (N) dynamics and nitrous oxide (N2O) emissions. However, it remains unclear how large-scale grassland reclamation will impact the grassland ecosystem as a whole. Here, we investigated the effects of the conversion from native to managed grasslands on soil N dynamics and N2O emissions by field experiments in Hulunber in northern China. Soil (0-10cm), nitrate (NO3-), ammonium (NH4+), and microbial N were measured in plots in a temperate steppe (Leymus chinensis grassland) and two managed grasslands (Medicago sativa and Bromus inermis grasslands) in 2011 and 2012. The results showed conversion of L. chinensis grassland to M. sativa or B. inermis grasslands decreased concentrations of NO3--N, but did not change NH4+-N. Soil microbial N was slightly decreased by the conversion of L. chinensis grassland to M. sativa, but increased by the conversion to B. inermis. The conversion of L. chinensis grassland to M. sativa (i.e., a legume grass) increased N2O emissions by 26.2%, while the conversion to the B. inermis (i.e., a non-legume grass) reduced N2O emissions by 33.1%. The conversion from native to managed grasslands caused large created variations in soil NO3--N and NH4+-N concentrations. Net N mineralization rates did not change significantly in growing season or vegetation type, but to net nitrification rate. These results provide evidence on how reclamation may impact the grassland ecosystem in terms of N dynamics and N2O emissions.

Simultaneous Determination of Isopyrazam and Azoxystrobin in Cucumbers by Liquid Chromatography-Tandem Mass Spectrometry.

A rapid and sensitive analytical method based on high-performance liquid chromatography-tandem mass spectrometry was developed and validated for the determination of isopyrazam (IZM) and azoxystrobin (AZT) in cucumbers. A modified QuEChERS (quick, easy, cheap, effective, rugged, and safe) method was used as the pretreatment procedure. The samples were extracted with acetonitrile and cleaned up with octadecylsilyl silica (C18) and graphite carbon black. The proposed method resulted in satisfactory recovery of IZM and AZT (91.48 to 114.62%), and relative standard deviations were less than 13.1% at fortification concentrations of 1, 20, and 500 µg kg-1 (n = 3). The limits of quantification for IZM and AZT were 0.498 and 0.499 µg kg-1, respectively, which are far below the maximum residue level (0.5 mg kg-1) established for this type of sample. Matrix effects were also evaluated. This study established a sensitive and fast method for the detection of IZM and AZT in cucumber samples.

Unexpected hydrated ions in the detection of sodium adduct coumarins using electrospray tandem mass spectrometry.

A series of coumarins were analyzed using electrospray ionization quadrupole time-of-flight tandem mass spectrometry in the positive-ion mode. Unexpected hydrated ions ([M + H2O + Na]+) was observed upon collision-induced dissociation of the sodiated ions ([M + Na]+) of eight coumarins. Several factors which affected relative abundance of [M + H2O + Na]+ ions such as collision energy, concentration and solvent were investigated. None of them have effect on the relative abundance of [M + H2O + Na]+. However, the peak of hydrated ions was not detected in the further collision-induced dissociation of protonated ions of coumarins. Apigenin and Quercetin sharing similar benzopyrone structural unit with coumarins are selected for tandem mass spectrometry analysis. There were no hydrated ions in their tandem mass spectrometry spectra of the precursor [M + Na]+ ions. Thus, both coumarins and sodium were necessary for the formation of [M + H2O + Na]+. Together with the result that hydrated ions are not formed by hydrolysis reactions, a six-membered ring structure which involves with the formation of [M + H2O + Na]+ was presented. And D-labeling experiment indicates that the H2O molecule did not come from solvent.

Near-infrared Spectroscopy as a Process Analytical Technology Tool for Monitoring the Parching Process of Traditional Chinese Medicine Based on Two Kinds of Chemical Indicators.

BACKGROUND: The active ingredients and thus pharmacological efficacy of traditional Chinese medicine (TCM) at different degrees of parching process vary greatly. OBJECTIVE: Near-infrared spectroscopy (NIR) was used to develop a new method for rapid online analysis of TCM parching process, using two kinds of chemical indicators (5-(hydroxymethyl) furfural [5-HMF] content and 420 nm absorbance) as reference values which were obviously observed and changed in most TCM parching process. MATERIALS AND METHODS: Three representative TCMs, Areca (Areca catechu L.), Malt (Hordeum Vulgare L.), and Hawthorn (Crataegus pinnatifida Bge.), were used in this study. With partial least squares regression, calibration models of NIR were generated based on two kinds of reference values, i.e. 5-HMF contents measured by high-performance liquid chromatography (HPLC) and 420 nm absorbance measured by ultraviolet-visible spectroscopy (UV/Vis), respectively. RESULTS: In the optimized models for 5-HMF, the root mean square errors of prediction (RMSEP) for Areca, Malt, and Hawthorn was 0.0192, 0.0301, and 0.2600 and correlation coefficients (Rcal) were 99.86%, 99.88%, and 99.88%, respectively. Moreover, in the optimized models using 420 nm absorbance as reference values, the RMSEP for Areca, Malt, and Hawthorn was 0.0229, 0.0096, and 0.0409 and Rcal were 99.69%, 99.81%, and 99.62%, respectively. CONCLUSIONS: NIR models with 5-HMF content and 420 nm absorbance as reference values can rapidly and effectively identify three kinds of TCM in different parching processes. This method has great promise to replace current subjective color judgment and time-consuming HPLC or UV/Vis methods and is suitable for rapid online analysis and quality control in TCM industrial manufacturing process. SUMMARY: Near-infrared spectroscopy.(NIR) was used to develop a new method for online analysis of traditional Chinese medicine.(TCM) parching processCalibration and validation models of Areca, Malt, and Hawthorn were generated by partial least squares regression using 5.(hydroxymethyl) furfural contents and 420.nm absorbance as reference values, respectively, which were main indicator components during parching process of most TCMThe established NIR models of three TCMs had low root mean square errors of prediction and high correlation coefficientsThe NIR method has great promise for use in TCM industrial manufacturing processes for rapid online analysis and quality control. Abbreviations used: NIR: Near-infrared Spectroscopy; TCM: Traditional Chinese medicine; Areca: Areca catechu L.; Hawthorn: Crataegus pinnatifida Bge.; Malt: Hordeum vulgare L.; 5-HMF: 5-(hydroxymethyl) furfural; PLS: Partial least squares; D: Dimension faction; SLS: Straight line subtraction, MSC: Multiplicative scatter correction; VN: Vector normalization; RMSECV: Root mean square errors of cross-validation; RMSEP: Root mean square errors of validation; Rcal: Correlation coefficients; RPD: Residual predictive deviation; PAT: Process analytical technology; FDA: Food and Drug Administration; ICH: International Conference on Harmonization of Technical Requirements for Registration of Pharmaceuticals for Human Use.

[The Study of Methodology Validation in Multicomponent Quantitative Analysis of Raman Spectroscopy].

Raman spectroscopy with the help of sophisticated data analysis techniques based on multivariate analysis have made it possible to study the full information of Raman spectra and to draw conclusions about the chemical structure and composition of very complex systems. As Raman spectroscopy has the advantage to provide rich information of the sample, so it was first included in Chinese Pharmacopoeia (2010) as "Annex XIX L Guidelines of Raman spectroscopy". However the validation method for multicomponent quantitative analysis of Raman spectroscopy was not discussed in this pharmacopoeia. The purpose of this study was to develop innovatively the validation method for the Raman model in multicomponent quantitative analysis. Two kinds of samples with different matrix background were used to study the self-performance test of the instrument, linearity, limit of quantitation, accuracy and precision, respectively. As the sample was complex composition in our study, so there is no need to provide sample blank and rupture test for specificity study which was carried out in the traditional method of experiments. As the result showed, we propose a validation method for Raman spectroscopy in multicomponent analysis for the further study and improvement of standards of the method.