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Metaheuristic algorithms are widely used in engineering problems due to their high efficiency and simplicity. However, engineering challenges often involve multiple control variables, which present significant obstacles for metaheuristic algorithms. The Crested Porcupine Optimizer (CPO) is a metaheuristic algorithm designed to address engineering problems, but it faces issues such as falling into a local optimum. To address these limitations, this article proposes three new strategies: composite Cauchy mutation strategy, adaptive dynamic adjustment strategy, and population mutation strategy. The three proposed strategies are then introduced into CPO to enhance its optimization capabilities. On three well-known test suites, the improved CPO (CAPCPO) outperforms 11 metaheuristic algorithms. Finally, comparative experiments on seven real-world engineering optimization problems demonstrate the advantages and potential of CAPCPO in solving complex problems. The multifaceted experimental results indicate that CAPCPO consistently achieves superior solutions in most cases.

Photoelectric dual-mode sensors, which respond to strain signal through photoelectric dual-signals, hold great promise as wearable sensors in human motion monitoring. In this work, a photoelectric dual-mode sensor based on photonic crystals hydrogel was developed for human joint motion detection. The optical signal of the sensor originated from the structural color of photonic crystals, which was achieved by tuning the polymethyl methacrylate (PMMA) microspheres diameter. The reflective peak of the sensor, based on 250 nm PMMA PCs, shifted from 623 nm to 492 nm with 100% strain. Graphene was employed to enhance the electrical signal of the sensor, resulting in a conductivity increase from 9.33 × 10−4 S/m to 2 × 10−3 S/m with an increase in graphene from 0 to 8 mg·mL−1. Concurrently, the resistance of the hydrogel with 8 mg·mL−1 graphene increased from 160 kΩ to 485 kΩ with a gauge factor (GF) = 0.02 under 100% strain, while maintaining a good cyclic stability. The results of the sensing and monitoring of finger joint bending revealed a significant shift in the reflective peak of the photoelectric dual-mode sensor from 624 nm to 526 nm. Additionally, its resistance change rate was measured at 1.72 with a 90° bending angle. These findings suggest that the photoelectric dual-mode sensor had the capability to detect the strain signal with photoelectric dual-mode signals, and indicates its great potential for the sensing and monitoring of joint motion.

This article systematically reviews the extraction and purification methods, structural characteristics, structure–activity relationship, and health benefits of C. speciosa polysaccharides, and their potential application in food, medicine, functional products, and feed, in order to provide a useful reference for future research. Chaenomeles speciosa (Sweet) Nakai. has attracted the attention of health consumers and medical researchers as a traditional Chinese medicine with edible, medicinal, and nutritional benefits. According to this study, C. speciosa polysaccharides have significant health benefits, such as anti-diaetic, anti-inflammatory and analgesic, anti-tumor, and immunomodulatory effects. Researchers determined the molecular weight, structural characteristics, and monosaccharide composition and ratio of C. speciosa polysaccharides by water extraction and alcohol precipitation. This study will lay a solid foundation for further optimization of the extraction process of C. speciosa polysaccharides and the development of their products. As an active ingredient with high value, C. speciosa polysaccharides are worthy of further study and full development. C. speciosa polysaccharides should be further explored in the future, to innovate their extraction methods, enrich their types and biological activities, and lay a solid foundation for further research and development of products containing polysaccharides that are beneficial to the human body.

Cancer represents one of the most significant health challenges currently facing humanity, and plant-derived antitumour drugs represent a prominent class of anticancer medications in clinical practice. Isovaleryl sucrose esters, which are natural constituents, have been identified as having potential antitumour effects. However, the mechanism of action remains unclear. In this study, 12 isovaleryl sucrose ester components, including five new (1–5) and seven known compounds (6–12), were isolated from the roots of Atractylodes japonica. The structures of the compounds were elucidated using 1D and 2D-NMR spectroscopy, complemented by HR-ESI-MS mass spectrometry. The cytotoxic activities of all the compounds against human colon cancer cells (HCT-116) and human lung adenocarcinoma cells (A549) were also evaluated using the CCK8 assay. The results demonstrated that compounds 2, 4, and 6 were moderately inhibitory to HCT-116 cells, with IC50 values of 7.49 ± 0.48, 9.03 ± 0.21, and 13.49 ± 1.45 μM, respectively. Compounds 1 and 6 were moderately inhibitory to A549, with IC50 values of 8.36 ± 0.77 and 7.10 ± 0.52 μM, respectively. Molecular docking revealed that compounds 1–9 exhibited a stronger affinity for FGFR3 and BRAF, with binding energies below −7 kcal/mol. Compound 2 exhibited the lowest binding energy of −10.63 kcal/mol to FGFR3. We screened the compounds with lower binding energies, and the protein-ligand complexes already obtained after molecular docking were subjected to exhaustive molecular dynamics simulation experiments, which simulated the dynamic behaviour of the molecules in close proximity to the actual biological environment, thus providing a deeper understanding of their functions and interaction mechanisms. The present study provides a reference for the development and use of iso-valeryl sucrose esters in the antitumour field.

Freeze–thaw effect is one of the most important environmental conditions that rocks may be subjected to. Through laboratory model tests, the damage characteristics of rocks under the FTC were studied. Based on assuming that the strength of rocks subject to the FTC follows the Weibull distribution, the cumulative damage variable of the number of FTCs was introduced. A cumulative damage constitutive model of shear strength attenuation of rock that meets the Mohr–Coulomb criterion is established. The rationality and applicability of the proposed damage constitutive model are verified by comparing the results of rock shear strength parameters under cyclic freeze–thaw loads.

Regional haze often occurs after the New Year holiday. To explore the characteristics of PM2.5 pollutions under the influence of the New Year’s Day effect, this study analyzed the spatiotemporal changes relating to PM2.5 during and around the New Year’s Day holiday in China from 2015 to 2022, and used the Weather Research and Forecasting-Community Multiscale Air Quality (WRF-CMAQ) model to study the effects of human activities and meteorological factors on PM2.5 pollutions, as well as the differences in the contributions of different industries to PM2.5 pollutions. The results show that for the entire study period (i.e., before, during, and after the New Year’s Day holiday) from 2015 to 2022, the average concentrations of PM2.5 in China decreased by 41.9% overall. In 2019~2022, the New Year’s Day effect was significant, meaning that the average concentrations of PM2.5 increased by 18.9~46.8 μg/m3 from before to after the New Year’s Day holiday, with its peak occurring (64.3~74.9 μg/m3) after the holiday. In terms of spatial differences, the average concentrations of PM2.5 were higher in the Beijing–Tianjin–Hebei region, the Yangtze River Delta, and central China. Moreover, the Beijing–Tianjin–Hebei region and its surrounding areas, the Chengdu–Chongqing region, the Fenwei Plain, and the middle reaches of the Yangtze River region were greatly affected by the New Year’s Day effect. Human activities led to higher increases in PM2.5 in Henan, Hubei, Hebei, and Anhui on 3 and 4 January 2022. If the haze was accompanied by cloudy days or weak precipitation, the accumulation of surface water vapor and atmospheric aerosols further increased the possibility of heavy pollution. It was found that, for the entire study period, PM2.5 generated by residential sources contributed the vast majority (60~100 μg/m3) of PM2.5 concentrations, and that the main industry sources that caused changes in time distributions were industrial and transportation sources.

We present a new explicit quasi-Lagrangian integration scheme with the three-dimensional cubic spline function transform (transform = fitting + interpolation, referred to as the “spline format”) on a spherical quasi-uniform longitude–latitude grid. It is a consistent longitude–latitude grid, and to verify the feasibility, accuracy, convergence, and stability of the spline format interpolation scheme for the upstream point on the longitude–latitude grid, which may map a quasi-uniform longitude–latitude grid, a set of ideal, exact test schemes is adopted, which are recognized and proven to be effective internationally. The equilibrium flow test, cross-polar flow test, and Rossby–Haurwitz wave test are used to illustrate the spline scheme uniformity to the linear scheme and to overcome the over-dense grid in the polar region and the non-singularity of the poles. The cross-polar flow test demonstrates that the geostrophic wind crosses the polar area correctly, including the South Pole and North Pole. A non-hydrostatic, fully compressible dynamic core is used to complete the density flow test, demonstrating the existence of a time-varying reference atmosphere and that the spline format can simulate highly nonlinear fine-scale transient flows. It can be compared for the two results of the density flow test between the solution with the spline format and the benchmark reference solution with the linear format. Based on the findings, the non-hydrostatic dynamic core with the spline format is recommended for adoption. When simulated for the flow over an ideal mountain, through the “topographic gravity wave test”, the bicubic surface terrain and terrain-following height coordinates, time-split integration, and vector discrete decomposition can be derived successfully. These may serve as the foundations for a global, unified spline-format numerical model in the future.

The onboard energy supply of Autonomous Underwater Vehicles (AUVs) is one of the main limiting factors for their development. The existing methods of deploying and retrieving AUVs from mother ships consume a significant amount of energy during submerging and surfacing, resulting in a small percentage of actual working time. Underwater docking chambers provide support to AUVs underwater, saving their precious energy and addressing this issue. When an AUV cluster is assigned multiple tasks, scheduling the cluster becomes essential, and task allocation and path planning are among the core problems in AUV cluster scheduling research. In this paper, based on the underwater docking chamber, an Improved Genetic Local Search Algorithm with Prior Knowledge (IGLSAPK) is proposed to simultaneously solve the task allocation and path planning problems. Under constraints such as onboard energy supply, AUV quantity, and AUV type, the algorithm groups AUVs, assigns tasks, and plans paths to accomplish tasks at different locations, aiming to achieve overall efficiency. The algorithm first generates an initial population using prior knowledge to improve its search efficiency. It then combines an improved local search algorithm to efficiently solve large-scale, complex, and highly coupled problems. The algorithm has been evaluated through simulation experiments and comparative experiments, and the results demonstrate that the proposed algorithm outperforms other algorithms in terms of speed and optimality. The algorithm presented in this paper addresses the grouping, task allocation, and path planning problems in heterogeneous AUV clusters. Its practical significance lies in its ability to handle tasks executed by a heterogeneous AUV group, making it more practical compared to previous algorithms.

Plasmas confined in a dipole magnetic field widely exist in both space and laboratories, and this kind of plasma draws much attention from researchers both in plasma physics and in space science. In this paper, the characteristics of the collisionless electrostatic instability of the entropy mode in a dipole-magnetic-confined plasma are simulated with the linear gyrokinetic model. It is found that the entropy mode can be generated in dipole-magnetic-confined plasmas, and there are two typical stages of the entropy mode, with another transitional stage at different values of η. The main instability changes from the ion diamagnetic drift to the electronic diamagnetic drift as η becomes larger. In addition, the MHD mode predicts that the most stable point is at η~2/3 when k⊥ρi << 1. However, we find that η and k⊥ρi are coupled with each other, and the most stable point of the mode moves gradually to η~1 as k⊥ρi increases. There is a peak value for the entropy mode growth rate around k⊥ρi~1.0, and more complicated modes are induced so that the dispersion relation has been changed when the driving force of the plasma pressure gradient effect is obvious. For example, the characteristics of the interchange-like modes gradually emerge when the driving effect of the plasma pressure becomes stronger. Further investigations should be taken to reveal the characteristics of the entropy mode in magnetospheric plasmas.

Uncaria rhynchophylla (Gouteng in Chinese, GT) is the main medicine in many traditional recipes in China. It is commonly used to alleviate central nervous system (CNS) disorders, although its mechanism in Alzheimer’s disease is still unknown. This study was designed to predict and validate the underlying mechanism in AD treatment, thus illustrating the biological mechanisms of GT in treating AD. In this study, a PPI network was constructed, KEGG analysis and GO analysis were performed, and an “active ingredient-target-pathway” network for the treatment of Alzheimer’s disease was constructed. The active ingredients of GT were screened out, and the key targets were performed by molecular docking. UHPLC-Q-Exactive Orbitrap MS was used to screen the main active ingredients and was compared with the network pharmacology results, which verified that GT did contain the above ingredients. A total of targets were found to be significantly bound up with tau, Aβ, or Aβ and tau through the network pharmacology study. Three SH-SY5Y cell models induced by okadaic acid (OA), Na2S2O4, and H2O2 were established for in vitro validation. We first found that GT can reverse the increase in the hyperphosphorylation of tau induced by OA to some extent, protecting against ROS damage. Moreover, the results also indicated that GT has significant neuroprotective effects. This study provides a basis for studying the potential mechanisms of GT in the treatment of AD.

Thermoelectric materials are widely used in refrigeration chips, thermal power generation, catalysis and other fields. Mg3Bi2-based thermoelectric material is one of the most promising thermoelectric materials. Herein, the Mg3Bi2-based samples were prepared by high temperature synthesis, and the influence of Mg/Sb content on the electrical transport properties and semi-conductivity/semi-metallicity of the materials has been studied. The results indicate that the efficiency of introducing electrons from excess Mg prepared by high temperature synthesis is lower than that introduced by ball milling, due to the high vapor pressure of Mg. The doping of Sb/Te at the Bi site would make it easier for the material to change from p-type conduction to n-type conduction. With the increase in Mg content, the semi-conductivity of the material becomes weaker, the semi-metallicity becomes stronger, and the corresponding conductivity increases. With the increase in Sb content, the samples exhibit the opposite changes. The highest power factor of ~1.98 mWm−1K−2 is obtained from the Mg3.55Bi1.27Sb0.7Te0.03 sample.

BiCuSeO has great application prospects in thermoelectric power generation and thermoelectric catalysis, but it is limited by its lower thermoelectric performance. Herein, BiCuSeO bulk materials were prepared using a solid-phase reaction method and a ball-milling method combined with spark plasma sintering, and then the thermoelectric properties were improved by synergistically increasing carrier concentration and mobility. Al was adopted to dope into the BiCuSeO matrix, aiming to adjust the carrier mobility through energy band adjustment. The results show that Al doping would widen the bandgap and enhance the carrier mobility of BiCuSeO. After Al doping, the thermoelectric properties of the material are improved in the middle- and high-temperature range. Based on Al doping, Pb is adopted as the doping element to dope BiCuSeO to modify the carrier concentration. The results show that Al/Pb dual doping in the BiCuSeO matrix can increase the carrier concentration under the premise of increasing carrier mobility. Therefore, the electrical conductivity of BiCuSeO can be improved while maintaining a large Seebeck coefficient. The power factor of Al/Pb doping reached ~7.67 μWcm−1K−2 at 873 K. At the same time, the thermal conductivity of all doped samples within the test temperature range maintained a low level (−1K−1). Finally, the ZT value of the Al/Pb-doped BiCuSeO reached ~1.14 at 873 K, which is ~2.72 times that of the pure phase, and the thermoelectric properties of the matrix were effectively improved.

In this study, we developed an ultra-performance liquid chromatography-electrospray tandem quadrupole mass spectrometry (UHPLC-ESI-MS/MS) method to simultaneously determine Picroside-I, Picroside-II, Picroside-III, minecoside, and sweroside in rat plasma. The chromatographic column was an ACQUITY UHPLC® BEH Amide Column (2.1 × 100 mm, 1.7 µm; Waters, MA, USA), column temperature 40 °C. The mobile phase was 0.1% formic acid aqueous solution–0.1% formic acid acetonitrile solution. The flow rate was 0.4 mL/min. Multiple reaction monitoring (MRM) and negative ion modes were adopted. The results showed that the calibration curves of five compounds in plasma showed good linearity (r > 0.9911) over the studied dose range. The lower limits of quantification (LLOQ) for Picroside-I, Picroside-II, Picroside-III, minecoside, and sweroside were 6.876, 5.193, 5.040, 1.260, and 4.527 ng/mL, respectively. The intra-day and inter-day precision were Tmax were 1.1 ± 0.2, 1.1 ± 0.1, 0.8 ± 0.1, 1.0 ± 0.2, and 2.1 ± 0.1 h. This study will be useful in understanding the behavior of drugs in the body and the body’s effect on drugs. It also offers theoretical underpinnings and highlights the importance of clinical applications and creating novel drugs.

Bubble-propelled Janus micromotors have attracted extensive attention in recent years and have been regarded as powerful tools in the environmental and medical fields due to their excellent movement ability. The movement ability can mainly be attributed to the periodic growth, detachment, and/or collapse of the bubble. However, subjected to the experimental conditions, the mechanism of bubble evolution on the motion of the micromotor could not be elucidated clearly. In this work, a finite element method was employed for exploring the role of bubble evolution in bubble-propelled Janus micromotors, which emphasized the growth and collapse of bubbles. After the proposed model was verified by the scallop theorem, the influence of the growth and rapid collapse of bubbles on micromotors was investigated. Results show that the growth and collapse of a bubble can drive the micromotor to produce a displacement, but the displacement caused by a bubble collapse is significantly greater than that caused by bubble growth. The reasons for this phenomenon are analyzed and explained. In addition to the influence of bubble size, the collapse time of the bubble is also investigated.

An ultrasensitive single-axis in-plane micro-optical-electro-mechanical-system (MOEMS) accelerometer based on the Talbot effect of dual-layer gratings is proposed. Based on the Talbot effect of gratings, the acceleration can be converted into the variation of diffraction intensity, thus changing the voltage signal of photodetectors. We investigated and optimized the design of the mechanical structure; the resonant frequency of the accelerometer is 1878.9 Hz and the mechanical sensitivity is 0.14 μm/g. And the optical grating parameters have also optimized with a period of 4 μm and a grating interval of 10 μm. The experimental results demonstrated that the in-plane MOEMS accelerometer with an optimal design achieved an acceleration sensitivity of 0.74 V/g (with better than 0.4% nonlinearity), a bias stability of 75 μg and an acceleration resolution of 2.0 mg, suggesting its potential applications in smartphones, automotive electronics, and structural health detection.

A conventional way to monitor severe convective weather is using the composite reflectivity of radar as an indicator. For oceanic areas without radar deployment, reconstruction from satellite data is useful. However, those reconstruction models built on a land dataset are not directly applicable to the ocean due to different underlying surfaces. In this study, we built reconstruction models based on U-Net (named STR-UNet) for different underlying surfaces (land, coast, offshore, and sea), and evaluated their applicability to the ocean. Our results suggest that the comprehensive use of land, coast, and offshore datasets should be more suitable for reconstruction in the ocean than using the sea dataset. The comprehensive performances (in terms of RMSE, MAE, POD, CSI, FAR, and BIAS) of the Land-Model, Coast-Model, and Offshore-Model in the ocean are superior to those of the Sea-Model, e.g., with RMSE being 5.61, 6.08, 5.06, and 7.73 in the oceanic area (Region B), respectively. We then analyzed the importance of different types of features on different underlying surfaces for reconstruction by using interpretability methods combined with physical meaning. Overall, satellite cloud-related features are most important, followed by satellite water-related features and satellite temperature-related features. For the transition of the model from land to coast, then offshore, the importance of satellite water-related features gradually increases, while the importance of satellite cloud-related features and satellite temperature-related features gradually decreases. It is worth mentioning that in the offshore region, the importance of satellite water-related features slightly exceeds the importance of satellite cloud-related features. Finally, based on the performance of the case, the results show that the STR-UNet reconstruction models we established can accurately reconstruct the shape, location, intensity, and range of the convective center, achieving the goal of detecting severe convective weather where a radar is not present.

The Fourier–Merlin transform method, multi-scale optical flow method, and Weibull distribution are used to integrate the GRAPES_3 km model and Radar Extrapolation Forecast (REF) both developed independently by China. Taking GRAPES_3 km, Wuhan Rapid Update Cycle (WHRUC), and the REF as examples, the prediction performance of the Blending forecast is evaluated comprehensively by the traditional point-to-point method. A new spatial test method is introduced to evaluate the applicability and difference of high-resolution model evaluation. The area, position, shape, and intensity of the precipitation area are matched through the target object test method. The potential forecast information of the spatial field is obtained and the related results are compared and analyzed. The results show that: (1) the comprehensive application of various evaluation methods can evaluate the convective storm forecast more comprehensively. The Blending forecast effect is obviously better than those of other models by using the point-to-point scoring method, especially in the heavy precipitation forecast. The shorter the prediction time is, the better the effect is. (2) The new spatial test method can evaluate the prediction effect of convective storm characteristics, and the target recognition hit rate of the Blending forecast is highest. The scores of target area, position, shape, and median intensity of precipitation are better than those of other forecasts. The variation in the east–west direction is less than that in the north–south direction, which is basically consistent with the actual observation. The variation range of the forecast grid before and after translation is the closest to the reality. (3) The Blending forecast method combines the advantages and disadvantages of the numerical model and REF, which can not only grasp the precipitation area but also improve the prediction ability of rainfall intensity. The traditional point-to-point scoring method and the new spatial test method have the same conclusion as the convective storm forecast of the high-resolution model, which has a certain reference value, and the new spatial test method can provide more detailed evaluation information.

Zinc oxide is a crucial component in rubber products, but its excessive usage can lead to environmental damage. As a result, reducing the amount of zinc oxide in products has become a critical issue that many researchers aim to address. This study employs a wet precipitation method to prepare ZnO particles with different nucleoplasmic materials, resulting in ZnO with a core–shell structure. The prepared ZnO underwent XRD, SEM, and TEM analysis, indicating that some of the ZnO particles were loaded onto the nucleosomal materials. Specifically, ZnO with a silica core–shell structure demonstrated 11.9% higher tensile strength, 17.2% higher elongation at break, and 6.9% higher tear strength compared to the indirect method of ZnO preparation. The core–shell structure of ZnO also helps reduce its application in rubber products, thereby achieving the dual objective of protecting the environment and improving the economic efficiency of rubber products.

To obtain highly sensitive, accurate, fast, and repeatable measurements of waveplate parameters over an entire clear aperture, a novel measurement method using dual differential frequency photoelastic modulations is proposed. Simple polarimetry is conducted based on two photoelastic modulators, which operate at different frequencies. The fast-axis azimuth and retardance parameters of the waveplate are loaded into the modulation signals. Employing digital phase-locked technology, the fundamental and differential frequency harmonic terms are extracted, and then the two parameters of the waveplate are demodulated. The principle is analyzed, and the measurement system is built for verification experiments. The experimental results reveal that the two parameters of the waveplate are simultaneously measured over the entire clear aperture. The standard deviations of the fast-axis azimuth and retardance are 0.02° and 0.03 nm, respectively, and the maximum relative deviations of the fast-axis azimuth and retardance are 0.6% and 0.06%, respectively. The single-point data measurement time is only 200 ms. The proposed method exhibits high precision and speed, and provides an effective quality inspection and calibration method for waveplates.

The incidence of colon cancer is increasing year over year, seriously affecting human health and quality of life in recent years. However, traditional Chinese medicine (TCM) has been utilized for the treatment of colon cancer. S. officinalis Saponins (S-Saponins), the potential compound of TCM, displays multiple biological activities in colon cancer treatment. In our study, ultra-high-performance liquid chromatography–tandem mass spectrometry (UHPLC-MS/MS) combined with multivariate statistical analysis were performed to analyze and identify raw and processed saponins. Then, MTT and cell migration assays were used to preliminarily explore the effects of saponins in vitro on colon cancer cells. The results showed that 29 differential saponins compounds under Paozhi were identified by UHPLC-MS/MS. Moreover, in vitro validation showed that Sprocessed better inhibited the proliferation and migration of colon cancer cells than Sraw. This study provides a basis for the determination of the chemical fundamentals of the efficacy changes during Paozhi through inferring the changes in saponin components and its possible transformation mechanisms before and after processing S. officinalis. Meanwhile, it also provides new insights into potential bioactive ingredients for the treatment of colon cancer.

To develop fast and integrated spectrometry, we present a new method of compressed sensing spectrometry based on electro-optical transmittance coding. A LiNbO3 electro-optic modulator was applied to a directly compressed measurement code in the spectral dimension. Subsequently, a sequential forward floating selection algorithm was employed to select the coding measurement matrix, and sparsity adaptive matching pursuit was used as a solver algorithm. The principle was analyzed, and the measurement system was built for verification experiments. The experimental results reveal that the spectral reconstruction relative error is in the order of 10−2, and the full width at half maximum of the spectral measurement is as high as 1.2 nm. The spectral resolution can reach approximately 0.4 nm in the visible light band range (0.38–0.78 μm) with 1024 spectral channels. The compressed ratio of the compressed sensing spectrometry is up to 1:29. Furthermore, the spectral signal measurement time is only 0.25 ms. The study demonstrates a novel method, which exhibits high precision, speed, high compressed ratio and hyperspectral resolution.

Dehydrocostus lactone (DL) is among the representative ingredients of traditional Chinese medicine (TCM), with excellent anticancer, antibacterial, and anti-inflammatory activities. In this study, an advanced strategy based on ultra-high-performance liquid chromatography–quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC–Q-Orbitrap HRMS) was integrated to comprehensively explore the metabolic fate of DL in rats. First, prior to data collection, all biological samples (plasma, urine, and feces) were concentrated and purified using solid-phase extraction (SPE) pre-treatment technology. Then, during data collection, in the full-scan (FS) data-dependent acquisition mode, FS-ddMS2 was intelligently combined with FS-parent ion list (PIL)-dynamic exclusion (DE) means for targeted monitoring and deeper capture of more low-abundance ions of interest. After data acquisition, data-mining techniques such as high-resolution extracted ion chromatograms (HREICs), multiple mass defect filters (MMDFs), diagnostic product ions (DPIs), and neutral loss fragments (NLFs) were incorporated to extensively screen and profile all the metabolites in multiple dimensions. As a result, a total of 71 metabolites of DL (parent drug included) were positively or tentatively identified. The results suggested that DL in vivo mainly underwent hydration, hydroxylation, dihydrodiolation, sulfonation, methylation, dehydrogenation, dehydration, N-acetylcysteine conjugation, cysteine conjugation, glutathione conjugation, glycine conjugation, taurine conjugation, etc. With these inferences, we successfully mapped the “stepwise radiation” metabolic network of DL in rats, where several drug metabolism clusters (DMCs) were discovered. In conclusion, not only did we provide a refined strategy for inhibiting matrix effects and fully screening major-to-trace metabolites, but also give substantial data reference for mechanism investigation, in vivo distribution visualization, and safety evaluation of DL.

Non-alcoholic fatty liver disease (NAFLD), an important chronic disease, is one of the major causes of high mortality and creates a substantial financial burden worldwide. The various immune cells in the liver, including macrophages, NK cells, dendritic cells, and the neutrophils involved in the innate immune response, trigger inflammation after recognizing the damage signaled from infection or injured cells and tissues. The stimulator of interferon genes (STING) is a critical molecule that binds to the cyclic dinucleotides (CDNs) generated by the cyclic GMP-AMP synthase (cGAS) to initiate the innate immune response against infection. Previous studies have demonstrated that the cGAS-STING pathway plays a critical role in inflammatory, auto-immune, and anti-viral immune responses. Recently, studies have focused on the role of STING in liver diseases, the results implying that alterations in its activity may be involved in the pathogenesis of liver disorders. Here, we summarize the function of STING in the development of NAFLD and present the current inhibitors and agonists targeting STING.

For change detection in remote sensing images, supervised learning always relies on bi-temporal images as inputs and 2-class/multi-class classifiers as outputs. On the other hand, change detection can be viewed as a metric learning problem, i.e., changed areas should be dissimilar while unchanged areas should be similar. In this paper, we study several metric learning formulations for change detection. A strong baseline is achieved by training on pair-wise images with Reverted Contrastive Loss (RCL) with hard mining. Motivated by the success of triplet loss, we seek two sources of triplet pairs from the bi-temporal images, and a novel Spatial–Temporal Triplet Loss (STTL) is proposed. The proposed triplet loss is further validated on semantic change detection, where semantic labels are provided for the changed areas. The experimental results prove state-of-the-art performance on both binary and semantic change detection.

A selective and rapid ultra-high-performance liquid chromatography–tandem mass spectrometry (UHPLC–MS/MS) method was established and validated for the determination of ziyuglycoside I, 3β,19α-dihydroxyurs-12-en-28-oic-acid 28-β-d-glucopyranosyl ester, and pomolic acid in rats after the oral administration of ziyuglycoside I, 3β,19α-dihydroxyurs-12-en-28-oic-acid 28-β-d-glucopyranosyl ester, pomolic acid, and Sanguisorba officinalis L. extract. The separation was carried out on an ACQUITY UPLC®HSS T3 column (2.1 mm × 100 mm, 1.8 μm), using methanol and 5 mmol/L ammonium acetate water as the mobile phase. The three compounds were quantified using the multiple reaction monitoring mode with the electrospray ion source in both the positive and negative mode. Liquid-liquid extraction was applied to the plasma sample preparation. Bifendate was selected as the internal standard. The intra-day and inter-day precision and the accuracy of the method were all within receivable ranges. The lower limit of quantification of ziyuglycoside I, 3β,19α-dihydroxyurs-12-en-28-oic-acid 28-β-d-glucopyranosyl ester, and pomolic acid were 6.50, 5.75, and 2.63 ng/mL, respectively. The extraction recoveries of analytes in rat plasma ranged from 83 to 94%. The three components could be rapidly absorbed into the blood (Tmax, 1.4–1.6 h) both in the single-administration group or S. officinalis extract group, but the first peak of PA occurred at 0.5 h and the second peak at 4–5 h in the S. officinalis extract. Three compounds were eliminated relatively slowly (t1/2, 7.3–11 h). The research was to establish a rapid, sensible, and sensitive UHPLC–MS/MS method using the multi-ion mode for multi-channel simultaneous mensuration pharmacokinetics parameters of three compounds in rats after oral administration of S. officinalis extract. This study found, for the first time, differences in the pharmacokinetic parameters of the three compounds in the monomer compounds and S. officinalis extract administration, which preliminarily revealed the transformation and metabolism of the three compounds in vivo.

The reduction of carbon emissions in the power industry will play a vital role in global decarbonization. The power industry has three main strategies to achieve this reduction in emissions: to implement lean marketing strategies that effectively target users of power and encourage them to adopt decarbonizing technologies and services; to optimize the efficiency of these users of power; and to improve the efficiency of renewable energy sources. This paper establishes a comprehensive evaluation system of indexed data from power industry customers for the development of lean marketing strategies. This system evaluates indexes derived from customer data on renewable energy sources, carbon emissions, energy efficiency, and customer credit. It adopts the DEMATEL–CRITIC combination weight assignment and VIKOR method for system evaluation and conducts simulation experiments on customer data in a region of Northeastern China to give an example of how this method could be applied in practice to lean marketing. The results show that the evaluation system proposed in this paper can govern the lean marketing decision-making of power sales enterprises.

For long baseline in a network, the traditional combined ionosphere-free (IF) + wide-lane (WL) strategy is commonly used, but the residual tropospheric delays and larger noise hamper the basic ambiguity resolution (AR). With the completion of the BeiDou global navigation satellite system (BDS-3) and the quad-frequency signals provided by BDS-3 satellites, we can construct more combinations that are conducive to ambiguity resolution. Compared with ionosphere-free linear combinations, we estimated ionospheric delay using three independent WL observations, and formed an ionosphere-weighted model using uncombined code and phase observations, which proved to be quite effective. Based on the real quad-frequency BDS-3 observations of two CORS (Continuously Operating Reference Stations) and two user stations, we processed eight days of data to study the formal and empirical ambiguity success rates and user positioning errors. The rounding success rate of WL ambiguity was significantly improved with ionospheric correction. The success rate of the basic ambiguity increased from 94.4 and 96.1% to 98.0% using the quad-frequency ionosphere-weighted (QFIW) model compared with the double-frequency ionosphere-free (DFIF) model and the triple-frequency geometry-based (TFGB) model. Furthermore, the user E/N/U positioning accuracy improved by 20.6/31.5/13.1% and 6.3/22.9/5.8%, respectively.

Channel phase calibration is a crucial issue in high resolution and wide swath (HRWS) imagery with azimuth multi-channel synthetic aperture radar (SAR) systems. Precise phase calibration is definitely required in reconstructing the full Doppler spectrum for precise HRWS imagery without high-level ambiguities. In this paper, we propose a novel calibration for HRWS SAR imagery by optimizing the reconstructed unambiguous Doppler spectrum. The sharpness of the reconstructed Doppler spectrum is applied as the metric to measure the unambiguity quality, which is maximized to retrieve the element phase error caused by channel imbalance. Real data experiments demonstrate the performance of the proposed calibration for ambiguity suppression in HRWS SAR imagery.

Deep-learning-based radar echo extrapolation methods have achieved remarkable progress in the precipitation nowcasting field. However, they suffer from a common notorious problem—they tend to produce blurry predictions. Although some efforts have been made in recent years, the blurring problem is still under-addressed. In this work, we propose three effective strategies to assist deep-learning-based radar echo extrapolation methods to achieve more realistic and detailed prediction. Specifically, we propose a spatial generative adversarial network (GAN) and a spectrum GAN to improve image fidelity. The spatial and spectrum GANs aim at penalizing the distribution discrepancy between generated and real images from the spatial domain and spectral domain, respectively. In addition, a masked style loss is devised to further enhance the details by transferring the detailed texture of ground truth radar sequences to extrapolated ones. We apply a foreground mask to prevent the background noise from transferring to the outputs. Moreover, we also design a new metric termed the power spectral density score (PSDS) to quantify the perceptual quality from a frequency perspective. The PSDS metric can be applied as a complement to other visual evaluation metrics (e.g., LPIPS) to achieve a comprehensive measurement of image sharpness. We test our approaches with both ConvLSTM baseline and U-Net baseline, and comprehensive ablation experiments on the SEVIR dataset show that the proposed approaches are able to produce much more realistic radar images than baselines. Most notably, our methods can be readily applied to any deep-learning-based spatiotemporal forecasting models to acquire more detailed results.

Knowing the droplet-deformation conditions, the droplet-breakup conditions, and the drag force in the interaction between two droplets with a high Reynolds number is of importance for tracking droplet movement in the annular flow field of a gas well. The interactions between two droplets with a high Reynolds number in a tandem arrangement fixed in flowing gas was investigated. The volume of fluid (VOF) method was used to model the droplets’ surface structure. Two different body forces were exerted on both droplets to hold them suspended at a fixed location, which eliminated the effect of droplet acceleration or deceleration on the drag and decreased the amount of computation required. The exerted body forces were calculated using the Newton iteration procedure. The interactions between the two droplets were analyzed by comparison with the simulation results of a single isolated droplet. The effect of the separation distance on the drag force was investigated by changing the separation spacing. The simulation results showed that for droplets with a small separating space between them, the dynamics of the downstream droplet were influenced significantly by the upstream droplet. The drag coefficient of the downstream droplet decreased considerably to a small, even negative, value, especially for droplets with higher Weber numbers and smaller initial separating spaces between them, while the drag force of the upstream droplet was influenced only slightly. In addition, a formula for predicting the final drag coefficient of the downstream droplet was devised.

Thin-layer chromatography (TLC) bioautography is an evolving technology that integrates the separation and analysis technology of TLC with biological activity detection technology, which has shown a steep rise in popularity over the past few decades. It connects TLC with convenient, economic and intuitive features and bioautography with high levels of sensitivity and specificity. In this study, we discuss the research progress of TLC bioautography and then establish a definite timeline to introduce it. This review summarizes known TLC bioautography types and practical applications for determining antibacterial, antifungal, antitumor and antioxidant compounds and for inhibiting glucosidase, pancreatic lipase, tyrosinase and cholinesterase activity constitutes. Nowadays, especially during the COVID-19 pandemic, it is important to identify original, natural products with anti-COVID potential compounds from Chinese traditional medicine and natural medicinal plants. We also give an account of detection techniques, including in situ and ex situ techniques; even in situ ion sources represent a major reform. Considering the current technical innovations, we propose that the technology will make more progress in TLC plates with higher separation and detection technology with a more portable and extensive scope of application. We believe this technology will be diffusely applied in medicine, biology, agriculture, animal husbandry, garden forestry, environmental management and other fields in the future.

Magnaporthe oryzae (M. oryzae) is a typical cause of rice blast in agricultural production. Isobavachalcone (IBC), an active ingredient of Psoralea corylifolia L. extract, is an effective fungicide against rice blast. To determine the mechanism of IBC against M. oryzae, the effect of IBC on the metabolic pathway of M. oryzae was explored by transcriptome profiling. In M. oryzae, the expression of pyruvate dehydrogenase E1 (PDHE1), part of the tricarboxylic acid (TCA cycle), was significantly decreased in response to treatment with IBC, which was verified by qPCR and testing of enzyme activity. To further elucidate the interactions between IBC and PDHE1, the 3D structure model of the PDHE1 from M. oryzae was established based on homology modeling. The model was utilized to analyze the molecular interactions through molecular docking and molecular dynamics simulation, revealing that IBC has π-π stacking interactions with residue TYR139 and undergoes hydrogen bonding with residue ASP217 of PDHE1. Additionally, the nonpolar residues PHE111, MET174, ILE 187, VAL188, and MET250 form strong hydrophobic interactions with IBC. The above results reveal that PDHE1 is a potential target for antifungal agents, which will be of great significance for guiding the design of new fungicides. This research clarified the mechanism of IBC against M. oryzae at the molecular level, which will underpin further studies of the inhibitory mechanism of flavonoids and the discovery of new targets. It also provides theoretical guidance for the field application of IBC.

A silicon photonic polarization multiplexing (PM) sensor featuring both a large range and a high resolution is proposed and experimentally demonstrated. The sensor includes a Fabry–Pérot (FP) resonator and a microring resonator (MRR) functioning as the sensing parts. With PM technology, the FP resonator only works on the transverse-electric mode while the MRR only on the transverse-magnetic mode. Thus, the proposed sensor can simultaneously achieve a large range with a short FP resonator and a high resolution with a high-Q MRR. Measured results show a range of 113 °C and a resolution of 0.06 °C for temperature sensing, and a range of 0.58 RIU (refractive index unit) with the resolution of 0.002 RIU for analyte refractive index sensing.

Mo-modified ZSM-5 catalysts were prepared and used to produce aromatic hydrocarbons during catalytic fast pyrolysis (CFP) of biomass. The composition and distribution of aromatics were investigated on pyrolysis–gas chromatography/mass spectrometry (Py-GC/MS). The reaction factors, such as the Mo content, the reaction temperature and the catalyst/biomass mass ratio, were also optimized. It was found that the 10Mo/ZSM-5 catalyst displayed the best activity in improving the production of monocyclic aromatic hydrocarbons (MAHs) and decreasing the yield of polycyclic aromatic hydrocarbons (PAHs) at 600 °C and with a catalyst/biomass ratio of 10. Furthermore, according to catalyst characterization and the experiment results, the aromatics formation mechanism over Mo/ZSM-5 catalysts was also summarized and proposed.

An improved approach to derive pseudo water vapor mass mixing ratio and in- cloud potential temperature was developed in this paper to better initialize numerical weather prediction (NWP) and build convective-scale predictions of severe weather events. The process included several steps. The first was to identify areas of deep moist convection, utilizing Vertically Integrated Liquid water (VIL) derived from a mosaicked 3D radar reflectivity field. Then, pseudo- water vapor and pseudo- in- cloud potential temperature observations were derived based on the VIL. For potential temperature, the latent heat initialization for stratiform cloud and moist adiabatic initialization for deep moist convection were used based on a cloud analysis method. The third step was to assimilate the derived pseudo- water vapor and potential temperature observations, together with radar radial velocity and reflectivity into a convective-scale NWP model during data assimilation cycles spanning several hours. Finally, 3-h forecasts were launched each hour during the data assimilation period. The effects of radar data and pseudo- observation assimilation on the prediction of rainfall associated with convective systems surrounding the Meiyu front in 2018 were explored using two real cases. Two sets of experiments, each including several experiments in each real case, were designed to compare the effects of assimilation radar and pseudo- observations on the ensuing forecasts. Relative to the control experiment without data assimilation and radar experiment, the analyses and forecasts of convections were found to be improved for the two Meiyu front cases after pseudo- water vapor and potential temperature information was assimilated.

A novel method for determining the electro-optic (EO) coefficient γ 22 of lithium niobate and its dispersion using photoelastic modulation is presented. A spectroscopic polarimetry was constructed with the photoelastic modulator (PEM), and a monochromator was selected to automatically scan the wavelength of a light source. Phase retardation induced by an EO sample was loaded into the modulation signals to demodulate the EO coefficients. The PEM and data processing were controlled in the same field programmable gate array (FPGA), and the DC and harmonic terms were extracted simultaneously by employing digital phase-locked technology. An experimental system was built to analyze the principle of this scheme in detail. After the modulation phase retardation amplitude of the PEM was precisely calibrated, the EO coefficient γ 22 of a Y-cut lithium niobate crystal plate was measured in the spectral range from 0.42 to 0.8 µm. The experimental results demonstrated that the measurement sensitivity of the system was 1.1 × 10 − 14 m / V for a sampling time of 198.9 ms. Plotting the measured results against the light wavelength, the dispersion of the EO coefficients was obtained similar to the Cauchy dispersion formula γ 22 = 5.31 × 10 − 12 + 4.071 × 10 − 13 λ 2 + 7.184 × 10 − 14 λ 4 in the visible light range. This method is suitable for studying dispersion of the EO coefficients of crystals as well as of thin films and two-dimensional materials.

In this study, the constituents of a Corydalis bungeana Turcz extract were qualitatively analyzed using gradient elution with a mobile phase of 0.2% acetic acid and acetonitrile. We obtained comprehensive insight into the constituents of C. bungeana Turcz extracts through the quantitative analysis of 14 compounds by comparison with authentic reference standards, and tentatively identified an additional 44 compounds through electrospray ionization mass spectrometry (ESI−MS) and tandem MS detection. The separation was successfully achieved using an Agilent SB-C18 column (1.8 µm, 150 × 2.1 mm; Agilent, Santa, CA, USA). A tandem quadrupole spectrometer was operated in either full-scan mode or multiple reaction monitoring (MRM) for the qualitative and quantitative analyses of the constituents, respectively. Validation data (inter-day and intra-day combined) for accuracy and precision ranged from −4.80% to 4.73%, and 0.30% to 4.97%, respectively. An ultrahigh performance liquid chromatographic−ESI−tandem MS (UHPLC−ESI−MS/MS) method for qualitative of C. bungeana Turcz (C. bungeana) extract and the quantification of 14 alkaloids, namely, A−N, was developed and validated. Quantitative analysis involved gradient elution with a mobile phase of 0.1% acetic acid and methanol for 45 min. The separation was successfully achieved using a Waters SB-C18 column (1.8 µm, 100 mm × 2.1 mm, Waters, Milford, Massachusetts, USA). The repeatability and stability of the method also met USFDA criteria with CV values lower than 5%. The limit of detection of the 14 alkaloids ranged from 9.74 to 13.00 ng/mL, whereas the linearities of the standard curves were between 0.9991 and 0.9995. In total, 15 commercial samples from 11 different sources were analyzed.

Harmful algal blooms (HABs), eutrophication, and internal pollutant sources from sediment, represent serious problems for public health, water quality, and ecological restoration worldwide. Previous studies have indicated that Modified Local Soil (MLS) technology is an efficient and cost-effective method to flocculate the HABs from water and settle them onto sediment. Additionally, MLS capping treatment can reduce the resuspension of algae flocs from the sediment, and convert the algal cells, along with any excessive nutrients in-situ into fertilisers for the restoration of submerged macrophytes in shallow water systems. Furthermore, the capping treatment using oxygen nanobubble-MLS materials can also mitigate sediment anoxia, causing a reduction in the release of internal pollutants, such as nutrients and greenhouse gases. This paper reviews and quantifies the main features of MLS by investigating the effect of MLS treatment in five pilot-scale whole-pond field experiments carried out in Lake Tai, South China, and in Cetian Reservoir in Datong city, North China. Data obtained from field monitoring showed that the algae-dominated waters transform into a macrophyte-dominated state within four months of MLS treatment in shallow water systems. The sediment-water nutrient fluxes were substantially reduced, whilst water quality (TN, TP, and transparency) and biodiversity were significantly improved in the treatment ponds, compared to the control ponds within a duration ranging from one day to three years. The sediment anoxia remediation effect by oxygen nanobubble-MLS treatment may further contribute to deep water hypoxia remediation and eutrophication control. Combined with the integrated management of external loads control, MLS technology can provide an environmentally friendly geo-engineering method to accelerate ecological restoration and control eutrophication.

Wavelength selection is an important preprocessing issue in near-infrared (NIR) spectroscopy analysis and modeling. Swarm optimization algorithms (such as genetic algorithm, bat algorithm, etc.) have been successfully applied to select the most effective wavelengths in previous studies. However, these algorithms suffer from the problem of unrobustness, which means that the selected wavelengths of each optimization are different. To solve this problem, this paper proposes a novel wavelength selection method based on the binary dragonfly algorithm (BDA), which includes three typical frameworks: single-BDA, multi-BDA, ensemble learning-based BDA settings. The experimental results for the public gasoline NIR spectroscopy dataset showed that: (1) By using the multi-BDA and ensemble learning-based BDA methods, the stability of wavelength selection can improve; (2) With respect to the generalized performance of the quantitative analysis model, the model established with the wavelengths selected by using the multi-BDA and the ensemble learning-based BDA methods outperformed the single-BDA method. The results also indicated that the proposed method is not limited to the dragonfly algorithm but can also be combined with other swarm optimization algorithms. In addition, the ensemble learning idea can be applied to other feature selection areas to obtain more robust results.

Four new glycosides, namely 3β-norpinan-2-one 3-O-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside (1), (6Z)-3-hydroxymethyl-7-methylocta-1,6-dien-3-ol 8-O-β-d-glucopyranoside (2), (6E)-3-hydroxymethyl-7-methylocta-1,6-dien-3-ol 8-O-β-d-gluco-pyranoside (3), and 7-[(β-d-apiofuranosyl-(1→6)-β-d-glucopyranosyl)oxymethy]-8,8-dimethyl-4,8-dihydrobenzo[1,4]thiazine-3,5-dione (4), were isolated from the fruits of Xanthium sibiricum Patr together with three known compounds, xanthiside (5), adenosine (6), and 2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-propan-1-one (7). The structures of the new compounds were determined on the basis of detailed spectroscopic analyses.

Three new germacrane-type sesquiterpenoids, heishuixiecaoline A–C (compounds 1–3), were isolated along with ten known compounds 4–13 from fraction of Valeriana amurensis roots and rhizomes effective against Alzheimer’s disease (AD). The structures of 1–3 were elucidated on the basis of their spectroscopic data. We also investigated the protective effect of compounds 1–13 on the neurotoxicity of PC12 cells induced by amyloid-beta (Aβ25–25), respectively. As a result, germacrane-type sesquiterpenoids 1–4 and lignans 5–7 were seen to afford protection against Aβ-induced toxicity in PC 12 cells. This study will contribute to revealing the chemical basis for the therapeutic effect of V. amurensis against AD.

Three new cycloartenol triterpene saponins, named shengmaxinsides A-C, have been isolated from the ethyl acetate soluble fraction of an ethanol extract of Cimicifuga simplex Wormsk roots. Their structures were established by chemical tests and detailed spectroscopic analysis as 25-O-acetyl-7,8-didehydrocimigenol-3-O-β-D-galactopyranoside (1), 7,8-didehydrocimigenol-3-O-β-D-galactopyranoside (2) and 7,8-didehydro-24S-O-acetylhydroshengmanol-3-O-β-D-galactopyranoside (3), respectively.

A rapid, simple and sensitive ultra-performance liquid chromatography-electrospray-ionization-tandem mass spectrometry (UPLC-ESI-MS/MS) method was developed and validated for the simultaneous determination of aesculin, aesculetin, fraxetin, fraxin and polydatin in beagle dog plasma for the first time. Plasma samples were pretreated by protein precipitation with methanol. Chromatographic separation was performed on an Acquity UPLC HSS T3 C18 column (2.1 mm × 100 mm, 1.8 μm) with gradient elution at a flow rate of 0.4 mL/min, using a mobile phase consisting of 0.1% formic acid (A) and acetonitrile (B). The analytes and IS were detected by multiple reaction monitoring (MRM) via negative ion mode with ion transitions of m/z 339.1–m/z 176.8 for aesculin, m/z 176.8–m/z 88.9 for aesculetin, m/z 206.8–m/z 192.1 for fraxetin, m/z 369.1–m/z 206.9 for fraxin, m/z 389.1–m/z 227.0 for polydatin and m/z 415.2–m/z 295.1 for puerarin. This method was validated according to the FDA guidelines and the results met the requirements of analysis. The calibration curves of analytes were linear with correlation coefficients more than 0.9980. The intra- and inter-day precisions were less than 15% and the accuracy was within ±15%. The maximum plasma concentration (Cmax) of aesculin, aesculetin, fraxetin, fraxin and polydatin was 46.75 ± 7.46, 209.9 ± 57.65, 369.7 ± 48.87, 67.04 ± 12.09 and 47.14 ± 12.04 ng/mL, respectively. The time to reach the maximum plasma concentration (Tmax) was 1.32 ± 0.38 h for aesculin, 1.03 ± 0.27 h for aesculetin, 0.94 ± 0.23 h for fraxetin, 0.83 ± 0.18 h for fraxin and 1.15 ± 0.15 h for polydatin. The results indicated that the absorption of aesculin might be slow in beagle dog plasma. This method was successfully applied for pharmacokinetics in beagle dog plasma after oral administration of the extracts of Ledum palustre L. at a dosage of 0.27 g/kg.

An correction is presented to correct Figure 5a in [Sensors, 2017, 17, 555].

A rapid and sensitive Ultra high-performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) method was developed for the simultaneous determination of fourteen alkaloids in beagle dog plasma after a single oral dose of the Corydalis bungeana Turcz (C. bungeana) extract selected bifendate as the internal standard (IS). The plasma samples were preprocessed by liquid-liquid extraction (LLE) with aether before separation on an Agilent SB-C18 column (1.8 µm, 150 × 2.1 mm) using a gradient elution program. The mobile phase consists of 0.2% acetic acid and acetonitrile at the flow rate of 0.3 mL/min. In the positive ion mode, the analytes were detected by multiple reaction monitoring (MRM). The results indicated that calibration curves for fourteen analytes have good linearity (R2 = 0.9904). The lower limits of quantification (LLOQ) of fourteen alkaloids and IS were all over 4.87 ng/mL and the matrix effects ranged from 94.08% to 102.76%. The mean extraction recoveries of Quality control samples at low (LQC), medium (MQC) and high (HQC) and IS were all more than 78.03%. The intra- and inter-day precision (R.S.D.%) also met the criterion, at the same time the deviation of assay accuracies (R.E) ranged from −13.70% to 14.40%. The Tmax values of fourteen alkaloids were no more than 1 h. The range of Cmax was from 74.16 ± 8.71 to 2256 ± 255.9 ng/mL. The assay was validated in the light of the regulatory bioanalytical guidelines and proved acceptable, which was successfully applied to a pharmacokinetic study of these compounds in beagle dogs after oral administration of Corydalis bungeana Turcz extract.

This study has developed a sensitive and simple ultra-high performance liquid chromatography-electrospray ionization-tandem mass spectrometry method for the simultaneous determination of corydaline, dehydrocorydaline, tetrahydropalmatine, protopine, palmatine, tetrahydroberberine, columbamine, berberine, coptisine and berberrubine in beagle dog plasma after the oral administration of the Corydalis yanhusuo W.T. Wang and Yuanhuzhitong tablets. Chromatographic separation was achieved on an Agilent Eclipse Plus C18 RRHD column (1.8 µm, 50 × 2.1 mm) using a gradient elution program with a mobile phase consisting of acetonitrile and water containing 0.1% formic acid at a flow rate of 0.3 mL/min. A tandem mass spectrometric detection was conducted by multiple reaction monitoring (MRM) mode via an electrospray ionization source in the positive mode. The calibration curves of all analytes showed good linear (r2 > 0.9800). The intra-day and inter-day precisions were less than 15% and the accuracies were within ±15%. The extraction recoveries conformed to the acceptable range. And there was no interference of endogenous substances in the sensitive assay method. All analytes were proven to be stable during sample storage and analysis procedures. The pharmacokinetic study indicated that the Yuanhuzhitong tablets could get a better absorption than Corydalis yanhusuo W.T. Wang.

Genistin, an isoflavone belonging to the phytoestrogen family, has been reported to possess various therapeutic effects. In the present study, the genistin metabolites in rats were investigated by UHPLC-LTQ-Orbitrap mass spectrometer in both positive and negative ion modes. Firstly, the data sets were obtained based on data-dependent acquisition method and then 10 metabolite templates were established based on the previous reports. Then diagnostic product ions (DPIs) and neutral loss fragments (NLFs) were proposed to efficiently screen and ascertain the major-to-trace genistin metabolites. Meanwhile, the calculated Clog P values were used to identify the positional isomers with different retention times. Consequently, a total of 64 metabolites, including prototype drug, were positively or putatively characterized. Among them, 40 metabolites were found according to the templates of genistin and genistein, which was the same as the previous research method. After using other metabolite templates, 24 metabolites were added. The results demonstrated that genistin mainly underwent methylation, hydrogenation, hydroxylation, glucosylation, glucuronidation, sulfonation, acetylation, ring-cleavage and their composite reactions in vivo biotransformation. In conclusion, the research not only revealed the genistein metabolites and metabolic pathways in vivo comprehensively, but also proposed a method based on multiple metabolite templates to screen and identify metabolites of other natural compounds.

A simple and high sensitive ultra-high performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method was developed and validated for the simultaneous determination of peimine and peiminine in beagle dog plasma after the oral administration of Fritillariae ussuriensis Maxim and Fritillariae thunbergii Miq powder. Chromatographic separation was achieved on an ACQUIT UPLC® BEH C18 column (1.7 μm, 2.1 × 100 mm) in a gradient elution way with a mobile phase consisting of acetonitrile and water containing 0.1% formic acid at a flow rate of 0.4 mL/min. The plasma samples were prepared by a liquid–liquid extraction (LLE) method with ethyl acetate. The analytes were detected with a triple quadrupole tandem mass spectrometry (MS) in multiple reaction monitoring (MRM) mode and a positive ion electrospray ionization (ESI) of the transitions at m/z 432.4→414.4 for peimine and m/z 430.3→412.3 for peiminine. The method was linear for two analytes over the investigated range with all determined correlation coefficients exceeding 0.9900. The lower limit of quantification (LLOQ) was 0.988 ng/mL for peimine and 0.980 ng/mL for peiminine. The mean extraction recoveries of peimine and peiminine at three quality control samples (QC) levels were ranged from 82.56 to 88.71%, and matrix effects ranged from 92.06 to 101.2%. The intra-day and inter-day precision and accuracy were within the acceptable limits at LLOQ and QC levels. The method was effectively and successfully applied to the pharmacokinetics of peimine and peiminine after oral administration of powder to beagle dogs. The obtained results may be help to guide the clinical application of Fritillaria ussuriensis Maxim and Fritillaria thunbergii Miq.

Daidzein, the main bioactive soy isoflavone in Nature, has been found to possess many biological functions. It has been investigated in particular as a phytoestrogen owing to the similarity of its structure with that of the human hormone estrogen. Due to the lack of comprehensive studies on daidzein metabolism, further research is still required to clarify its in vivo metabolic fate and intermediate processes. In this study, an efficient strategy was established using UHPLC-LTQ-Orbitrap mass spectrometry to profile the metabolism of daidzein in rats. Meanwhile, multiple data-mining methods including high-resolution extracted ion chromatogram (HREIC), multiple mass defect filtering (MMDF), neutral loss fragment (NLF), and diagnostic product ion (DPI) were utilized to investigate daidzein metabolites from the HR-ESI-MS1 to ESI-MSn stage in both positive and negative ion modes. Consequently, 59 metabolites, including prototype compounds, were positively or tentatively elucidated based on reference standards, accurate mass measurements, mass fragmentation behaviors, chromatographic retention times, and corresponding calculated ClogP values. As a result, dehydration, hydrogenation, methylation, dimethylation, glucuronidation, glucosylation, sulfonation, ring-cleavage, and their composite reactions were ascertained to interpret its in vivo biotransformation. Overall, our results not only revealed the potential pharmacodynamics forms of daidzein, but also aid in establishing a practical strategy for rapid screening and identifying metabolites of natural compounds.