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In this study, charge-transfer-type compounds comprising synthesized naphthalenediimide derivative (H4NDISA) or its Pb-based coordination polymer (Pb-NDISA) and suitable primary or secondary amine organic molecules were prepared by the solvent-free mechanical grinding method. The coloration phenomenon arising from charge transfer during grinding serves as a discriminative tool for distinguishing various organic guest molecules. The porous structure of Pb-NDISAcrystals facilitates the infiltration of guest molecules and contributes to the preservation of the intermolecular charge transfer state. Moreover, the intermolecular charge transfer induced by grinding exhibits remarkable stability in an ambient atmosphere, underscoring the pivotal role of well-ordered molecules in the mechanical grinding procedure. This mechanochromic phenomenon holds promise for the detection and sensing of organic molecules, while the exceptional charge-transfer absorption characteristics offer the potential for efficient near-infrared photothermal conversion.

Recent studies on tropical cyclone (TC) intensity change indicate that the development of a vertically aligned TC circulation is a key feature of its rapid intensification (RI), however, understanding how vortex alignment occurs remains a challenging topic in TC intensity change research. Based on the simulation outputs of North Atlantic Hurricane Wilma (2005) and western North Pacific Typhoon Rammasun (2014), vortex track oscillations at different vertical levels and their associated role in vortex alignment are examined to improve our understanding of the vortex alignment during RI of TCs with initial hurricane intensity. It is found that vortex tracks at different vertical levels oscillate consistently in speed and direction during the RI of the two simulated TCs. While the consistent track oscillation reduces the oscillation tilt during RI, the reduction of vortex tilt results mainly from the mean track before RI. It is also found that the vortex tilt is primarily due to the mean vortex track before and after RI. The track oscillations are closely associated with wavenumber-1 vortex Rossby waves that are dominant wavenumber-1 circulations in the TC inner-core region. This study suggests that the dynamics of the wavenumber-1 vortex Rossby waves play an important role in the regulation of the physical processes associated with the track oscillation and vertical alignment of TCs.

The impact of insecure attachment on hoarding behavior (HB) has been supported by empirical evidence. However, scant literature has focused on how anthropomorphism (attributing human‐like traits, characteristics, or emotions to nonhuman objects) and hoarding beliefs (motivations for ownership) affect the relationship between insecure attachment and HB, especially among Chinese adolescents. Using a cross‐sectional study, we reserved 903 participants (561 males, 342 females, M= 20.20, SD= 1.85, age range = 18–24 years) to complete self‐report questionnaires about close relationships, anthropomorphism, saving beliefs, and saving inventory to investigate the mediating role of anthropomorphism and the moderating role of hoarding beliefs in the relationship between insecure attachment and HB. Attachment anxiety and avoidance had a positive relationship with HB, and anthropomorphism is a mediating factor in the association between attachment anxiety and HB. In addition, hoarding beliefs moderated the relationship between attachment anxiety and HB. This study further elaborated on the relationships between insecure attachment, anthropomorphism, hoarding beliefs, and HB, which might shed some light on adolescent clinical interventions.

AbstractIn this research, genotyping data of 43 InDel loci in 311 Han individuals in Ankang City, Shaanxi Province, China were detected using a self-developed five-dye multiplex amplification panel. The allelic frequencies and forensic parameters of all InDel loci were calculated. The combined power of discrimination and probability of exclusion values were 0.999 999 999 999 999 998 827 39 and 0.999 887 424, respectively, which demonstrated that this 43-InDel panel was powerful for individual identifications in Ankang Han population. Moreover, genetic distances, pairwise FSTvalues, principal component analyses, phylogenetic trees and STRUCTURE analyses were performed to investigate the genetic affinities between Ankang Han and reference groups. Population genetic investigations indicated that Ankang Han population had a close genetic relationship with Southern Han population compared with other reference groups.

The maleimide scaffold is widely used for the preparation of fluorogenic probes owing to its good fluorescence quenching ability. Here, we demonstrate that it can be also employed to prepare fluorogenic mechanophores. A dithiomaleimide-based mechanophore with two dansyl fluorophores attached to the maleimide core viathe thioether bond is synthesized and incorporated into polymer chains. Upon mechanochemical activation, the relatively weak C–S is cleaved hypothetically due to its low bond dissociation energy, resulting in the removal of the maleimide conjugation and turning on of the dansyl fluorophore with >5-fold increase in the fluorescence emission peak intensity at 510 nm. In addition, an excess of a thiol can also lead to the cleavage of the dansyl fluorophore from the maleimide viathiol-exchange reactions. This mechanophore with dual responsiveness may have potential applications in stress sensing as well as thiol sensing. Moreover, the design concept of the mechanophore may allow access to many other fluorogenic mechanophores, since a number of fluorophores covering a wide range of emission wavelengths have been reported to be quenched by maleimides.

Objective: The study aims to investigate the pharmacokinetic profile of Praeruptorin A and khellactone and in vitro hydrolysis of praeruptorin A to khellactone in different biological samples. Methods: A LC-MS/MS method was established. Analytes and internal standard (IS) were isolated using the protein precipitation method and then separated on a Thermo BDS Hypersil C18 (2.1 mm×50 mm, 2.4μm) column using a mobile phase consisting of 0.05% formic acid solution and acetonitrile. Samples were analyzed in positive electrospray-ionization (ESI) mode using multiple reaction monitoring (MRM). Results: The calibration plots gave desirable linearity (r2>0.99) in the concentration range from 0.99-990.0 and 2.0-2000.0 ng/mL for Praeruptorin A and khellactone, respectively. In addition, the LOQs of these analytes were sufficient for vivo pharmacokinetic study and vitro hydrolysis study of Praeruptorin A. The intra-batch and inter-batch precision were all within 14.05%, and the accuracy was between 89.39% and 109.50%. The extraction efficiency of PA and khellactone ranged from 76.35

The study aims to analyze the pregnancy outcomes of multiple gestations with preterm premature rupture of membranes (PPROM) that occurred within 24 h after fetal reduction with potassium chloride (KCL).

Histopathology and serum biochemical indicators (urea nitrogen and creatinine) were investigated to evaluate the kidney injury caused by the combination use of isoniazid (100 mg/(kg·d, ig)) and rifampicin (100 mg/(kg·d, ig) which were used as antitubercular drugs. The endogenous metabolites extracted from kidney tissue were evaluated based on gas chromatography-mass spectrometry coupled with partial least squares-discriminant analysis and other multidimensional, as well as unidimensional statistical methods. Glutathione, which was reported to protect tissue from damage caused by antitubercular drugs, was used to treat rats (250 mg/(kg·d, iv)) with kidney damage. Biochemical indicators showed that creatinine and urea nitrogen increased (p< 0.05) greatly after being intragastrically administrated with isoniazid and rifampicin. In kidney, 31 endogenous metabolites were identified as potential biomarkers, including tyrosine, proline, uridine and palmitoleic acid, etc. All these results suggested that the combination use of isoniazid and rifampicin caused serious damage to kidney and disturbed the fatty acid metabolism, arginine and proline metabolism. In addition, glutathione reduced the level of serum urea nitrogen (p< 0.05) obviously and alleviated proliferation of glomerular mesangium. These results indicated that glutathione had good therapeutic effects on kidney injury caused by antitubercular drugs and significantly regulated the abundance of palmitoleic acid, 4-hydrobutyric acid, citrulline, gluconolactone, guanidinoacetic acid and piperidine acid in kidney.

Immunotherapy has exhibited promising but controversial results in gastric cancer; determining criteria for choosing the appropriate target population is still problematic. Epstein-Barr virus (EBV)-associated gastric carcinoma (EBVaGC) exhibits distinctive genomic aberrations and clinicopathologic features, the positive status of EBV is a potential biomarker. We prospectively recruited 9 patients who were diagnosed with stage-IV EBVaGC, and all of the patients were treated by immune-checkpoint inhibitors. The median age of the patients was 62 years old. The clinicopathologic characteristics demonstrated a male predominance and poor differentiation status of EBVaGC. Lymph nodes were demonstrated to represent the most common metastatic site. Immunochemistry and polymerase chain reaction analysis revealed that all of the patients were proficient mismatch repair, and microsatellite instability-stable and programmed cell death-ligand 1 were detected in 7 patients. Three patients with positive programmed cell death-ligand 1 showed partial response, 5 patients showed stable disease, 1 patient without measurable lesion showed decreasing ascites and tumor marker level after immunotherapy. The longest duration of response was 18 months by the time of the last follow-up. EBVaGC exhibits distinctive clinicopathologic characteristics, and EBV-positive status may be a potential biomarker for gastric cancer immunotherapy.

Predicting the biogeographical ancestries of populations and unknown individuals based on ancestry-informative markers (AIMs) has been widely applied in providing DNA clues to criminal investigations, correcting the factor of population stratification in genome-wide association studies (GWAS), and working as the basis of predicting the externally visible characteristics (EVCs) of individuals. The present study chose Chinese Xinjiang Kazak (XJK) group as research object using a 165 AIM-SNPs panel via next generation sequencing (NGS) technology to reveal its ancestral information and genetic background by referencing the populations’ data from 1000 Genomes Phase 3. After the Bonferroni correction, there were no significant deviations at the 165 AIM-SNP loci except two loci with homozygote in the studied XJK group. Ancestry information inference and populations genetic analyses were conducted basing on multiplex statistical methods such as forensic statistical parameter analyses, estimation of the success ratios with cross-validation, population tree, principal component analysis (PCA), and genetic structure analysis. The present results revealed that XJK group had the admixed ancestral components of East Asian and European populations with the ratio of about 62:37.

Materials scientists usually collect experimental data to summarize experiences and predict improved materials. However, a crucial issue is how to proficiently utilize unstructured data to update existing structured data, particularly in applied disciplines. This study introduces a new natural language processing (NLP) task called structured information inference (SII) to address this problem. We propose an end-to-end approach to summarize and organize the multi-layered device-level information from the literature into structured data. After comparing different methods, we fine-tuned LLaMA with an F1 score of 87.14% to update an existing perovskite solar cell dataset with articles published since its release, allowing its direct use in subsequent data analysis. Using structured information, we developed regression tasks to predict the electrical performance of solar cells. Our results demonstrate comparable performance to traditional machine-learning methods without feature selection and highlight the potential of large language models for scientific knowledge acquisition and material development.

The aroma features of bayberry juice were characterized in this study, which included two varieties of juice from four different areas and 28 orchards. The aroma compounds were analyzed by stir bar sorptive extraction coupled to gas chromatography–mass spectrometry (SBSE/GC–MS). In addition, four olfactory sensory attributes including sweet, acidic, fruit and flower aroma of bayberry juice were evaluated by a trained sensory panel (n = 8) using a quantitative descriptive test. The aroma compounds of great importance to the aroma characteristics were identified by correlation analysis between the odor-active compounds and the sensory attributes. The bayberry juice samples had relatively higher sensory score in fruit (5.02–5.61) and flower (4.73–5.46) aromas than sweet and acidic aromas. Seventy-three volatile components were detected in the four groups of bayberry juice, including 32 esters, 6 aldehydes, 3 ketones, 18 alcohols, 6 acids, 6 alkenes, and 2 phenols compounds. Based on the odor activity values (OAVs), 34 aroma compounds were identified as odor-active compounds. Hexyl alcohol, ethyl hexanoate, ethyl acetate, ethyl caprate, linalool, nonyl aldehyde and isoamyl acetate were identified as the key aroma compounds in the bayberry juice.

To compare the different pregnancy outcomes of women with a reduced dichorionic triamniotic (DCTA) triplet managed with radiofrequency ablation (RFA) or potassium chloride (KCL).

Ginsenoside Rg3 (Rg3), a major active ingredient enriched in red ginseng, possesses well-confirmed immunoregulatory effects. Immune disturbance is a common trigger and aggravating factor of depression. The aim of this study was to explore the effects of Rg3 on lipopolysaccharide (LPS)-induced depression-like behavior in mice and the involvement of immune regulation. Pretreatment with Rg3 (i.g., 20 and 40 mg/kg) effectively ameliorated LPS (i.p., 0.83 mg/kg) induced body weight loss, anorexia, and immobility time in both the tail suspension test and the forced swimming test. Rg3 attenuated the disturbed turnover of tryptophan and serotonin in the hippocampus, accompanied by decreased mRNA expression of pro-inflammatory cytokines and indoleamine-2,3-dioxygenase (IDO). These central benefits were partially linked to the regulation of microglia activation and nuclear factor kappa B (NF-κB) pathway. In addition, Rg3 significantly reduced LPS-induced elevation of interleukin-6 (IL-6) and tumor necrosis factor-α (TNF-α) in plasma, and restored the systemic balance of tryptophan-kynurenine metabolism. Taken together, our results demonstrated that Rg3 was effective in ameliorating depressive-like behavior induced by immune activation, adding new evidence to support its health benefits by immunoregulation.

Structure–activity relationship of mechanophores has always been a research focus in the field of polymer mechanochemistry. Here, we report our investigation of the effects of substitution and pulling geometry on the mechanochemical reactivity of anthracene–maleimide Diels–Alder (DA) adducts. The results of both ultrasonication experiments and constrained geometries simulate external force (CoGEF) calculations show that the adducts with the same pulling points at the 9-position of anthracene and the Natom of succinimide but different substituents (e.g., H, alkylthio, or dialkylamino) at the succinimide C2 position can be mechanochemically activated and undergo a retro-DA reaction under applied force with similar reactivity, implying that substitution in the succinimide C2 position has an insignificant effect on the mechanochemical reactivity. Remarkably, the adduct with one of the pulling points changed from the Natom to the C2 substituent of the succinimide becomes mechanochemically inert due to weak mechanochemical coupling associated with poor orientational alignment between the “scissile” bond and the pulling vector.

Large bone defects resulting from fractures and diseases have become a significant medical concern, usually impeding spontaneous healing through the body’s self-repair mechanism. Calcium phosphate (CaP) bioceramics are widely utilized for bone regeneration, owing to their exceptional biocompatibility and osteoconductivity. However, their bioactivities in repairing healing-impaired bone defects characterized by conditions such as ischemia and infection remain limited. Recently, an emerging bioceramics zinc–strontium phosphate (ZSP, Zn2Sr(PO4)2) has received increasing attention due to its remarkable antibacterial and angiogenic abilities, while its plausible biomedical utility on tissue regeneration is nonetheless few. In this study, gallic acid-grafted gelatin (GGA) with antioxidant properties was injected into hydrogels to scavenge reactive oxygen species and regulate bone microenvironment while simultaneously incorporating ZSP to form GGA-ZSP hydrogels. The GGA-ZSP hydrogel exhibits low swelling, and in vitrocell experiments have demonstrated its favorable biocompatibility, osteogenic induction potential, and ability to promote vascular regeneration. In an in vivobone defect model, the GGA-ZSP hydrogel significantly enhanced the bone regeneration rates. This study demonstrated that the GGA-ZSP hydrogel has pretty environmentally friendly therapeutic effects in osteogenic differentiation and massive bone defect repair.

Agricultural soil is related to food security and human health, antibiotics and heavy metals (HMs), as two typical pollutants, possess a high coexistence rate in the environmental medium, which is extremely prone to inducing antibiotic-HMs combined pollution. Recently, frequent human activities have led to more prominent antibiotics-HMs combined contamination in agricultural soils, especially the production and spread of antibiotic resistance genes (ARGs), heavy metal resistance genes (MRGs), antibiotic resistant bacteria (ARB), and antibiotics-HMs complexes (AMCs), which seriously threaten soil ecology and human health. This review describes the main sources (Intrinsic and manmade sources), composite mechanisms (co-selective resistance, oxidative stress, and Joint toxicity mechanism), environmental fate and the potential risks (soil ecological and human health risks) of antibiotics and HMs in agricultural soils. Finally, the current effective source blocking, transmission control, and attenuation strategies are classified for discussion, such as the application of additives and barrier materials, as well as plant and animal remediation and bioremediation, etc., pointing out that future research should focus on the whole chain process of “source-process-terminal”, intending to provide a theoretical basis and decision-making reference for future research.

The scientific literature contains valuable information that can be used for future applications, but manual analysis presents challenges due to its size and disciplinary boundaries. The prevailing solution involves natural language processing (NLP) techniques such as information retrieval. Nonetheless, existing automated systems primarily provide either statistically based shallow information or deep information without traceability, thereby falling short of delivering high-quality and reliable insights. To address this, we propose an innovative approach of leveraging sentiment information embedded within the literature to track the opinions toward materials. In this study, we integrated material knowledge into text representation and constructed opinion data sets to hierarchically train deep learning models, named as Scientific Sentiment Network (SSNet). SSNet can effectively extract knowledge from the energy material literature and accurately categorize expert opinions into challenges and opportunities (94% and 92% accuracy, respectively). By incorporating sentiment features determined by SSNet, we can predict the ranking of emerging thermoelectric materials with a 70% correlation to experimental outcomes. Furthermore, our model achieves a commendable 68% accuracy in predicting suitable nanomaterials for atomic layer deposition (ALD) over time. These promising results offer a practical framework to extract and synthesize knowledge from the scientific literature, thereby accelerating research in the field of nanomaterials.

To determine the safety and efficacy of radiofrequency ablation (RFA) for selective fetal reduction in complex monochorionic multiple pregnancies.

Research on novel bioactive lipids has garnered increasing interest. Although lipids can be identified by searching mass spectral libraries, the discovery of novel lipids remains challenging as the query spectra of such lipids are not included in libraries. In this study, we propose a strategy to discover novel carboxylic acid-containing acyl lipids by integrating molecular networking with an extended in silicospectral library. Derivatization was performed to improve the response of this method. The tandem mass spectrometry spectra enriched by derivatization facilitated the formation of molecular networking and 244 nodes were annotated. We constructed consensus spectra for these annotations based on molecular networking and developed an extended in silicospectral library based on these consensus spectra. The spectral library included 6879 in silicomolecules covering 12,179 spectra. Using this integration strategy, 653 acyl lipids were discovered. Among these, O-acyl lactic acids and N-lactoyl amino acid-conjugated lipids were annotated as novel acyl lipids. Compared with conventional methods, our proposed method allows for the discovery of novel acyl lipids, and extended in silicolibraries significantly increase the size of the spectral library.

An intracellular metabolomics method based on gas chromatography coupled with mass spectrometry (GC-MS) was established to explore the toxicity mechanism of aconitine and benzoylaconine. BeWo, a continuous cell lines originated from human placenta, was selected to establish in vitroplacenta model. The intracellular metabolites were extracted after exposed to 5 μg mL−1aconitine and benzoylaconine for 0, 6, 12, 24 and 36 h, respectively. The intracellular metabolic profiles were acquired by GC-MS. Orthogonal partial least squares discriminant analysis (OPLS-DA) score plot showed the time-dependent change of the metabolomic profiles between the control and intervention groups. After screening by variable influence on projection (VIP) value and one-way analysis of variance, and searching with NIST 2014 database, 11 metabolites were identified, including proline, glycine, threonine, glutamic acid, N-acetylglutamine, glutamine, lysine, histidine, succinic acid, glucose and galactose, which were mainly involved in the following pathways: (1) glutamine and glutamate metabolism; (2) glycine, serine and threonine metabolism; (3) alanine, aspartate and glutamate metabolism; (4) lysine degradation; (5) arginine and proline metabolism and (6) histidine metabolism. The results demonstrated that amino acid metabolism was the main metabolic pathway and responsible for the placental and fetal toxicity of aconitine and benzoylaconine.

Hierarchical ZSM-5 zeolites with controllable structure were hydrothermally synthesized through self-assembly of zeolite seeds by the assistance of cetyltrimethylammonium bromide (CTAB) without other organic co-solvent or additive, and characterized by XRD, FT-IR, SEM, TEM and N2adsorption. The results show that the synthesized samples are of pure MFI structure with high crystallization, and the crystal sizes of hierarchical ZSM-5 are primary nanoparticles. The addition of CTAB can decrease the primary nanoparticle sizes to 10 nm and hinder further aggregation of nanoparticles into zeolite crystal. The BET surface area, total pore volume and external surface area of hierarchical ZSM-5 samples can be tuned by the amount of CTAB. It is thought that the addition of NaOH and CTAB plays an important role in crystallization and self-assembly of zeolite seeds. Compared with ZSM-5 prepared without CTAB, the hierarchical ZSM-5 shows better stability and 2,6-dimethylnaphthalene yield in the methylation of 2-methylnaphthalene with methanol.

Database is widely used in computer systems currently, and OLE DB is the main method for applications to access database on Microsoft's system. In order to store sensitive data in commercial database management system, application often encrypt the data before keeping it into database. UDF (User Defined Function) is helpful for applications in encrypting procedure, but it can't handle Lob (Long object) data. A secure OLE DB provider for enhancing user authentication and encrypting Lob data in database is proposed. By adding necessary attributes of user authentication and cipher algorithm to encrypt Lob data in OLE DB provider, the security of data stored in database is improved. Experiments show that the proposed OLE DB provider is transparent, efficient, easy to implement and reliable.

As to the BSP model assembly line balancing problem, an integration to random distribution about the field data in statistical software of SPSS, is made in the paper with software of eM-Plant, a model and simulate to the production line is built to discover the bottleneck of the production line and the unbalance problem of line fast and accurately. The optimization design and simulation analysis and evaluation can be achieved to optimization goal and shorten the optimization time.

Material is the carrier of all industrial design, which is inseparable with. Material is the material basis for human survival and development and new materials is a foundation for future world. With the development of science and technology and rapidly changing times, people have developed more new material on the basis of traditional materials. Based on gray theory of new materials evaluation system, the paper made an analysis and research on a representative of the new materials.

ABSTRACTBackgroundChinese shidu parents (bereaved parents over the age of 49 who have lost their only child) are potentially at a high risk of prolonged grief disorder (PGD), posttraumatic stress disorder (PTSD) and insomnia.ObjectiveThe current study aimed to estimate three network models in 310 shidu parents who met the ICD-11 criteria for PGD: (1) a PGD network to identify central symptoms; (2) a comorbidity network to explore bridge symptoms between PGD and PTSD; (3) a comorbidity network to examine the associations between PGD and insomnia symptoms.MethodsThe R-packages bootnet, qgraph and networktools were used to investigate the structure of network models and centrality indices of symptoms. In addition, robustness and significance analyses for the edge weights and the order of centrality were performed.ResultsEmotional pain and numbness emerged as the most central symptoms in the PGD network. In the PGD-PTSD comorbidity network, the highest bridge strength symptoms were inability to trust others (PGD) and feeling upset (PTSD). Inability to trust others (PGD), avoidance (PGD), and impairment of life quality (insomnia) were possible bridge symptoms connecting PGD and insomnia.ConclusionsReducing emotional pain and numbness may be a viable target in PGD interventions for shidu parents. Additionally, findings suggest that future studies could examine the role of inability to trust others and avoidance in PGD comorbidities.HIGHLIGHTS• Emotional pain and numbness were the most influential symptoms in shidu parents with PGD. The role of PGD symptoms of inability to trust others and avoidance in the comorbidities of PGD with PTSD and insomnia might be worthy of further study

Dysregulations of cytochromes P450 (P450s) under liver injury have been extensively studied. However, little is known about the possible reversing effects of hepatoprotective agents, the understanding of which is of great importance in guiding clinical dosage adjustment for patients with liver injury. This study aims to investigate the dysregulation patterns of major P450s in thioacetamide (TAA)-induced liver cirrhosis in rats and the potential counteracting effects of hepatoprotective agents schisandra lignans extract (SLE) and dimethyl diphenyl bicarboxylate (DDB). TAA intoxications for 6 weeks induced apparent liver injury and dramatically reduced the hepatic protein expressions of CYP1A2, CYP2C6, CYP2E1, and CYP3A2 to 18, 71, 30, and 21% of that in the normal control, respectively. Both SLE and DDB treatments could significantly reverse the TAA-induced loss of P450 protein levels, which may be ascribed to their hepatoprotective effects and direct P450-inducing effects that have been confirmed in healthy rats. However, the recovery of enzyme activities of most P450s by SLE and DDB treatment was less evident than that for the protein expression levels. TAA exhibited NADPH-, time-, and concentration-dependent inactivating effects on all of the four major P450 isozymes; both DDB and GSH showed little effects on counteracting such an inactivation efficacy. These findings provided a good explanation on the disproportional effects of hepatoprotective agents in recovering the protein levels and enzyme activities of TAA-induced dysregulated P450s.

Dysregulations of cytochromes P450 (P450s) under liver injury have been extensively studied. However, little is known about the possible reversing effects of hepatoprotective agents, the understanding of which is of great importance in guiding clinical dosage adjustment for patients with liver injury. This study aims to investigate the dysregulation patterns of major P450s in thioacetamide (TAA)-induced liver cirrhosis in rats and the potential counteracting effects of hepatoprotective agents schisandra lignans extract (SLE) and dimethyl diphenyl bicarboxylate (DDB). TAA intoxications for 6 weeks induced apparent liver injury and dramatically reduced the hepatic protein expressions of CYP1A2, CYP2C6, CYP2E1, and CYP3A2 to 18, 71, 30, and 21% of that in the normal control, respectively. Both SLE and DDB treatments could significantly reverse the TAA-induced loss of P450 protein levels, which may be ascribed to their hepatoprotective effects and direct P450-inducing effects that have been confirmed in healthy rats. However, the recovery of enzyme activities of most P450s by SLE and DDB treatment was less evident than that for the protein expression levels. TAA exhibited NADPH-, time-, and concentration-dependent inactivating effects on all of the four major P450 isozymes; both DDB and GSH showed little effects on counteracting such an inactivation efficacy. These findings provided a good explanation on the disproportional effects of hepatoprotective agents in recovering the protein levels and enzyme activities of TAA-induced dysregulated P450s.

Metabolic research for herbal medicine (HM) is a formidable task, which is still in its infancy due to complicated components in HM, complex metabolic pathways, and lack of authentic standards. The present work contributes to the development of a powerful technical platform to rapidly identify and classify metabolites of herbal components based on a liquid chromatography hybrid ion trap time-of-flight mass spectrometry. Taking Schisandra lignans extract as an example, the metabolic studies were completed both in vitro and in vivo. In the in vitro study, metabolites for five representative Schisandra lignans were identified and structurally characterized. The major metabolic pathways were summed as demethylation, hydroxylation, and demethylation and hydroxylation. In the in vivo study, 44 metabolites were detected in rat urine. These metabolites were identified and classified rapidly according to the metabolic rules obtained in the in vitro studies, and hydroxylation was confirmed as the primacy metabolic pathway for lignans in rat urine. In addition, "relative cumulative excretion" (RCE) for the metabolites in female and male rats were calculated according to their relative intensities in the urine samples collected at 0 to 12, 12 to 24, and 24 to 36 h. As a result, great gender-related difference on RCE was observed. For most metabolites, RCE in female rats was significantly lower than that in male rats. In conclusion, the presently developed methodology and approach on metabolic research for Schisandra lignans will find its wide use in metabolic studies for herbal medicines.