AGImpute: imputation of scRNA-seq data based on a hybrid GAN with dropouts identification.

MOTIVATION: Dropout events bring challenges in analyzing single-cell RNA sequencing data as they introduce noise and distort the true distributions of gene expression profiles. Recent studies focus on estimating dropout probability and imputing dropout events by leveraging information from similar cells or genes. However, the number of dropout events differs in different cells, due to the complex factors, such as different sequencing protocols, cell types, and batch effects. The dropout event differences are not fully considered in assessing the similarities between cells and genes, which compromises the reliability of downstream analysis. RESULTS: This work proposes a hybrid Generative Adversarial Network with dropouts identification to impute single-cell RNA sequencing data, named AGImpute. First, the numbers of dropout events in different cells in scRNA-seq data are differentially estimated by using a dynamic threshold estimation strategy. Next, the identified dropout events are imputed by a hybrid deep learning model, combining Autoencoder with a Generative Adversarial Network. To validate the efficiency of the AGImpute, it is compared with seven state-of-the-art dropout imputation methods on two simulated datasets and seven real single-cell RNA sequencing datasets. The results show that AGImpute imputes the least number of dropout events than other methods. Moreover, AGImpute enhances the performance of downstream analysis, including clustering performance, identifying cell-specific marker genes, and inferring trajectory in the time-course dataset. AVAILABILITY AND IMPLEMENTATION: The source code can be obtained from https://github.com/xszhu-lab/AGImpute.

Oxygen Vacancy Engineering and Constructing Built-In Electric Field in Fe-g-C3N4/Bi2MoO6 Z-Scheme Heterojunction for Boosting Photo-Fenton Catalytic Degradation Performance of Tetracycline.

A novel Fe-g-C3N4/Bi2MoO6 (FCNB) Z-scheme heterojunction enriched with oxygen vacancy is constructed and employed for the photo-Fenton degradation of tetracycline (TC). The 2% FCNB demonstrates prominent catalytic performance and mineralization efficiency for TC wastewater, showing activity of 8.20 times greater than that of pure photocatalytic technology. Density-functional theory (DFT) calculations and degradation experiments confirm that the formation of Fe-N4 sites induces spin-polarization in the material, and the difference in Fermi energy levels results in the formation of built-in electric field at the contact interface, which facilitates the continuous generation and migration of photogenerated carriers to address the issue of insufficient cycling power of Fe (III)/Fe (II).The reactive radicals persistently target the extremely reactive sites anticipated by the Fukui function, causing the mineralization of TC molecules into "non-toxic" compounds through processes of hydroxylation, demethylation, and deamidation. This work holds significant importance in the domain of eliminating organic pollutants from water.

New Insights into Photo-Fenton Chemistry: The Overlooked Role of Excited IronIII Species.

Direct photoreduction of FeIII is a widely recognized route for accelerating FeIII/FeII cycle in photo-Fenton chemistry. However, most of the wavelengths covering the full spectral range are insufficient to supply enough photon energy for the direct reduction process. Herein, the hitherto neglected mechanism of FeIII reduction that the FeIII indirect reduction pathway initiated by light energy-dependent reactivity variation and reactive excited state (ES) was explored. Evolution of excited-state FeIII species (*FeIII) resulting from metal-centered charge excitation (MCCE) of FeIII is experimentally verified using pulsed laser femtosecond transient absorption spectroscopy with UV-vis detection and theoretically verified by quantum chemical calculation. Intense photoinduced intravalence charge transition was observed at λ = 380 and 466 nm, revealing quartet 4MCCE and doublet 2MCCE and their exponential processes. Light energy-dependent variation of *FeIII reactivity was kinetically certified by fitting the apparent rate constant of the radical-chain sequence of photo-Fenton reactions. Covalency is found to compensate for the intravalence charge separation following photoexcitation of the metal center in the MCCE state of Fenton photosensitizer. The *FeIII is established as a model, demonstrating the intravalence hole delocalization in the ES can be leveraged for photo-Fenton reaction or other photocatalytic schemes based on electron transfer chemistry.

Structural Damage Detection under Ambient Excitation Using Symbolic Three-Order Square Matrix Formed by Specific-Interval-Sampled Time-Domain Signals.

In the structural health monitoring of vibration systems, varying excitation always affects the accuracy of damage identification. The proposed symbolic three-order square matrix damage detection method with the matrix norm as a damage indicator can solve the difficult problem of damage identification under ambient excitation. The new sampling pattern extracts data from signals in the time domain at specific intervals based on the structural properties with the help of the autocorrelation coefficient. Then, the data extracted are converted into symbols and arranged into a three-order square matrix, and the Frobenius norm of the matrix is used for structural damage identification as a reliable damage indicator. In this process, the transmissibility function is employed to eliminate the effects of varying excitation. First, the method was verified by a cracked simply supported beam-a simulated Abaqus model. Then, a wooden truss bridge in the laboratory and an actual engineering scenario under ambient excitation together demonstrated the effectiveness and accuracy of the damage identification method and proved the proposed method to be robust to different types of damage under ambient excitation. Compared with other related methods, this method is more intuitive and efficient.

Confined Tri-Functional FeOx @MnO2 @SiO2 Flask Micromotors for Long-Lasting Motion and Catalytic Reactions.

H2 O2 -fueled micromotors are state-of-the-art mobile microreactors in environmental remediation. In this work, a magnetic FeOx @MnO2 @SiO2 micromotor with multi-functions is designed and demonstrated its catalytic performance in H2 O2 /peroxymonosulfate (PMS) activation for simultaneously sustained motion and organic degradation. Moreover, this work reveals the correlations between catalytic efficiency and motion behavior/mechanism. The inner magnetic FeOx nanoellipsoids primarily trigger radical species (• OH and O2 •- ) to attack organics via Fenton-like reactions. The coated MnO2 layers on FeOx surface are responsible for decomposing H2 O2 into O2 bubbles to provide a propelling torque in the solution and generating SO4 •- and • OH for organic degradation. The outer SiO2 microcapsules with a hollow head and tail result in an asymmetrical Janus structure for the motion, driven by O2 bubbles ejecting from the inner cavity via the opening tail. Intriguingly, PMS adjusts the local environment to control over-violent O2 formation from H2 O2 decomposition by occupying the Mn sites via inter-sphere interactions and enhances organic removal due to the strengthened contacts and Fenton-like reactions between inner FeOx and peroxides within the microreactor. The findings will advance the design of functional micromotors and the knowledge of micromotor-based remediation with controlled motion and high-efficiency oxidation using multiple peroxides.

Metal Borides as Excellent Co-Catalysts for Boosted and Long-Lasting Fenton-like Reaction: Dual Co-Catalytic Centers of Metal and Boron.

The continuous electron supply for oxidant decomposition-induced reactive oxygen species (ROS) generation is the main contributor for the long-standing micropollutant oxidation in the iron-based advanced oxidation processes (AOPs). Herein, as a new class of co-catalysts, metal borides with dual active sites and preeminent conductive performance can effectively overcome the inherent drawback of Fenton-like reactions by steadily donating electrons to inactive Fe(III). Among the metal borides, tungsten boride (WB) exhibits a significant co-catalytic performance run ahead of common heterogeneous co-catalysts and exceptionally high stability. Based on qualitative and semi-quantitative tests, the hydroxyl radical, sulfate radical, and iron(IV)-oxo complex are all produced in the WB/Fe(III)/PDS system and Fe(IV)-induced methyl phenyl sulfoxide decomposition is up to 72%. Moreover, the production efficiency of ROS and relative proportions of radical and nonradical pathways change with various experimental conditions (dosages of PDS, WB, and solution pH) and water matrices. The rate-determining step of Fe(II) regeneration is greatly accelerated resulting from the synergetic effect between exposed metallic reactive sites and nonmetallic boron with reductive properties of WB. In addition, the self-dissolution of surface tungsten oxide and boron oxide leads to a renovated surface for sustainable Fe(III) reduction in long-term operations. Our discovery provides an efficient and sustainable strategy in the field of enhanced AOPs for water remediation.

Electronic transport properties of two-dimensional tetragonal zinc chalcogenides.

The electronic transport properties of two-dimensional (2D) tetragonal ZnX (X = S, Se) monolayers have been studied using density functional theory (DFT) and non-equilibrium Green's function (NEGF) methods. The gate voltage (a 5 V in particular) generally enhances the transport performance of the monolayers, which is ca. three times that without the gate voltage. It is shown that the transport properties of the Janus Zn2SeS monolayer may show a relatively good trend among the ZnX monolayers, and the Zn2SeS monolayer has the highest sensitivity to gate-voltage regulation. We also investigate the photocurrent of ZnX monolayers under linearly polarized light irradiation in the visible and near-ultraviolet regions, and the ZnS monolayer processes a maximum value of 15 a02 per photon in the near-ultraviolet region. The excellent electronic transport properties make environmentally friendly tetragonal ZnX monolayers promising for utilization in various electronic and optoelectronic devices.

Intravoxel incoherent motion predicts positive surgical margins and Gleason score upgrading after radical prostatectomy for prostate cancer.

BACKGROUND: Whether Intravoxel incoherent motion (IVIM) can be used as a predictive tool of positive surgical margins (PSMs) and Gleason score (GS) upgrading in prostate cancer (PCa) patients after radical prostatectomy (RP) still remains unclear. The aim of this study is to explore the ability of IVIM and clinical characteristics to predict PSMs and GS upgrading. METHODS: A total of 106 PCa patients after RP who underwent pelvic mpMRI (multiparametric Magnetic Resonance Imaging) between January 2016 and December 2021 and met the requirements were retrospectively included in our study. IVIM parameters were obtained using GE Functool post-processing software. Logistic regression models were fitted to confirm the predictive risk factor of PSMs and GS upgrading. The area under the curve and fourfold contingency table were used to evaluate the diagnostic efficacy of IVIM and clinical parameters. RESULTS: Multivariate logistic regression analyses revealed that percent of positive cores, apparent diffusion coefficient and molecular diffusion coefficient (D) were independent predictors of PSMs (Odds Ratio (OR) were 6.07, 3.62 and 3.16, respectively), Biopsy GS and pseudodiffusion coefficient (D*) were independent predictors of GS upgrading (OR were 0.563 and 7.15, respectively). The fourfold contingency table suggested that combined diagnosis increased the ability of predicting PSMs but had no advantage in predicting GS upgrading except the sensitivity from 57.14 to 91.43%. CONCLUSIONS: IVIM showed good performance in predicting PSMs and GS upgrading. Combining IVIM and clinical factors enhanced the performance of predicting PSMs, which may contribute to clinical diagnosis and treatment.

MicroRNA-29c-3p in dual-labeled exosome is a potential diagnostic marker of subjective cognitive decline.

OBJECTIVE: The present study aimed to determine whether peripheral blood neural cell adhesion molecule (NCAM)/amphiphysin 1 dual-labeled exosomal proteins and microRNAs (miRs) might serve as a marker for the early diagnosis of Alzheimer's disease (AD). METHODS: This observational, retrospective, multicenter study used a two-stage design conducted in Beijing and Shanghai, China. The subjects included 76 patients with subjective cognitive decline (SCD), 80 with amnestic mild cognitive impairment (aMCI), 76 with dementia of Alzheimer's type (AD), 40 with vascular dementia (VaD), and 40 controls in the discovery stage. These results were confirmed in the verification stage. The levels of Aß42, Aß42/40, T-Tau, P-T181-tau, neurofilament light chain (NfL), and miR-29c-3p in peripheral blood amphiphysin 1 single-labeled and NCAM/amphiphysin 1 dual-labeled exosomes were captured and detected by immunoassay. RESULTS: In the discovery stage, the levels of Aß42 and miR-29c-3p in peripheral blood NCAM/amphiphysin 1 dual-labeled exosome of the SCD group were significantly higher than those in control and VaD groups (all P < 0.05). The verification stage further confirmed the results of the discovery stage. Plasma NCAM/amphiphysin 1 dual-labeled exosomal miR-29c-3p showed a good diagnostic performance. The NCAM/amphiphysin 1 dual-labeled exosomal miR-29c-3p had the highest AUC for diagnosis of SCD. The levels of Aß42, Aß42/40, Tau, P-T181-tau, and miR-29c-3p in peripheral blood exosomes were correlated to those in CSF (all P < 0.05). The combination of exosomal biomarkers had slightly higher diagnostic efficiency than the individual biomarkers and that the exosomal biomarkers had the same diagnostic power as the CSF biomarkers. CONCLUSION: The plasma NCAM/amphiphysin 1 dual-labeled exosomal miR-29c-3p had potential advantages in the diagnosis of SCD.

Metabolomics analysis reveals Oct4 overexpression drives metabolic reprogramming and enhanced glycolysis and pentose phosphate pathway in lung adenocarcinoma cells.

Poor prognosis in the underlying mechanisms involved in lung adenocarcinoma and its treatment leads to low survival rates in patients. Emerging evidence indicates that cancer is primarily a metabolic disease and metabolic reprogramming is a well-established hallmark and driving force of cancer. Oct4, acting as an oncogene, is a major regulator of cell pluripotency. It can reprogram the differentiated cells into cancer stem cells (CSCs) and plays an oncogenic role when pathologically hijacked. However, data that Oct4, the genetic reprogramming factor, could induce metabolic reprogramming have been very limited, and the direct evidence in metabolic level whether Oct4 reprograms metabolome is lacking. In the present study, integrated untargeted and targeted metabolomics analyses were utilized to investigate metabolic changes induced by Oct4 overexpression in lung adenocarcinoma cells. The results suggested that elevated expression levels of Oct4 drive metabolic reprogramming. Oct4 overexpression redirects glucose catabolism to glycolysis pathway and to the oxidative pentose phosphate pathway (PPP). This study identifies unique pathways that are candidate therapeutic targets for the treatment of lung adenocarcinoma. This study also aims to improve our understanding of the cancer-promoting activity of Oct4 and help identify novel diagnostic and therapeutic strategies for cancer treatment.

Severely High Lactic Acid in Severe Pneumonia Patient: a Case Report.

BACKGROUND: Severe pneumonia (SP) is a clinically critical acute disease which has a higher mortality rate among infectious diseases. In this report, a rare case of severe pneumonia with severely high lactic acid (up to 24 mmol/L) and relatively normal pH was analyzed. METHODS: The case was discussed from different angles including acid-base balance disorder, the use of extractor-poreal membrane oxygenation (ECMO), dialysis treatment, circulatory disturbance, and inspection methodology. RESULTS: Hypoxia and dissolution of muscles caused by circulatory disorders may be the cause of the abnormal increase of lactate in this case; while the relatively normal pH may be caused by the dialysis treatment. CONCLUSIONS: Such a high blood gas lactic acid value is extremely rare, and this increase is not due to the limitations of the test method. High lactic acid may not result in the significant decrease of pH when the patient receives continuous systemic treatment.

Two-year left ventricular systolic function of percutaneous coronary intervention vs optimal medical therapy for patients with single coronary chronic total occlusion.

In this study, two-dimensional speckle tracking echocardiography (2D-STE) and real-time three-dimensional echocardiography (RT-3DE) were applied to compare the changes of left ventricular systolic function associated with percutaneous coronary intervention (PCI) versus optimal medical therapy (OMT) in patients with single chronic total occlusion (CTO). 63 single CTO patients (age 61.88 ± 8.86 years) were examined by echocardiography and were divided into the PCI group (n = 27) and OMT group (n = 36) according to the initial treatment strategy. Two-dimensional left ventricular ejection fraction (2D-LVEF), two-dimensional indexed left ventricular end-systolic volume (2D-LVESVI), and two-dimensional indexed left ventricular end-diastolic volume (2D-LVEDVI) were measured using two-dimensional echocardiography (2DE). Three-dimensional left ventricular ejection fraction (3D-LVEF), three-dimensional indexed left ventricular end-systolic volume (3D-LVESVI), and three-dimensional indexed left ventricular end-diastolic volume (3D-LVEDVI) were measured using RT-3DE. Global circumferential strain (GCS) and global longitudinal strain (GLS) were measured using 2D-STE. After 2 years of follow-up, there were no significant differences in the 2D-LVEF, 2D-LVESVI, 3D-LVEF, 3D-LVESVI, 3D-LVEDVI, and GCS, except for GLS (P = .001) between the CTO-PCI and CTO-OMT groups. GLS decreased significantly in OMT group (P = .016) in contrast with PCI group in which GLS increased significantly (P = .007). Left ventricular systolic function assessment using 2D-STE showed a significant difference in GLS between CTO-PCI and CTO-OMT. And the patients who chose PCI revascularization at the 2-year follow-up had better left ventricular systolic function improvement than those who were conservatively treated with OMT.

Transcriptome Analysis of Myzus persicae to UV-B Stress.

As an environmental stress factor, ultraviolet-B (UV-B) radiation directly affects the growth and development of Myzus persicae (Sulzer) (Homoptera: Aphididae). How M. persicae responds to UV-B stress and the molecular mechanisms underlying this adaptation remain unknown. Here, we analyzed transcriptome data for M. persicae following exposure to UV-B radiation for 30 min. We identified 758 significant differentially expressed genes (DEGs) following exposure to UV-B stress, including 423 upregulated and 335 downregulated genes. In addition, enrichment analysis using the Gene Ontology and Kyoto Encyclopedia of Genes and Genomes databases illustrated that these DEGs are associated with antioxidation and detoxification, metabolic and protein turnover, immune response, and stress signal transduction. Simultaneously, these DEGs are closely related to the adaptability to UV-B stress. Our research can raise awareness of the mechanisms of insect responses to UV-B stress.

A Pilot Study of Rare Renal Amyloidosis Based on FFPE Proteomics.

Renal amyloidosis typically manifests albuminuria, nephrotic-range proteinuria, and ultimately progresses to end-stage renal failure if diagnosed late. Different types of renal amyloidosis have completely different treatments and outcomes. Therefore, amyloidosis typing is essential for disease prognosis, genetic counseling and treatment. Thirty-six distinct proteins currently known to cause amyloidosis that have been described as amyloidogenic precursors, immunohistochemistry (IHC) or immunofluorescence (IF), can be challenging for amyloidosis typing especially in rare or hereditary amyloidosis in clinical practice. We made a pilot study that optimized the proteomics pre-processing procedures for trace renal amyloidosis formalin-fixed paraffin-embedded (FFPE) tissue samples, combined with statistical and bioinformatics analysis to screen out the amyloidosis-related proteins to accurately type or subtype renal amyloidosis in order to achieve individual treatment. A sensitive, specific and reliable FFPE-based proteomics analysis for trace sample manipulation was developed for amyloidosis typing. Our results not only underlined the great promise of traditional proteomics and bioinformatics analysis using FFPE tissues for amyloidosis typing, but also proved that retrospective diagnosis and analysis of previous cases laid a solid foundation for personalized treatment.

Effect of TLR2 on the proliferation of inflammation-related colorectal cancer and sporadic colorectal cancer.

BACKGROUND: Colitis-associated cancer (CAC) is a complication of inflammatory bowel disease (IBD) with a poor prognosis because it is often diagnosed in advanced stages with local progression or metastasis. Compared with the more common polyp-induced sporadic colorectal cancer (sCRC), CAC has different molecular mechanisms. Toll-like receptor 2 (TLR2) expression is not limited to cells related to inflammation and immune function. High levels of TLR2 expression in tumor tissues of colorectal cancer (CRC) patients have been reported. This report is to investigate the effects of knockout and knockdown of the TLR2 gene on the proliferation of CAC and sCRC. METHODS: Twelve C57BL/6 J wild-type mice (WT) and 12 TLR2 knockout mice (TLR2-/-) were used to rapidly establish a colitis-associated cancer (CAC) model via the 1,2-dimethylhydrazine-dextran sodium sulfate (DMH-DSS) method and were divided into the normal WT control group (NC), TLR2 knockout control group (KC), normal wild-type tumor modeling group (NT), and TLR2 knockout tumor modeling group (KT), with 6 mice in each group. The general performance of the mice during modeling, the gross changes of the colon and the rectum, and the pathological score of HE staining were used to observe tumor growth. The expression of TLR2 was detected by immunohistochemistry, and tumor proliferation was detected by Ki67 labeling. Lentivirus carrying TLR2-RNAi was used to stably infect colorectal cancer cells (HCT116 and HT29) to knock down TLR2 gene expression. The experimental groups included the uninfected control group, negative control group, and gene knockdown group. After infection, the expression of TLR2 protein was detected by Western blot, and cell proliferation and the cell cycle were detected by the CCK-8 method and fluorescence-activated cell sorting. Western blot was used to detect the expression levels of p- NF-κß, cyclin D1 and cyclin D3 protein in each group of cells. RESULTS: TLR2 knockout in the CAC model resulted in greater changes in body weight and more severe diarrhea and colorectal hemorrhage. However, knocking out the TLR2 gene reduced the shortening of colorectal length, the number of tumors, and the total tumor volume and inhibited the growth of CAC. Knocking out the TLR2 gene also reduced the pathological score and tumor severity. TLR2 was localized in the cell membrane of the colorectal epithelium of the NC group and of the colorectal tumors of the NT group and was highly expressed in the NT group, while antigen Ki67 was localized in the nucleus of the colorectal tumor cells of the NT group and the KT group, and its expression was reduced in the KT group. In an in vitro sporadic colorectal cancer cell experiment, TLR2 protein in the TLR2 knockdown group was significantly downregulated, and TLR2 knockdown significantly inhibited the proliferation of HCT116 and HT29 colorectal cancer cells, resulting in G1 phase arrest. The expression levels of p-NF-κß, cyclin D1 and cyclin D3 proteins in TLR2 gene knockdown group cells were significantly reduced. CONCLUSION: Knockout and knockdown of TLR2 can inhibit the proliferation of inflammation-related colorectal cancer and sporadic colorectal cancer.

Atomistic Interface Dynamics in Sn-Catalyzed Growth of Wurtzite and Zinc-Blende ZnO Nanowires.

Unraveling the phase selection mechanisms of semiconductor nanowires (NWs) is critical for the applications in future advanced nanodevices. In this study, the atomistic vapor-solid-liquid growth processes of Sn-catalyzed wurtzite (WZ) and zinc blende (ZB) ZnO are directly revealed based on the in situ transmission electron microscopy. The growth kinetics of WZ and ZB crystal phases in ZnO appear markedly different in terms of the NW-droplet interface, whereas the nucleation site as determined by the contact angle ϕ between the seed particle and the NW is found to be crucial for tuning the NW structure through combined experimental and theoretical investigations. These results offer an atomic-scale view into the dynamic growth process of ZnO NW, which has implications for the phase-controllable synthesis of II-VI compounds and heterostructures with tunable band structures.

UV-Vis, Fluorescence, and Resonance Raman Spectroscopic and Density Functional Theoretical Studies on 3-Amino-1,2,4-triazole: Microsolvation and Solvent-Dependent Nonadiabatic Excited State Decay in Solution.

The microsolvation and photophysics of 3-amino-1,2,4-triazole (3AT) after excitation to the light-absorbing S2(nπ*) state were studied by using resonance Raman spectroscopy and single component artificial force-induced reaction (SC-AFIR) in a global reaction route mapping (GRRM) strategy. The vibrational spectra were assigned on the basis of experimental data and density functional theory (DFT) calculations. The resonance Raman spectra of 3AT were measured to probe the excited state structural dynamics in the Franck-Condon region. The conformations of 3AT(CH3CN)1, 3AT(CH3OH)2, and 3AT(H2O)2 clusters were determined by combining vibrational spectrum experiments and B3LYP/6-311++G(d,p) computations. DFT calculations were carried out to obtain the minimal excitation energies of the lower-lying singlet excited states, and the curve-crossing points. It was revealed that the short-time structural dynamics of 3AT were dominated by the N-N stretching coordinates. An excited state decay mechanism is proposed: 3AT is initially excited to the S2(nπ*) state, then the conical intersection (CI) of the S2(nπ*)/S1(ππ*) potential energy surfaces is crossed, and 3AT then decays to the lower solvent-dependent excited state S1(ππ*). It subsequently returns to the S0 state, accompanied by a large Stokes fluorescence shift, which was interpreted as the stabilized S1(ππ*) excited state bonding to several water molecules via intermolecular hydrogen bonding.

UV and Resonance Raman Spectroscopic and Theoretical Studies on the Solvent-Dependent Ground and Excited-State Thione → Thiol Tautomerization of 4,6-Dimethyl-2-mercaptopyrimidine (DMMP).

The vibrational spectra of 4,6-dimethyl-2-mercaptopyrimidine (DMMP) in acetonitrile, methanol, and water were assigned by resonance Raman spectroscopy through a combination of Fourier-transform infrared spectroscopy (FT-IR), FT-Raman UV-vis spectroscopy, and density functional theoretical (DFT) calculations. The FT-Raman spectra show that the neat solid DMMP is formed as a dimer due to intermolecular hydrogen bonding. In methanol and water, however, the majority of the Raman spectra were assigned to the vibrational modes of DMMP(solvent) n ( n = 1-4) clusters containing NH···O hydrogen bonds. The intermolecular NH···O hydrogen bond interactions, which are key constituents of the stable DMMP thione structure, revealed significant structural differences in acetonitrile, methanol, and water. In addition, UV-induced hydrogen transfer isomeric reactions between the thione and thiol forms of DMMP were detected in water and acetonitrile. DFT calculations indicate that the observed thione → thiol tautomerization should occur easily in lower excited states in acetonitrile and water.

Five-Golden-Flowers Tea: Green Extraction and Hepatoprotective Effect against Oxidative Damage.

The consumption of herbal teas has become popular in recent years due to their attractive flavors and outstanding antioxidant properties. The Five-Golden-Flowers tea is a herbal tea consisting of five famous edible flowers. The effects of microwave-assisted extraction parameters on the antioxidant activity of Five-Golden-Flowers tea were studied by single-factor experiments, and further investigated using response surface methodology. Under the optimal parameters (53.04 mL/g of solvent/material ratio, 65.52 °C, 30.89 min, and 500 W), the ferric-reducing antioxidant power, Trolox equivalent antioxidant capacity, and total phenolic content of the herbal tea were 862.90 ± 2.44 µmol Fe2+/g dry weight (DW), 474.37 ± 1.92 µmol Trolox/g DW, and 65.50 ± 1.26 mg gallic acid equivalent (GAE)/g DW, respectively. The in vivo antioxidant activity of the herbal tea was evaluated on alcohol-induced acute liver injury in mice. The herbal tea significantly decreased the levels of aspartate aminotransferase, total bilirubin, and malonaldehyde at different doses (200, 400, and 800 mg/kg); improved the levels of liver index, serum triacylglycerol, and catalase at dose of 800 mg/kg. These results indicated its role in alleviating hepatic oxidative injury. Besides, rutin, chlorogenic acid, epicatechin, gallic acid, and p-coumaric acid were identified and quantified by high performance liquid chromatography (HPLC), which could contribute to the antioxidant activity of the herbal tea.

[P2X7 receptor and inflammatory bowel disease].

P2X7 receptors are closely associated with inflammation, and they have been found to be expressed on colonic cells broadly. In animal model of colonic inflammation, ATP/P2X7 signaling mainly promotes inflammation, and a variety of cells, including macrophages, dendritic cells, T cells, mast cells and enteric neurons are involved in this process. However, in the toxoplasmic ileitis, P2X7 signaling plays a role in inhibiting the inflammation. But, the underlying mechanisms are still not clear. This review outlined the research progresses of P2X7 receptors in inflammatory bowel disease (IBD) to provide some clues for the further studies on the relationship between P2X7 receptors and IBD.