Search

Two new chemical constituents, japopenoid D (1), and japopenoid E (2), were isolated and identified from the flower buds of Lonicera japonica Thunb. The structures of these compounds were elucidated based on spectroscopic analysis (HR-ESI-MS, NMR), and the absolute configurations of 1 and 2 were determined by comparison of their electronic circular dichroism (ECD) spectra with literature and theoretical calculation. The anti-inflammatory activities of the isolates were evaluated by measuring their inhibitory effects on PGE2 and IL-6 production in LPS stimulated RAW 264.7 macrophages. As a result, compound 1 could reduce PGE2 and IL-6 levels in LPS-activated RAW 264.7 macrophages with IC50 values of 6.78 and 42.07 μM, respectively.

Eight previously undescribed diarylheptanoids (1–8), together with fifteen known analogues (9–23), were isolated from the rhizomes of Zingiber officinale. Their structures were unambiguously determined by comprehensive spectroscopic analyses and electronic circular dichroism (ECD) calculations. It is worth mentioning that 1–3 are the first reported structures of diaryl ether heptanoids in Z. officinale, whereas 15–17 were isolated from Zingiber for the first time. Furthermore, a gene enrichment analysis of the interacting targets indicated that diarylheptanoids were mainly associated with the anti-tumor activity by affecting DNA damage signaling pathway. The results showed that 6, 16–19 had remarkable inhibitory effects against five tumor cell lines (A549, HepG2, HeLa, MDA-MB-231, and HCT116) with IC50 values ranging from 6.69–33.46 μM, and showed down-regulating the expression of ATR (ataxia telangiectasia mutated and RAD3-related) and CHK1 (checkpoint kinase 1) levels in HCT116 and A549 cell lines. Our studies not only enrich the structural diversity of diarylheptanoids in nature, but also discover several natural compounds for anti-tumor agents.

Phytochemical investigations on the dry leaves of Illicium dunnianum have led to the isolation of 24 lignans. Illiciumlignans G–K (1–5) were five undescribed benzofuran lignans, illiciumlignan L (6) was one undescribed ditetrahydrofuran lignan, illiciumlignans M–O (7–9) were three new sesquilignans, and compounds 10, 12, 13, 15, and 18–21 were firstly isolated from the genus Illicium. Their structures were elucidated by detailed spectroscopic analyses (UV, IR, HR-ESI-MS, and NMR) and CD experiments. All isolates were evaluated by measuring their inhibitory effects on PGE2, and NO production in LPS-stimulated RAW 264.7 macrophages.

Objective To study the antipyretic and anti-inflammatory constituents from the active fraction of Reduning (RDN) Injection. Methods In this study, the active fraction of RDN Injection was screened by the LPS-induced mouse endotoxin shock model. The chemical constituents were isolated by chromatography on HP-20 macroporous adsorptive resins, silica gel, ODS columns and reverse phase MPLC and HPLC repeatedly, and their structures were elucidated based on spectroscopic analysis (HR-ESI-MS, NMR, ECD) and chemical methods. Meanwhile, we evaluated the anti-inflammatory activities of the isolates by measuring their inhibitory effects on TNF-α production in LPS stimulated RAW 264.7 macrophages. Results The 95% ethanol eluate of RDN Injection by the macroporous adsorption resin column was proved to be the antipyretic and anti-inflammatory active fraction of this injection. A novel iridoid, named jasminoide A (1), and a new guaiane sesquiterpenoid, named (1R,7R,8S,10R)-7,8,11-trihydroxy-4-guaien-3-one (2), were isolated from Reduning injection, and compound 2 can inhibit TNF-α production with IC50 values of 72.24 µmol/L. Conclusion In this study, two new terpenoids were isolated from Reduning Injection, and compound 2 showed inhibitory activity against LPS-activated TNF-α production in RAW 264.7 cells in vitro.

A new nitrogen-containing iridoid glycoside, named (7 R,3���R)-lonijapospiroside A (1), together with thirteen known iridoid glycosides, were isolated from the flower buds of Lonicera macranthoides. The structures of these compounds were established on the basis of spectroscopic analyses. Among them, compounds 1-4 are four diastereoisomers, and their absolute configurations were accurately established by the NOE spectra as well as comparison of their experimental and calculated ECD spectra. The anti-inflammatory activities of all isolates were evaluated by measuring their inhibitory effects on NO, IL-6, and TNF-�� production in LPS stimulated RAW 264.7 macrophages. Compound 14 exhibited anti-inflammatory activities by inhibiting IL-6 with an IC50 value of 54.70 ��M, comparable to that of the positive control (hydrocortisone, IC50: 62.6 �� 1.7 ��M).

Cimicifuga dahurica (Turcz.) Maxim, which is also regarded as the main origin of "shengma" in Chinese Pharmacopoeia, has been used as cooling and detoxification agents for thousands of years. Our previous phytochemical investigations of C. dahurica extracts (CDEs) led to the isolation of a series of 9, 19-cycloalkane triterpenoids and phenolic acids showing a potential anti-inflammatory activity. However, the chemical profiling of CDEs and the material basis of its anti-inflammatory effect in vivo has not been clarified. In the present study, the CDEs chemical profile and prototype components in rat plasma were identified via ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS). As a result, a total of 106 components were identified or tentatively characterized in CDEs, including 54 triterpenoids, 35 phenolic acids, eight amides and nine other type constituents (39 compounds were confirmed with the reference standards). And 20 prototype components (15 triterpenoids and five phenolic acids) were identified in rat plasma, which potentially related to the anti-inflammatory effects of CDEs. Moreover, the anti-inflammatory activities of the main prototype components were further evaluated by their inhibitory effects on the production of NO, as well as the expressions of iNOS and COX-2 in lipopolysaccharide (LPS)-stimulated RAW264.7 cells, which indicated that 9, 19-cycloalkane triterpenoids may play an anti-inflammatory role by down-regulating the expression of iNOS.

Five new phenylpropanoid allopyranosides (1–5), along with five known compounds (6–10) were isolated from the rhizomes of Cimicifuga dahurica. Their structures were established by means of spectroscopic analyses and chemical methods, as well as comparison with literatures. The anti-inflammatory activities of all isolates were evaluated. Compounds 6, 9 and 10 exhibited inhibitory effects on PGE2 production in LPS stimulated RAW 264.7 macrophages with IC50 values of 19.72, 6.33 and 39.90 µM, respectively.

Phytochemical study on rhizomes of Cimicifuga dahurica resulted in the isolation of nine new neolignan and phenylpropanoid glycosides, cimicifugasides A-E (1, 2, 7-9), cimicifugamides B-D (3-5), shomaside G (6) along with four known compounds (10-13). Their structures were identified by extensive spectroscopic analyses (1D-, 2D-NMR, MS, CD, IR, UV) and chemical methods. Their anti-inflammatory potentials were evaluated by measuring their effects on PGE2 production of LPS-stimulated RAW264.7 cells, and compounds 12 and 13 showed moderate anti-inflammatory activities.

As recognized as the most economical and effective measure to increase carbonate oil and gas well production, matrix acidising is widely used. The main feature of acidising and the key influence factor of increasing production is what kind of acid etched wormholes can be formed. The actual etched wormholes grow in disorder and randomly, that's why it is extremely difficult to describe by classical mathematical methods. Due to the lack of a quantitative calculation model for the growth law of acid-etched wormholes, penetration depth, competition and distribution patterns among different etched wormholes, an effective method for acidising parameters optimization cannot be formed. The stimulated production of different wells vary greatly. In order to establish the corresponding quantitative calculation model for geometric size of acid etched wormholes, three-dimensional competitive distribution of different wormholes, and production prediction, also to achieve the quantitative optimization of treatment parameters for different wells and improve oil and gas production, firstly, we designed and completed indoor core etched experiments and CT scanning technology to obtain the true three-dimensional morphology of linear acid etched wormholes. Besides, the radial wormholes in 14 cubic feet of super large cores were proven to meet the requirement of fractal. The fractal dimensions of these two wormhole types were also obtained. Furthermore, a quantitative calculation model for the wormhole length expansion was established. Secondly, according to the mathematical model of extending competition among different acid etched wormholes, the fractal distribution law of the length of wormholes in the vertical direction is obtained. Combined with the fractal wormhole length calculation model, a method to solve the dual fractal model by calculating the maximum wormhole length is given. Finally, the classic acidised production rate calculation model was revised. The influence of the three-dimensional expansion length and distribution of wormholes on the skin factor was considered in detail. The sensitivity of key acidising parameters, such as acid strength and pumping rate, was also analyzed. The results show that both the linear wormholes obtained from conventional cores and the radial wormholes obtained from super-large cores can be described by fractal geometry. The fractal dimension corresponding to the optimal pumping rate is 1.46-1.63. Considering the dual-fractal distribution of acid-etched wormholes, the skin factor is larger than that of the conventional equalization model. This is mainly due to the fact that the equalization model only uses the maximum length of the wormholes. This also explains why wells or layers with negative skin factors can still increase production rate after uniform acidising. At the same time, for a specific layer, there is a better acid strength and pumping rate. With these parameters, the acid consumption and predicted production rate are better, which provides a theoretical basis for the quantitative optimization of acidising treatment parameters.

Jin-hong tablets (JHT), a well-known Traditional Chinese Patent Medicine (TCPM), has been effectively used for the treatment of chronic superficial gastritis (CSG) in clinic. The metabolic profile of TCPMs is the key part of discovering their bioactive components. In this study, a five-step strategy based on ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q/TOF-MS) and metabolynxTM software combined with mass defect filter (MDF) technique was developed to delineate the metabolic profile of JHT in vivo. As a result, a total of 163 JHT-related xenobiotics (38 prototypes and 125 metabolites) were identified or tentatively characterized in rat biological samples, and the phase I and II metabolism process mainly included demethylation, hydroxylation, sulfation and glucuronidation. In addition, after oral administration of JHT, a large amount of alkaloids-related ingredients were detected in rat plasma samples, indicating that alkaloids may play an important role in the treatment of CSG with JHT. This study is beneficial for understanding of JHT's in vivo metabolic profiles and characteristics, which helps to reveal its in vivo effective components and provides a solid basis for further studies on its functional mechanism.

Zanazour Oilfield has the typical characteristics of large perforation interval span, large number of perforation intervals, large differences in physical properties between different layers, and uneven fluid production profile. In order to achieve uniform acidification requirements, improve fluid production profile, and increase the use of low permeability layers, a multifunctional diverting acid fluid system suitable for the characteristics of the Zanazour oilfield was developed. The system has the characteristics of temporary blocking and diverting, selective acidification, and energy-assisted flowing back and so on. Based on the reservoir and fluid characteristics, lithology and physical properties of the oilfield, three acid liquid systems with good compatibility and temporary plugging, diverting, deep acidification, and energy-enhancing flowing back were developed, and their properties were tested with laboratory tests. At the same time, in order to give full play to the advantages of different functional acid liquid systems and achieve the purpose of synergistic enhancement, selective foamed acid systems and technologies, as well as emulsified self-diverting acid systems and technology have been formed. The pilot implementation of the field experiments, through high construction success rate and significant better production increasing effect than that of conventional liquids, indicated that the multifunctional diverting acid system and synergistic acidification technology have better adaptability in the oil field.

A cylindrical drift chamber (CDC) has been developed for the COMET Phase-I experiment. To search for the muon-to-electron conversion with a sensitivity of $3 \times 10^{-15}$, the CDC is required to have momentum resolution of 200 keV/$c$ for 100-MeV/$c$ electrons. In order to reduce the multiple scattering, we have selected a chamber gas mixture of 90% helium with 10% isobutane. Construction of the CDC was successfully conducted, and performance evaluation is being carried out. We have confirmed stable operation without a magnetic field thus far based on cosmic-ray tests. In this paper, the motivation, design, construction, and commissioning status of the CDC are presented.

Chronic superficial gastritis (CSG) is a common disease of the digestive system that possesses a serious pathogenesis. Jinhong tablet (JHT), a traditional Chinese medicine (TCM) prescription, exerts therapeutic effects against CSG. However, the molecular basis of its therapeutic effect has not been clarified. Herein, we employed UPLC-Q/TOF-MS-based chemical profile identification to determine the chemical components in JHT. Further, we applied network pharmacology to illustrate its molecular mechanisms. A total of 96 chemical constituents were identified in JHT, 31 of which were confirmed using reference standards. Based on the bioinformatics analysis performed using the symptom-guided pharmacological networks of “chi,” “blood,” “pain,” and “inflammation,” and a target screening based on the interaction probabilities between compounds and targets, MMP2, DRD2, and AKR1B1 were identified as key targets in the therapeutic effect exhibited by JHT against CSG. Moreover, according to the inhibitory activities presented in the literature and binding mode analysis, the structural types of alkaloids, flavonoids, organic acids, including chlorogenic acid (10), caffeic acid (13), (-)-corydalmine (33), (-)-isocorypalmine (36), isochlorogenic acid C (38), isochlorogenic acid A (41), quercetin-3-O-α-L-rhamnoside (42), isochlorogenic acid B (47), quercetin (63), and kaempferol (70) tended to show remarkable activities against CSG. Owing to the above findings, we systematically identified the chemical components of JHT and revealed its molecular mechanisms based on the symptoms associated with CSG.

Lonimacranaldes A and B (1 and 2), along with one biogenetically related intermediate, lonimacranalde C (3), were isolated from the flower buds of Lonicera macranthoides. Characterized by an iridoid structure and an additional C-6 unit with an aldehyde group, compounds 1 and 2 are the first examples of hybrid iridoids possessing an unexpected 6/5/6 fused tricyclic ring system, while compound 3 serves as an important precursor for their generation. The structures of lonimacranaldes A–C (1–3) were revealed by extensive spectroscopic and X-ray diffraction analyses. A plausible biogenetic pathway for them was proposed. Compound 3 showed anti-inflammatory activities by inhibiting the production of IL-6 on LPS-induced RAW 264.7 cells with an IC50 value of 6.33 μM.

The permeability of typical tight oil reservoir cores is measured using difference fluid medium (nitrogen, formation water, kerosene), and a capillary permeability model considering boundary retention layers is build. The computed values of the model are compared with experimental values of cores. The difference of permeability using different fluid medium is discussed concerning boundary retention layer thickness, movable fluid pore space and clay contents. The experiment results showed that targeted reservoir cores klinkenberg permeability K∞ was 66.86% of conventional gas permeability Kg, and water permeability KW was 11.66% of Kg, and oil permeability KO was 2.46% of Kg. KW and KO could characterize reservoir water injection and development difficulty better than Kg. Kh/K (ratio between permeability of capillary model considering and not considering boundary retention layer), is perfectly consistent with K∞/Kg, which indicates that capillary permeability model considering boundary retention layer has good consistency with seepage characteristics of actual reservoir. The tight cores have smaller effective pore-throat space for flowing, and get larger effect of boundary retention layers. The smaller the permeability core have, the closer between Kh/K and K∞/Kg. Boundary layer thickness are increased by Clay swelling, and flow channel are blocked by clay off and migration, that the main reason of KW smaller than K∞. The lower Kg cores have, the more KW/K∞ decrease magnitude. KO is much lower than K∞ and KW because of increased oil seepage resistance by two-phase seepage and boundary retention layer.

Three unusual sesquiterpenoid dimers, nardochinoids A–C (1–3), were isolated from Nardostachys chinensis Batal. Compound 1 features a rare fused 3,8-dioxatricyclo[7.2.1.01,6]dodecane-11-one ring system, compound 2 is the first nitrogen-containing nornardosinane–aristolane sesquiterpene conjugate, and compound 3 represents the first example of the dimer of a nornardosinane and a nardosinane sesquiterpene. Their structures were characterized by NMR spectroscopic methods and X-ray single-crystal diffraction analysis. Compound 3 showed significant anti-inflammatory activities.

Cadmium (Cd) as a non‐essential toxic metal has become one of the seriously environmental problems. Overload of Cd into plant shoots, particularly the addible parts (i.e., grains), jeopardizes crop production and food safety. Isolating and identifying genotypic variations in Cd accumulation of rapeseed (Brassica napus) cultivars is an efficient approach for phytoremediation and developing lower Cd‐accumulating plants. In this study, a trial was conducted under natural condition in Nanjing, China, from 2014 to 2017, and identified 64 rapeseed cultivars collected from the areas of Gui Zhou province. Rapeseed grew under moderate Cd exposure (5 mg kg⁻¹) for 5 months, and shoots were harvested for Cd quantification. A great variation of total Cd concentrations in shoots, ranking from 0.16 to 17.03 mg Cd kg⁻¹, was found. Following the initial examination of all cultivars, two sets of plants with high (#138 and #177) and low (#208 and #244) Cd concentrations were further investigated. Throughout the growth period, cultivars #138 and #177 accumulated more Cd during vegetative (30, 60, and 120 d) and late developmental (180 d) stages than cultivars #208 and #244. The higher Cd concentration in shoots of #138 and #177 was associated with the higher Cd concentration in xylem sap, suggesting the greater capability of Cd translocation from roots to shoots. Compared to #208 and #244, Cd exposure moderately reduced zinc and iron concentrations in some tissues of #138 and #177, whereas the manganese and magnesium concentrations showed no change. Although #138 and #177 cultivars accumulated more Cd in their shoots, no Cd toxicity was detected. Moreover, both #138 and #177 cultivars had a similar biomass to #208 or #244. These results suggest that #138 and #177 rapeseeds are tolerant to Cd stress.

Four previously unreported sesquiterpenoid diasteromers, arteannoides U–X (1–4), together with one new norsesquiterpenoid 5 (arteannoide Y) and one undescribed rearranged cadinene sesquiterpenoid 6 (arteannoide Z) were obtained from the dried aerial parts of Artemisia annua (Qinghao). Notably, arteannoides U–X (1–4) are four stereoisomers that possess the same molecules and the same planar connectivity, but differ from each other in configuration at a certain stereocenter. Their accurate structures were unambiguously identified and distinguished by extensive spectroscopic analyses, NMR calculations with DP4+ analysis, electronic circular dichroism (ECD) calculations and X-ray diffraction analyses. Compounds 1, 3, and 4 showed inhibitory activities against the production of inflammatory cytokines (PGE2, NO, IL-6 and TNF-α) in lipopolysaccharide (LPS)-induced RAW 264.7 macrophages.

The reoxidation of molten steel by oxidising slag directly affects the molten steel cleanliness. There is a good relationship between molten steel cleanliness and the defect sources of cold rolled sheets. The results show that there is a direct relationship of the slag composition to steel cleanliness and the rate of surface defects on the final products. The thermodynamic calculations show that the activity of iron oxide decreases with the increase of w(CaO)/w(Al2O3) specifically when the content of T.Fe in slag remains at lower levels. In order to enhance the absorption ability of the slag to Al2O3 inclusions, w(CaO)/w(Al2O3) should be controlled in the range of 1.0–1.4 in the liquid region of slag when T.Fe content in RH final slag is less than 6 mass%. By reasonable control of T.Fe content and w(CaO)/w(Al2O3) in the slag, the defect content of sheets significantly declines.

Cryoprotective saccharides are widely accepted additives that reduce thawing loss, maintain texture, and retard protein denaturation in the frozen seafood. The present study aimed to investigate the roles of trehalose and alginate oligosaccharides on cryoprotection of frozen shrimp, primarily focusing on the interactions between myosin and saccharide molecules using a molecular dynamics (MD) simulation analysis. The results indicated that soaking in the trehalose and alginate oligosaccharides solutions markedly reduced thawing and cooking losses in frozen shrimp, with respective values decreasing to 6.02%, 8.14%, and 5.99%, 8.19% after 9weeks of storage, which were significantly lower than that of fresh water treatment (9.75% and 15.09%). Our assumption was that water replacement played a leading role in cryoprotection, as shown in previous experimental results and reports. Furthermore, homology modeling and MD simulations confirmed that trehalose and alginate oligosaccharides substituted the water molecules around the myosin surface by forming hydrogen bonds with polar residues of amino acids, thereby stabilizing the structures in the absence of water during frozen storage. These conditions affected the flexibility of particular amino acid residues, enhanced the residue cross correlations within the two chains of myosin, and also increased the total interaction energy between myosin and water/saccharide molecules, thereby leading to an increase in protein stability. Finally, by comparing the experimental results to that of MD simulation, significant positive correlation existed between saccharides and the stabilization of myosin in shrimp muscle. The findings of the present study may help better understand the cryoprotective mechanisms of saccharides in frozen shrimp, and the two saccharides may be potentially used as alternative additives in seafood to maintain better quality during frozen storage.

Two new iridoid glycosides, 2′-O-cis-coumaroylgardoside (1), and 6′-O-caffeoylioxide (2), were isolated from the fruit of Gardenia jasminoides. The structures of these compounds were elucidated based on spectroscopic analysis (HR-ESI-MS, NMR) and chemical methods. The anti-inflammatory activities of the isolates were evaluated by measuring their inhibitory effects on PGE2 production in LPS stimulated RAW 264.7 macrophages, compounds 1 and 2 could reduce PGE2 levels in LPS-activated RAW 264.7 macrophages with IC50 values of 121.4 and 83.38 μM, respectively.

A new phenylpropanoid allopyranoside (1) and a new indolinone alkaloid (2) were isolated from the rhizomes of Actaea dahurica (syn. Cimicifuga dahurica). The structures of those two compounds were deduced as cimicifugaside F (1) and 3E,11E-(3-methyl-2-butenylidene acid)-2-indolinone-1-O-β-d-glucopyranoside (2) by detailed analysis of their MS, 1D and 2D NMR data and comparison with literatures. Additionally, the isolates were evaluated for their inhibitory effects on the production of NO by LPS-stimulated RAW 264.7 macrophages.

Ten cycloart-7-ene triterpenoid glycosides, including three new compounds (1–3), were isolated from the roots of Cimicifuga dahurica. Their structures were elucidated on the basis of extensive spectroscopic analyses, chemical methods and comparison with literatures. In addition, the isolates were evaluated for their inhibitory effects on the production of NO, as well as the expressions of iNOS and COX-2 in LPS-stimulated RAW 264.7 macrophages. The results showed that compounds 3, 5, 6, 7 and 8 can reduce the release of NO in a dose-dependent manner. Mechanistically, Western blot analysis indicated that the NO inhibitory effects relied on down-regulating the expression of iNOS, and partially associated with lowering the expression of COX-2.

A series of [1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine derivatives have been synthesized and their structures were confirmed by single-crystal X-ray diffraction. Compared to some reported structures of 1,6-dihydro-1,2,4,5-tetrazine, these compounds can't be considered as having homoaromaticity. Their antiproliferative activities were evaluated against MCF-7, Bewo and HL-60 cells in vitro. Two compounds were highly effective against MCF-7, Bewo and HL-60 cells with IC50 values in 0.63-13.12μM. Three-dimensional quantitative structure-activity relationship (3D-QSAR) studies of comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were carried out on 51 [1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine derivatives with antiproliferative activity against MCF-7 cell. Models with good predictive abilities were generated with the cross validated q(2) values for CoMFA and CoMSIA being 0.716 and 0.723, respectively. Conventional r(2) values were 0.985 and 0.976, respectively. The results provide the tool for guiding the design and synthesis of novel and more potent tetrazine derivatives.

New vadimezan hydrazones were synthesized as E/Z isomers and characterized by IR, 1H NMR, MS, and HRMS techniques; the ratio of isomers was analyzed by NOESY spectra. All compounds were evaluated for their cytotoxic activities against endometrial Ishikawa, lung A549 and NCI-460, chorion Bewo, cervical HeLa and Siha, breast MCF-7, leukemia HL-60, liver BEL-7402, and stomach BGC-823 cancer cell lines in vitro by standard MTT assay. The preliminary pharmacological results indicated that compound 5c exhibited most promising cytotoxic activity against NCI-460 cell line with IC50 value of 7.01 ± 0.53 μM.

With complex fractured-vuggy heterogeneous structures, water has to be injected to facilitate oil production. However, the effect of different water injection modes on oil recovery varies. The limitation of existing numerical simulation methods in representing fractured-vuggy carbonate reservoirs makes numerical simulation difficult to characterize the fluid flow in these reservoirs. In this paper, based on a geological example unit in the Tahe Oilfield, a three-dimensional physical model was designed and constructed to simulate fluid flow in a fractured-vuggy reservoir according to similarity criteria. The model was validated by simulating a bottom water drive reservoir, and then subsequent water injection modes were optimized. These were continuous (constant rate), intermittent, and pulsed injection of water. Experimental results reveal that due to the unbalanced formation pressure caused by pulsed water injection, the swept volume was expanded and consequently the highest oil recovery increment was achieved. Similar to continuous water injection, intermittent injection was influenced by factors including the connectivity of the fractured-vuggy reservoir, well depth, and the injection–production relationship, which led to a relative low oil recovery. This study may provide a constructive guide to field production and for the development of the commercial numerical models specialized for fractured-vuggy carbonate reservoirs.

Thirteen new sesquiterpenoids, arteannoides F-R (1-13), along with 13 known analogues (14-26), were isolated from the dried aerial parts of Artemisia annua L. Their structures, including absolute configurations, were unambiguously determined by a combination of physical data analyses (HRESIMS, 1D and 2D NMR, and ECD) as well as the crystal structures of 1, 5, 6, 15, 19, and 23. Among the isolated compounds, 1 features an unusual 11-oxatricyclo[6.2.1.04,9]undecan-2-ene ring system, 5 possesses an uncommon 4,11-ether bridged tricyclic framework, whereas 6 is a new eudesmane-type sesquiterpenoid formed via rearrangement of its carbon backbone. The systemically anti-inflammatory activities of all isolates were evaluated by measuring their inhibitory effects on PGE2, NO, TNF-α, and IL-6 production in LPS-stimulated RAW 264.7 macrophages. Moreover, the structure activity relationships of some compounds are summarized, this study will provide new structural templates for discovering potential anti-inflammatory agents.

This article reports the morphology, size, and distribution evolution of MnS inclusions in non-quenched and tempered steel during heat treatment. The variation of single large-sized MnS inclusions at high temperature was observed in situ using a confocal scanning laser microscope (CSLM). The slender MnS inclusions first changed to pearl-like strings. These small-sized pearls subsequently coalesced and became closer together as the temperature increased. Large-sized MnS inclusions in non-quenched and tempered steel samples with different thermal histories were investigated with respect to the evolution of their morphology, size, and distribution. After 30 min of ovulation at 1573 K, the percentage of MnS inclusions larger than 3 µm decreased from 50.5% to 3.0%. After a 3 h soaking period, Ostwald ripening occurred. Most MnS inclusions moved from the grain boundaries to the interior. The present study demonstrates that heat treatment is an effective method of changing the morphology, size, and distribution of MnS inclusions, especially large-sized ones.

Arteannoide A (1), an unusual cadinane dimer featuring a rare fused 6,8-dioxabicyclo[3.2.l]octan-7-one ring system, arteannoides B and C (2 and 3), two novel heterodimers incorporating a rearranged cadinene sesquiterpenoid and a phenylpropanoid, together with two new rearranged cadinene sesquiterpenoids 4 and 5, were isolated from Artemisia annua L. Their structures were determined by a combination of NMR spectroscopy, electronic circular dichroism calculations, and X-ray diffraction analyses. Compounds 2 and 3 showed inhibition of nitric oxide production in lipopolysaccharide-induced RAW 264.7 mouse macrophage cell lines with IC50 values of 4.5 and 2.9 μM, respectively.

A new dimeric secoiridoids derivative, named japonicaside E, together with six known compounds were isolated from the flower buds of Lonicera japonica. The structures of these compounds were elucidated by the analyses of mass spectrometry and NMR spectroscopy. All compounds were evaluated for anti-inflammatory activity in vitro.

Two new labdane diterpenoids, Leojaponin E (1) and F (2), together with three known compounds were isolated from the dried herb of Leonurus japonicus Houtt., Lamiaceae. Their structures were determined based on extensive spectroscopic analyses. The absolute configurations of 1 and 2 were elucidated on the basis of experimental and calculated electronic circular dichroism spectra. In addition, compounds 1 and 2 exerted inhibition of LPS-induced PGE2 production in a dose-dependent manner at concentrations ranging from 5 to 20 μM.

A reliable and sensitive liquid chromatography-ion trap-time of flight tandem mass spectrometric assay (LCMS-IT-TOF) coupled with accelerated solvent extraction (ASE) was developed to identify and quantify six typical heterocyclic aromatic amines (HCAs), including 2-amino-3-methylimidazo[4,5-f]quinoline (IQ), 2-amino-3,4-dimethylimidazo[4,5-f]quinoline (MeIQ), 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx), 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP), 2-amino-9H-pyrido[2,3-b]indole (AαC) and 2-amino-3-methyl-9H-pyrido[2,3-b]indole (MeAαC) in cooked meat products. The effects of various experimental factors on separation and detection were investigated, and the fragmentation patterns of six HCAs were discussed. The method has shown high reproducibility with intra-day and inter-day precision (RSD, %) less than 6.16% across three quality control levels for the six analytes. The assay was linear over the concentration range of 10 to 1000 μg L−1 for IQ, MeIQ and 5 to 500 μg L−1 for MeIQx, PhIP, AαC and MeAαC (r2 ≥ 0.996). The experimental results showed that the proposed method can be used successfully to identify and determine six typical HCAs at ultra-trace levels (μg kg−1) in cooked meat products.

Keywords: NMR; 1H NMR; 13C NMR; 2D NMR; Compositae; Artemisia annua; sesquiterpenoid

Pb, Cd contamination is a serious enviroment problem in the process of exploitation and utilization of zinc mine. In this study, the contents and different fractions of Pb, Cd were investigated in a regions of zinc smelting with indigenous method. The results revealed that Pb, Cd pollution were seriously in smelting slags and farmland. The contents of Pb, Cd were 34 times and 9 times as that of the background values of soil. The sequential extraction test showed that 80% of Pb were associated with residual Pb, Fe-Mn oxides bound Pb and Organic bound Pb, while exchangeable fractions Pb was quitely lower.The sequence of Cd fracttions in slags was residual fraction>Fe-Mn oxide-bound>Exchangeable> Carbonate-bound > Organic-bound. The exchangeable fraction Cd in farmland soils was the most and reached 24%~43%. Bioavailability of Cd is very high in the studied area and had huge threat to the crop security and human healthy.

To evaluate the protective effects of Reduning Injection (热毒宁注射液, RDN), a patent Chinese medicine, on lipopolysaccharide (LPS)-induced acute lung injury (ALI) in rats and its underlying mechanisms of action. Sixty male Sprague-Dawley rats were randomly divided into 6 groups, including normal control, model, dexamethasone (DEX, 5 mg/kg), RDN-H (720 mg/kg), RDN-M (360 mg/kg) and RDN-L (180 mg/kg) groups, with 10 rats in each group. Rats were challenged with intravenous injection of LPS 1 h after intraperitoneal treatment with RDN or DEX. At 6 h after LPS challenge, lung tissues and bronchoalveolar lavage fluid (BALF) were collected, and the number of inflammatory cells was determined. The right lungs were collected for histopathologic examination, measurement of gene and protein expressions, superoxide dismutase (SOD) and myeloperoxidase (MPO) activities. In vivo pretreatment of RDN (360, 720 mg/kg) significantly reduced the weight of wet to dry (W/D) ratio of lung, protein content in BALF, and led to remarkable attenuation of LPS-induced histopathological changes in the lungs. Meanwhile, RDN enormously decreased BALF total inflammatory cells, especially neutrophil and macrophage cell numbers. Moreover, RDN increased SOD activity, inhibited MPO activity, alleviated LPS-induced tumor neurosis factor-α (TNF-α) and inducible nitric oxide synthase (iNOS) expression in lung tissues. Furthermore, RDN (720 mg/kg) efficiently weakened nuclear factorkappa B (NF-κB) gene and protein expression. Anti-inflammatory effects of RDN was demonstrated to be preventing pulmonary neutrophil infiltration, lowering MPO activity, TNF-α and iNOS gene expression by inhibiting NF-κB activity in LPS-induced ALI.

Six new monoterpene glycosides, named 6'-O-nicotinoylalbiflorin (1), 4'-O-vanillylalbiflorin (2), paeonidanin L (3), paeoniflorigenin-1-O-β-d-xyloside (4), 6'-(2-hydroxypropanoyl)-paeoniflorin (5), oxylactiflorin (6), together with 16known ones (7-22) were isolated from the 70% ethanol extract of Paeoniae Radix. Their structures were elucidated based on spectroscopic analysis (1D and 2D NMR, HRESIMS, IR and UV), chemical evidences and comparison with literatures. The inhibitory effects of all the isolates were evaluated against lipopolysaccharide (LPS) stimulated PGE2 production in RAW 264.7 macrophages.

A series of xanthone analogues modified from vadimezan 6 with carboxyl substitution were synthesized as esters, amides, arylidene hydrazides, diacylhydrazides and acyl thiosemicarbazides, and their structures were confirmed by IR, 1H NMR, MS, HRMS or elemental analysis. The in vitro anticancer activities were evaluated by the MTT method. It was found that compounds 8f, 8g and 10e were effective against A549 with an IC50 at 10.8 μM, 9.4 μM and 11.5 μM respectively, and that 8e was effective against HL-60 with an IC50 at 4.6 μM. Compounds 8f–h showed a significant inhibitory effect on HUVEC growth and migration in vitro, among which 8h inhibited HUVEC growth with an IC50 at 6.4 μM and HUVEC migration by 67.6% and 89.7% at 2.5 μg mL−1 and 10 μg mL−1 respectively. More spectacularly, docking study indicated that compound 8h might target the ATP binding site of VEGFR2. In addition, compounds 8a, 8f–h exhibited moderate in vivo antitumor efficacy against the S180 xenograft in ICR mice by 22.4–29.6% tumor weight inhibition.

A series of novel 5-alkyl(aryl)-3-[(3-trifluoromethyl)anilino]-4,5-dihydro-1H-pyrazolo[4,3-d]pyrimidin-4-imines were designed and synthesized by the multistep reactions. 1 reacted with 3-(trifluoromethyl)aniline to obtain N,S-acetals 2 in the presence of 10 mol% DBU. 2 reacted with hydrazine to form 5-amino-3-[(3-trifluoromethyl)anilino]-1H-pyrazol-4- nitrile 3, the target compounds 5a, 5b, 5c, 5d, 5e, 5f, 5g, 5h, 5i, 5j, 5k, 5l, 5m were obtained by the reaction of 3 with triethyl orthoformate followed by the cyclization of 4 with various amines. Their structures were confirmed by IR, 1H NMR, EI-MS, and elemental analyses. The preliminary bioassay indicated that some of them displayed moderate herbicidal activity against dicotyledonous weed Brassica campestris L at the concentration of 100 mg/L. For example, compounds 5f, 5g, 5h, and 5j possessed 60.1%, 63.4%, 67.1%, and 61.3% inhibition against Brassica campestris L at the concentration of 100 mg/L.

1-Acyl-3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazines were prepared by treatment of 3,6-diphenyl-1,4- (or 1,2)-dihydro-1,2,4,5-tetrazine and an equimolar amount of an acyl chloride. Further reaction with another equivalent of an acyl chloride yielded 1,4(or 1,2)-diacyl-3,6-diphenyl-1,4(or 1,2)-dihydro-1,2,4,5-tetrazines. Their structures are confirmed by 1H NMR, IR, and mass spectra and by elemental analysis and X-ray diffraction. The experimental results are also validated by calculation of molecular stabilisation energies with the DFT calculations (B3LPY method). It can be shown that when alkanoyl chlorides are used, the products are the 1,4-dihydro-1,2,4,5-tetrazines, whereas acylation with aroyl chlorides affords 1,2-dihydro-1,2,4,5-tetrazines.

Ethnopharmacological relevance Cuscuta chinensis ( C. chinensis ) is a well-known traditional Chinese herb that has been used to treat heart disease, diabetes, liver injury, cancer, and aging. Materials and methods Murine osteoblastic MC3T3-E1 cells were treated with various concentrations of C. chinensis water extraction at different time intervals. The antioxidant effect of C. chinensis on MC3T3-E1 cells was evaluated using MTT and TUNEL assays. The effect of C. chinensis on cell cycle was analyzed by flow cytometry with propidium iodide. Lipid peroxidation was measured by the HPLC method. The cellular redox status was determined from the reduced glutathione to oxidized glutathione ratio (GSH/GSSG) and the enzymes involved in glutathione metabolism, including glutathione reductase (GR), Glutathione S-transferase (GST), and Glucose-6-phosphate dehydrogenase (G6PD). The changes in relative mitochondrial transmembrane potential (Δ Ψm ) in the MC3T3-E1 cells were analyzed with rhodamine 123 staining. Western blot analysis was used to evaluate the levels of cytochrome c (cyto c ), Bax, Bcl-2, caspase 3, Sirt3, and IDH2 expressions. Results The C. chinensis water extraction protects tertiary butyl hydroperoxide (TBHP)-treated MC3T3-E1 cells from death in a dose-dependent manner. C. chinensis treatment significantly inhibited the reactive oxygen species (ROS) generation, malondialdehyde (MDA) production, and increased the activity of superoxide dismutase (SOD), GR, GST, and G6PD. The release of cyto c from mitochondria was reduced by C. chinensis , which increased the expression of antiapoptotic IDH2, Sirt3, and Bcl-2 and decreased the expression of Bax, cyto c , and caspase 3. Conclusions C. chinensis modulated the oxidative stress-induced apoptosis in MC3T3-E1 cells, probably due to its antioxidant activity and functioning via mitochondria-dependent pathways.

The aim of this study was to investigate the therapeutic efficacies and treatment effects of absolute ethanol and bleomycin for the treatment of venous malformation (VM) in children. A total of 138 children with VM were randomly divided into two groups; 75 patients were treated with absolute ethanol, while a further 63 were treated with bleomycin under general anesthesia between February 2009 and February 2012. The treatment outcome and complications were observed in the two groups and the treatment efficacy was classified as one of four categories: cured, markedly effective, effective and ineffective. The curative effect was analyzed 6–24 months after treatment, with a mean of 15 months. Absolute ethanol was effective (cured, markedly effective or effective) in 71 cases and bleomycin was effective in 41 cases, and the difference between the effective rates was considered to be statistically significant (χ2=19.6, P

Strike a pose! A series of 4-anilinoquinazolines were designed, synthesized and evaluated in vitro against lung and breast cancer cell lines. Several compounds were found to be endowed with cytotoxicity in the low micromolar range. Molecular docking suggests that these compounds bind to EGFR in a similar manner to known EGFR inhibitors.

This study was designed to investigate the antifebrile effect and mechanisms of Bai-Hu decoction (BHD), a traditional Chinese medical (TCM) prescription. The rabbits used in this study received an intravenous injection of lipopolysaccharide (LPS) after being orally administered with BHD, ibuprofen, or saline, and their rectal temperatures were monitored by a copper–constantan thermocouple. Concentrations of interleukin-1 beta (IL-1β) and tumor necrosis factor alpha (TNF-α) in serum and hypothalamus were assayed using the commercially available rabbit IL-1β and TNF-α enzyme-linked immunosorbent assay kits following the manufacturer’s instructions. The BHD treatment group exhibited a significant fall in body temperature in both peaks compared with the LPS group (p

A rare hetero dimeric terpenoid derivative, named japonicaside C, together with five known secoiridoid gloucosides were isolated from the flower buds of Lonicera japonica. The structures of these compounds were established on the basis of spectroscopic analyses. Japonicaside C is the first representative of a novel type of hetero dimeric terpenoid, biogenetically originated from a guaiane-type sesquiterpenoid and a secoiridoid glucoside. Anti-virus activity of the isolated compounds was evaluated in vitro.

Xyloglucan endotransglucosylase/hydrolases (XTH) are one of the key enzymes regulating cell wall construction, extension and metabolism. In the study, 44 XTH protein genes from Medicago truncatula genome were identified using bioinformatics, microarray and RT-PCR. Each XTH was showed to possess a highly conserved domain ((D/N)-E-(I/L/F/V)-D-(F/I/L)-E-(F/L)-L-G), and most of XTHs possess four Cys in the C terminal region, which suggests the potential for generating disulfide bonds. Based on the XTH protein sequences, these XTHscan be classified into three major families and each family can be subdivided into more groups. Examination of the genomic location of XTH genes on M. truncatula chromosomes showed that the evolutional expansion of the genes was possibly attributed to localized gene duplications. To investigate the possible involvement of the XTHs responding to heavy metals and other abiotic stresses, the XTH genes were exposed to heavy metal (Hg or Cu), salt and drought stresses. There were 28, 21 and 21 MtXTH genes found to respond to HgCl2, salt and drought stresses, respectively, but their expression were different under the stresses. Some of the XTH genes were well confirmed by quantitative RT-PCR (qRT-PCR). We further specified expression of a XTH gene Medtr4g128580 (MtXTH3) under different environmental stresses, and showed that MtXTH3 was induced by Hg exposure. These results indicated that a group of MtXTHs could be differentially expressed under the environmental stresses.

Nine fungal strains, previously isolated from produced wastewater in Liaohe oilfield in China, were screened for the study on the biodegradation ability of heavy oil in a batch of shake-flask culture. Among them, fungi F1, F4, F5 and F7 showed relatively higher abilities for the biodegradation of heavy oil. Heavy oil removal rates after 56 days by the above four strains were 57.82 %, 63.30 %, 36.46 % and 45.63 %, respectively. In addition, the biodegradation process followed the first- order kinetics, and the half- life of heavy oil from long to short order was F5>F7>F1>F4. By contrast, fungus F4 was the highest effective strain for heavy oil degradation. Degradation rates of petroleum fractions by different fungal strains varied significantly. And the highest degradation rates of alkanes was 42.99 % by F5, and correspondingly, that of aromatics with 37.87 % by F1, and that of colloids and asphaltenes with 46.42 % by F4.

For high grade pipeline steel, elimination of Al2O3 inclusions can improve the susceptibility of hydrogen-induced cracking (HIC) and stress corrosion cracking (SCC). In the present work, the transformation of Al2O3 inclusions with slag-metal reaction was studied by controlling ladle slag and relative technologies in LF-RH refining process. It is found that Al2O3 inclusions decrease with increasing refining time, and no pure Al2O3 inclusions exist in molten steel at the end of secondary refining; the remained inclusions in molten steel are liquid calcium aluminates and semi-liquid CaO-MgO-Al2O3 complex inclusions. The analysis of thermodynamic equilibrium proves that CaO and MgO in slag can be reduced by aluminum in molten steel, which is the source of calcium and magnesium in molten steel.