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Absence of any surface arc state has been regarded as the fundamental property of singular Weyl points, because they are circumvented from the Nielsen‐Ninomiya no‐go theorem. In this work, through systematic investigations on topological properties of isolated Weyl phonons (IWPs) surrounded by closed Weyl nodal walls (WNWs), which are located at the Brillouin zone (BZ) boundaries of bosonic systems, it uncovers that a new kind of phononic surface state, that is, the multi‐fold fan‐shape surface state named by us, is exhibited to connect the projections of IWP and WNWs. Importantly, the number of fan leaves in this surface state is associated with the Chern number of IWP. Moreover, the topological features of charge‐two IWP in K2Mg2O3 (SG No. 96) and charge‐four IWP in Nb3Al2N (SG No. 213) confirm further the above fundamental properties of this kind of surface state. The theoretical work not only provides an effective way to seek for IWPs as well as to determine their Chern number in real materials, but also uncovers a new class of surface states in the topological Weyl complex composed of IWPs and WNWs. [ABSTRACT FROM AUTHOR]

This paper presents a new calibration method of the accelerometer tested on a precision centrifuge to further enhance the calibration accuracy of the high-order error model coefficients. To eliminate the influence of dynamic and static error sources of precision centrifuge on calibration accuracy, nine coordinate systems are established considering the errors of a centrifuge, which are propagated by homogeneous transformation, and the accurate specific forces acting on three axes of the tested accelerometer are obtained. Based on the error model and the accurately computed input specific forces of the accelerometer, the indicated outputs of the tested accelerometer are derived, and with the combinations of indicated outputs of six calibration position pairs, a calibration model of the accelerometer is established. By designing a test plan of 12 positions under three mounting modes and using the least-squares method, all the high-order error model coefficients of the tested accelerometer are calibrated accurately. In the calibration method, the dynamic errors of precision centrifuge are introduced into the observation vectors, and the static errors are introduced into the vectors to be identified; the influence of centrifuge errors is automatically eliminated. Error analysis implies that the calibration accuracy is improved greatly. [ABSTRACT FROM AUTHOR]

The co‐factors independent cypridina bioluminescence was often used to detect molecular oxygen. Whereas the native cypridina oxyluciferin and the majority analogues only emit blue light, it limits the application of the cypridina oxyluciferin derivative in detection active oxygen species. To overcome these limitations, we design two series of oxyluciferin derivatives: 2‐acetamido‐5‐aryl‐3‐(p‐trifluoromethylphenyl)pyrazine and 2‐acetamido‐5‐aryl‐3‐(p‐methoxylphenyl)pyrazine. The results found that the fluorescence emissions of the cypridina oxyluciferin derivatives cover the whole region of visible light. Especially, 2‐acetamido‐5‐(trans‐2,3,6,7‐tetrahydro‐1H,5H‐benzo[i,j]quinolizine‐ethenyl)‐3‐(p‐trifluoromethyl phenyl)pyrazine (1 h) can emit red light. By comparison of the emission spectra and oscillator strengths, it found that electron‐donating group in C3 position contributed to blue shift wavelength and improve luminous efficiency. The increasing conjugated length by introducing a conjugated double bond made the emission spectra shift to red and the luminescence strengths much stronger. Moreover, the analysis of the relative stabilities at the ground and excited states indicates that neutral forms, not amide ions, are dominant at physiological pH. [ABSTRACT FROM AUTHOR]

Fruit processing of Prunus tomentosa leads to a considerable quantity of solid residues such as seeds, which are considered as a major industrial waste. However, this renewable waste resource can be of significant economic benefit. Thus, the aim of the present study was to develop of P . tomentosa seed waste as a source of bioactive compounds with potentially applications. This study involved the fractionation of a 70% EtOH extract of P . tomentosa seeds which afforded three news aromatic glycosides 1 , 4 and 7 together with eight known analogs ( 2 , 3 , 5 , 6 , and 8-11 ). Their structures were determined by spectroscopic analyses, especially NMR, HRESIMS and circular dichroism (CD) spectra. All isolates were tested for their α -glucosidase inhibitory and hepatoprotective effects. Compounds 10 and 11 showed inhibitory activity against α -glucosidase with IC 50 values of 4.27 and 4.34 mg/mL respectively, which are comparable to the positive control acarbose (IC 50 4.16 mg/mL). In addition, compound 11 exhibited significant hepatoprotective activity. Overall, our results suggest that P . tomentosa seeds are a promising waste and a valuable source of bioactive compounds for the pharmaceutical industry. [ABSTRACT FROM AUTHOR]

Abstract: A new compound, namely [Zn1.5(pbdc)(ATAZ)(OH)]n (1 H2pbdc=terephthalic acid, HATAZ=3-amino-1,2,4-triazole), has been obtained by in situ aminotriazole ligand synthesis and characterized by elemental analysis, thermal analysis, as well as single crystal and powder X-ray diffraction analysis. Compound 1 exhibits a 3D pillar–layer framework based on Zn(II)-aminotriazole layers and pbdc pillars, which can be simplified into a 2-fold interpenetrated pcu topological network. Interestingly, two ATAZ ligands and two OH− ligands bridge three Zn(II) ions together, giving rise to a new trinuclear {Zn3(ATAZ)2(OH)2} subunit. In addition, the luminescent and thermal stability properties for the title compound have also been studied. [Copyright &y& Elsevier]

Two new steroidal saponins, named anemarnoside A (1) and anemarnoside B (2), along with three known compounds, timosaponin J (3), timosaponin B II (4), and timosaponin B (5), have been isolated from Anemarrhena asphodeloides. Their structures were established by spectroscopic techniques (IR, MS, 1D NMR, and 2D NMR) and by comparison with published data. [ABSTRACT FROM AUTHOR]

In order to raise the accuracy of the circular gratings angle-measuring system, a comprehensive error model is established, and a novel compensation method is proposed. Firstly, many error sources, including the rotary errors of axis system, the installation eccentricity and the inclination of the circular grating disc, the graduation line error of the circular grating disc, and the installation error of the multiple readingheads of the high precision circular gratings angle-measuring system are comprehensively taken into consideration. Secondly, the position and attitude errors are propagated to the angular position outputs, thus the mathematical relationships between error sources and the angular position error are established. Aiming at multiple readingheads system, the mechanism of influence of the error sources on the angular position error is unveiled, and the mechanical error identification and reduction method is proposed. After that, a checking system with a 23-mirrored polygon and an autocollimator is set up, and the complete combinatorial method of separating the angular position errors from the readouts of the autocollimator precisely is used. Finally, the angular position error compositions are separated by the harmonic analysis method, and the concerned error coefficients are compensated. The experimental results show that the nominal indication interval value of the angular position errors is reduced to 0.23" by the mechanical error reduction method, and then the nominal indication interval value of the angular position errors is reduced to 0.12" by software measurement method. And the two sets' repeatability of the separated biases of the 23-mirrored polygon before and after compensating is 95%. [Display omitted] • An error model designed includes all error sources in angle-measuring system. • Radial error, eccentricity errors and indicating grating installing errors can be reduced. • Mechanical compensation method and software compensation method are combined to further improve angle measurement system accuracy. • Consistency of polygon separated biases in different initial angular position validates the effectiveness. • Proposed method is suitable for any angle measurement system. [ABSTRACT FROM AUTHOR]

The spectroscopic properties of acylamino form of Cypridina oxyluciferin are modulated by the covalent character of the N 4 -H 5 bond. With N 4 -H 5 bond length increasing, the weight of amide ion in the complex increase, the emission spectra shift to red. • In polar medium, the emission wavelengths varied little with solvent polarity. • Basic amino acid only slightly affect the structure and spectroscopic properties. • Because of the different electron distribution, the emission spectra is shifted to blue. • Amide ion was not taken into consideration as a possible emitter. • The spectroscopic properties of acylamino are modulated by the covalent character. Because of high bioluminescent quantum yields, independent cofactors, high signal-to-noise ratio, Cypridina bioluminescence has been successfully applied to gene reporter assays, enzyme immunoassays, immunohistology and imaging. Although the chemical reaction that transforms Cypridina luciferin into Cypridina oxyluciferin is clearly defined, the environmental effects on the spectrochemistry of Cypridina oxyluciferin continue to be a particularly intriguing aspect. In this paper, the solvent effect on the fluorescent spectrum, the basicity of amino acids and the degree of covalent character of hydrogen bond were studied by a theoretical Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TDDFT) approach. Our results demonstrate that the emission wavelengths varied little with solvent polarity. The compositive effects of basic amino acid and polarity of the environment only slightly affected the structure and spectroscopic properties. The fluorescent properties of Cypridina oxyluciferin can be modulated by the covalent character of the hydrogen bond. [ABSTRACT FROM AUTHOR]

Four undescribed oxylipin vanillyl acetals with four stereogenic carbons were isolated from the herbs of Solanum lyratum. A comprehensive set of spectroscopic methods were used to elucidate the structures and relative configurations of 1 – 4. The absolute configurations of the naturally occurring compounds are assigned as 7 S , 9′ S , 10′ S , 11′ R at the site of six-membered cyclic acetal attachment by electronic circular dichroism (ECD) calculations and the modified Mosher's method. Compounds 1 and 3 displayed moderate selective inhibition against Hep3B and HepG2 cells, respectively. Further Annexin V-FITC/PI staining assay revealed that 1 and 3 might have inhibitory effects on hepatoma cells through induction of apoptosis. Unlabelled Image • Four undescribed oxylipin vanillyl acetals were isolated from S. lyratum. • The structures were elucidated by spectroscopic analysis, ECD calculations and the modified Mosher's method. • All compounds were screened for their inhibitory effects on two human hepatoma cell lines. [ABSTRACT FROM AUTHOR]

• Seven new guaiane-type sesquiterpenoids were isolated from the roots of Daphne genkwa. • The absolute configurations were determined by ECD calculations and the modified Mosher's method. • Their neuroprotective activities against H 2 O 2 -treated SH-SY5Y cells were tested. A phytochemical study on the roots of Daphne genkwa yielded seven new guaiane-type sesquiterpenoids (1 – 7), daphne A-G. Their structures were elucidated through comprehensive spectroscopic analyses. The absolute configurations were determined by comparison between experimental electronic circular dichroism (ECD) and calculated ECD spectra via time-dependent density functional theory (TDDFT) and the modified Mosher's method. Furthermore, all isolates were evaluated for their neuroprotective activities against H 2 O 2 -induced injury in human neuroblastoma SH-SY5Y cells. Among them, compounds 1 (78.42%) and 4 (79.34%) exhibited potent neuroprotective effects against H 2 O 2 -induced neurotoxicity at 25 μM. Further Annexin V-FITC/propidium iodide (PI) doubling staining exhibited that the neuroprotective effects of compounds 1 and 4 appeared to be mediated via suppressing cell apoptosis. Flow cytometry assays also proved that compounds 1 and 4 could attenuate mitochondrial dysfunction in SH-SY5Y cells. [ABSTRACT FROM AUTHOR]

To discover diterpenoids that naturally possess chemical weapons against cancer, the biological and chemical diversity of the flower buds of Daphne genkwa Sieb. et Zucc was investigated. Guided by LC-MS/MS analysis and the MetGem Molecular Networking, eight daphnane-type and tigliane-type diterpenoids including four new compounds were isolated. Spectroscopic elucidation and ECD quantum chemical calculations revealed their structures. All compounds were evaluated their cytotoxic activity of A549, Hep3B, and MCF-7 cell lines. Compounds 1 and 8 showed potent activity against the A549 and Hep3B cells. [ABSTRACT FROM AUTHOR]

The twigs and leaves of Pithecellobium clypearia Benth have been used as a folk medicine for the treatment of diseases related to inflammation in southern China for many years. To search for novel bioactive constituents as lead structures for anti-inflammatory drug development, seven new 3, 3′-neolignans ( 1 – 7 ), together with four known ones ( 8 – 11 ) were isolated from the 70% EtOH extract of the twigs and leaves of P. clypearia . Their structures were determined by spectroscopic analyses, especially the 1D, 2D NMR and CD spectra. The antioxidant and anti-inflammatory activities of all the isolated compounds were investigated. Among them, compound 11 showed promising activity against nitric oxide (NO) and considerable antioxidant activity. These findings will help in the effective use of P. clypearia as a valuable source of novel compounds for the prevention and treatment of inflammation-related disorders. [ABSTRACT FROM AUTHOR]

Two new glycosides suspensaside C (1) and 2,3,5,6-tetrahydro-jacaranone-4-O-β-d-glucopyranoside (2), together with four known compounds suspensaside A (3), rengynic acid-1′-O-β-d-glucopyranoside (4), forsythoside A (5), and rengynic acid (6), were isolated from the fruits of Forsythia suspense (Thunb.) Vahl. The structures of 1 and 2 were elucidated on the basis of chemical and spectral analysis, including 1D, 2D NMR analyses and HR-ESI-MS. All isolates were tested for their cytotoxicities against five human cancer cell lines (A549, Colo-205, Hep-3B, HL60, and KB). Compound 3 exhibited cytotoxicity against HL-60, Hep-3B, and A549 cancer cell lines. [ABSTRACT FROM AUTHOR]

Purpose: The purpose of this paper is to describe ophthalmic findings in a family with isolated ectopia lentis (EL) caused by a specific FBN1 mutation. Methods: Detailed family histories and clinical data were recorded for six isolated EL patients of 11 family members. The ophthalmological and systematic examinations were performed on patients and unaffected members of the investigated family. The detailed ocular examinations included visual acuity, anterior chamber depth, pupil size, lens location, optometry, central corneal thickness, keratometry, slitlamp examination, fundus examination, axial length, ocular B-ultrasound, gonioscope checking, ultrasound biomicroscopy (UBM) and intraocular pressure (IOP; Goldmann applanation tonometer). Systematic examinations included the measurement of echocardiogram, height, arm span, skull, face, jaw, tooth, breast bone, spinal column, and skin. Genomic DNA was extracted using the phenol-chloroform extraction method for all subjects, and sequencing was carried out on an ABI Prism 3730 Genetic Analyzer. Results: A heterozygous mutation, c.184C>T (p.Arg62Cys) in exon 2 of FBN1 was identified in all affected members but was not found in any unaffected member of the family. Our study presented detailed clinical manifestations, including some novel ophthalmic findings, such as pupillary abnormality, different types of glaucoma, and progressive hyperopia. Conclusions: Ophthalmic findings and the p.Arg62Cys mutation of FBN1 gene were reported in a family with early-onset isolated ectopia lentis. [ABSTRACT FROM AUTHOR]

The prediction model of postoperative survival for single large and huge hepatocellular carcinoma (SLH-HCC, diameter > 5.0 cm) without portal vein tumour thrombus has not been well established. This study aimed to develop novel nomograms to predict postoperative recurrence and survival of these patients. Data from 2469 patients with SLH-HCC who underwent curative resection from January 2005 to December 2015 in China were retrospectively collected. Specifically, nomograms of recurrence-free survival (RFS) and overall survival (OS) using data from a training cohort were developed with the Cox regression model (n = 1012). The modes were verified in an internal validation cohort (n = 338) and an external cohort comprising four tertiary institutions (n = 1119). The nomograms of RFS and OS based on tumour clinicopathologic features (diameter, differentiation, microvascular invasion, α-fetoprotein), operative factors (preoperative transcatheter arterial chemoembolisation therapy, scope of liver resection and intraoperative blood transfusion), underlying liver function (albumin-bilirubin grade) and systemic inflammatory or immune status (neutrophil-to-lymphocyte ratio) achieved high C-indexes of 0.85 (95% confidence interval [CI], 0.79–0.91) and 0.86 (95% CI, 0.79–0.93) in the training cohort, respectively, which were significantly higher than those of the five conventional HCC staging systems (0.62–0.73 for RFS, 0.63–0.75 for OS). The nomograms were validated in the internal cohort (0.83 for RFS, 0.84 for OS) and external cohort (0.87 for RFS, 0.88 for OS) and had well-fitted calibration curves. Our nomograms accurately stratified patients with SLH-HCC into low-, intermediate- and high-risk groups of postsurgical recurrence and mortality. The two nomograms achieved optimal prediction for postsurgical recurrence and OS for patients with SLH-HCC after curative resection. • Nomograms for single large and huge hepatocellular carcinoma were generated. • The nomograms full coverage of recurrence- and survival-related risk factors. • An internal cohort and an external cohort were used to validate these results. • The nomograms have a higher predictive value than conventional staging systems. • Nomograms to predict recurrence and survival may help in treatment allocation. [ABSTRACT FROM AUTHOR]

The model and shape equation of compression and shear fracture nucleus of rock of earthquakes are briefly recounted in this paper. Recently rock breaking areas with two special shapes have been discovered on palisade of foundation pit excavated for dam in Hunan Province, PR China. The on-the-spot investigation indicates that all two broken areas once had the stress concentration point, and the broken area was initiated and expanded from this point. Both internal crack propagation and the outline shape are consistent separately with the rock compression and shear fracture nucleus with leaf shape of KI, KII mode and the rock compression and torsion fracture nucleus with bud shape of KI, KIII mode given by the shape equations. The further research on the forming process of rock compression and shear fracture nucleus is helpful for impending earthquake prediction. [ABSTRACT FROM AUTHOR]

Three new monoterpenoid coumarins, zantholin A (3), altissimacoumarin P-Q (5, 6), two new monoterpenoid phenylpropanoids, altissmaphenylpropanoids A-B (2, 4), along with two known compounds (7, 8), were obtained from aqueous EtOH extracts of the root bark of Ailanthus altissima. The assignments of their structures were conducted via extensive analyses of the spectroscopic data. The evidence for the reassignment of the relative configuration in compound 1 was obtained from acetonide analysis, which was also used for assigning the relative configuration of compounds 2 and 6. The utility of statistical procedure (DP4+) was assessed for the relative stereochemistry of compounds 3 and 4. The relative configuration of compound 5 was verified utilizing NOE differential spectroscopy and computational methods. A combination of Mosher's method, optical rotation calculations and a plausible biosynthetic pathway was used to confirm the absolute configuration of compounds 1–6. Moreover, the compounds were tested for their anti-tumor effects against two hepatoma carcinoma cell lines (HepG2 and Hep3B). [ABSTRACT FROM AUTHOR]

Highlights • Four new triterpenoid saponins, along with ten known saponins and five flavonoids were isolate from licorice residues. • Their structures were established by comprehensive spectroscopic analyses. • All the isolated compounds were tested for their anti-inflammatory effects. • Licorice residue can be used as a valuable source of bioactive compounds for the pharmaceutical industry of inflammatory. Abstract Industrial processing of licorice (Glycyrrhiza glabra L.) leads to a considerable quantity of residues which are normally discarded randomly or treated by landfill. Therefore, the aim of this study was to develop licorice residues as a source of bioactive compounds with potentially applications. Chemical investigation of licorice residues led to the isolation of four new triterpenoid saponins (1 – 3 , 12), along with ten known saponins (4 – 11 , 13 – 14) and five flavonoids (15 – 19). The structures were established by comprehensive spectroscopic analyses. All the isolated compounds were tested for their inhibitory effects on nitric oxide (NO) production induced by lipopolysaccharide (LPS) in RAW 264.7 cells. Among the results, compound 18 displayed the most potent NO inhibitory effect (IC 50 9.89 μM) compared with the positive control drug minocycline (IC 50 33.20 μM). Further studies showed that the levels of pro-inflammatory cytokines interleukin (IL)-1β and interleukin (IL)-6 and inducible enzymes inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2) were markedly down-regulated by compound 18. In addition, the Western blotting assay showed that compound 18 might reduce the inflammatory effect by down-regulating autophagy level. Overall, this study suggest that licorice residues are a promising waste and a valuable source of bioactive compounds for the pharmaceutical industry. [ABSTRACT FROM AUTHOR]

A newly discovered case of heteropaternal superfecundation is reported. In a case of disputed paternity involving a pair of male twins, the results suggested that the twins had different biological fathers. Heteropaternal superfecundation is rarely observed among humans; our laboratory has encountered only one case of heteropaternal twins in 78 cases of twin disputed paternities. Therefore, when it comes to the paternity testing of dizygotic twins, the possibility of heteropaternity should be kept in mind. [ABSTRACT FROM AUTHOR]

A environment-friendly 3D inorganic heteropoly blue (HPB) Ba 2 Na 2 [HPW V 4 W VI 8 O 40 ]·26H 2 O was directly synthesized by hydrothermal method and characterized by means of ICP, IR, XPS, X-ray single crystal and X-ray powder diffraction. It was an efficient heterogeneous photo-Fenton-like catalyst to degrade anionic dye methyl orange under visible light irradiation. It removed cationic dyes methylene blue in neutral environment and rhodamine B in acidic condition via flocculation. The removal efficiency of methylene blue and rhodamine B by flocculation was more than 95%. Moreover, it could degrade methyl orange and flocculate rhodamine B at the same time. For MO and MO-RhB solutions, the degradation rates of MO in 60 min were 85.5% and 49.1%, respectively. Furthermore, the possible pathways for the production of active species in the MO degradation reaction were discussed. This is the first HPB constructed with 4e-reduced phosphotungstate, Ba and Na ions, having the properties of photo-Fenton-like catalyst and flocculant. [ABSTRACT FROM AUTHOR]

The first 3D heteropoly blue Ba 2 Na 4 [SiW 4 V W 8 VI O 40 ]·19H 2 O (1) as heterogeneous Fenton-like catalyst and flocculent was hydrothermally synthesized and fully characterized by various methods 1 was an efficient Fenton-like catalyst for degradation of phenol with degradation rate of 92.1% (visible light irradiation), and 89.0% (no light) in 90 min, respectively. The degradation efficiency of anionic dye methyl orange was 97.0% in 5 min, when 1 was used as photo-Fenton-like catalyst under visible light. And 1 was a nice flocculent for cationic dyes methylene blue and rhodamine B, the removal rates were both above 95%. Moreover, 1 could degrade methyl orange and flocculate rhodamine B at the same time, but the degradation rate decreased from 100% to 77.5% in 60 min, while the flocculation of RhB in 10 min was not affected. [ABSTRACT FROM AUTHOR]

In the search for biologically active compounds from the roots ofBupleurum chinenseD C., phytochemical investigation of its ethanol extract led to the isolation and identification of a new 8-O-4′ neolignan glucoside, saikolignanoside A (1), along with eight known lignans (2–9). Their structures were determined on the basis of IR, UV, HRESIMS, and NMR spectroscopic analyses. The antioxidant and cytotoxic effects of isolated compounds were evaluatedin vitro. The isolated compounds (IC50 > 200 μM) did not display 2, 2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity. Whereas compounds1–2,5,7,and9exhibited potent 2, 2′-azinobis(3-ethyl-benzothiazoline-6-sulfonic acid) (ABTS) free radical scavenging properties with IC50values ranging from 8.34 to 15.24 μM, while compounds3–4,6,8showed moderate properties. In addition, all compounds were evaluated for cytotoxicities against A549, HepG2, U251, Bcap-37, and MCF-7 cell lines. Compounds5and9(IC50 < 51.62 μM) possessed stronger cytotoxic activities against all the tested tumor cell lines, compared with the positive control 5-Fluorouracil. [ABSTRACT FROM AUTHOR]

To evaluate the biological preference of chiral drug candidates for molecular target DNA, the synthesis and characterization of a chiral copper(II) complex ( 2 ) of a chiral ligand N , N ′-(pyridin-2-ylmethylene) dehydroabietylamine ( 1 ) was carried out. The interactions of 1 and 2 with salmon sperm DNA were investigated by viscosity measurements, UV, fluorescence and circular dichroism (CD) spectroscopic techniques. Absorption spectral, emission spectral and viscosity analysis reveal that 1 and 2 interacted with DNA through intercalation and 2 exhibited a higher DNA binding ability. In the absence/presence of ascorbic acid, 1 and 2 cleaved supercoiled pBR322 DNA by single-strand and 2 displayed stronger DNA cleavage ability. In addition, in vitro cytotoxicity of 1 and 2 against HeLa, SiHa, HepG-2 and A431 cancer cell lines study show that they exhibited effective cytotoxicity against the tested cell lines, notably, 2 showed a superior cytotoxicity than the widely used drug cisplatin under identical conditions, indicating it has the potential to act as effective anticancer drug. Flow cytometry analysis indicates 2 produced death of HeLa cancer cells through an apoptotic pathway. Cell cycle analysis demonstrates that 2 mainly arrested HeLa cells at the S phase. The study represents the first step towards understanding the mode of the promising chiral rosin-derivative based copper complexes as chemotherapeutics. [ABSTRACT FROM AUTHOR]

The discovery of new natural compounds with pharmacological properties is an increasingly important field, and a continuous phytochemical investigation of the roots of Bupleurum chinense D.C. has led to the isolation of 17 triterpenoids, including three new oleanane triterpenes ( 1 – 3 ) together with 14 known ones. Their structures were determined on the basis of 1D and 2D NMR spectra as well as HR-ESI-MS data. The cytotoxicities of all compounds against five selected human cancer cell lines were assayed. Only compounds 9 and 14 exhibited moderate activities. Recently, a number of investigations have focused on the neuroprotective properties of triterpenoids in B. chinense . In order to expand our knowledge about this herb, the neuroprotective effects of compounds 1 – 17 against hydrogen peroxide (H 2 O 2 )-induced neuronal cell damage in human neuroblastoma SH-SY5Y cells were evaluated. Compounds 1 – 3 , 6 – 7 showed significant neuroprotective effects against H 2 O 2 -induced SH-SY5Y cell death. Preliminary structure–activity relationships (SARs) between neuroprotective effects and the isolates were also discussed. [ABSTRACT FROM AUTHOR]

A new 2,7′-type cyclolignan glycoside, cyclolignanyingoside A (1), together with six known compounds (2–7) were isolated from the tubers ofPinellia ternata(Thunb.) Breit. The structure of1was elucidated on the basis of chemical and spectral analysis, including 1D, 2D NMR analyses, HR-ESI-MS, and CD spectrometry. The cytotoxic, antioxidant and tyrosinase-inhibiting activities of all the isolates were determined. However, all the isolates exhibited no activity on the selected cell lines (Hep-3B, Bcap-37, and MCF-7). In addition, compounds1–3and7exhibited strong 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulphonic acid) free radical scavenging activity, and compounds2and4showed a moderate mushroom tyrsinase inhibitory activity. [ABSTRACT FROM PUBLISHER]

As a part of our ongoing studies on cytotoxic triterpenoid saponins from herbal medicines, phytochemical investigation of the roots of Bupleurum chinense DC. afforded four new saikosaponins ( 1 – 4 ), along with 16 known ones ( 5 – 20 ). Their structures were established by direct interpretation of their spectral data, mainly HR-ESI-MS, 1D NMR and 2D NMR, and by comparison with literature data. Among them, compound 20 was isolated from the natural product for the first time. The cytotoxicities of all compounds against five selected human cancer cell lines (A549, HepG2, Hep3B, Bcap-37 and MCF-7) were assayed. In general, a number of the isolated compounds exhibited potent cytotoxic activities against the five selected human cancer cell lines. In particular, compounds 3 , 8 – 9 , 11 – 13 , 16 and 20 showed more potent cytotoxic activities against the HepG2 and A549 cell lines than the positive control 5-fluorouracil. Based on the primary screening results, the preliminary structure–activity relationship (SAR) studies were also discussed. The SAR results suggest that the 13,28-epoxy bridge, the orientation of the hydroxyl group and the type of the sugar units are important requirements for cytotoxicity and selectivity. [ABSTRACT FROM AUTHOR]

During a screening procedure involving higher plants to find novel candidates for use as anti-inflammatory agents, Tripterygium wilfordii Hook. f. was shown to exhibit considerable inhibitory activity. Five new sesquiterpene pyridine alkaloids, tripterygiumines S–W ( 1 – 4 , 15 ), along with 14 known dihydroagarofuran derivatives, were isolated from the roots of the T. wilfordii Hook. f. Their structures were established by extensive use of spectroscopic techniques, including 1D and 2D NMR spectroscopy and high-resolution mass spectrometry. All compounds were evaluated for their anti-inflammatory activity by measuring the nitric oxide production by the LPS-induced murine macrophage cell line RAW264.7. It was found that 1 , 5 , and 19 possessed potent nitric oxide inhibitory activity with IC 50 values ranging from 2.99 to 28.80 μM, without any effect on the cell viability of RAW264.7 cells. Accordingly, compounds 1 , 5 , and 19 , especially 5 , were identified as promising candidates for further scientific investigation of their potential use as anti-inflammatory agents. [ABSTRACT FROM AUTHOR]

Two copper(II) complexes, namely [Cu(HL)Cl] ( 1) and [Cu(HL)Br] ( 2), where HL is the multidentate Schiff base N-[(2-oxy-acetate)benzyl]-2-aminothanol, were synthesized and fully characterized. The CuII ions in 1 and 2 are pentacoordinate and the coordination arrangement is best described as distorted square-pyramidal. The degradation of methyl orange (MO) was investigated using 1 and 2 as homogeneous photo-Fenton-like catalysts. 1 and 2 exhibited similar catalytic activity at neutral pH. The results suggest that they have advantages on catalyzing efficient degradation of organic dye through photo-Fenton-like reaction. [ABSTRACT FROM AUTHOR]

Abstract: Phenylpropanoids are widely distributed within the Rosaceae family. In this study, 14 phenylpropanoids, including a new phenol, 7,8-erythro-7-methoxysyringylglycerol (7), and a new sesquilignan, pinnatifidanin A I (14), were isolated and identified from the seeds of Crataegus pinnatifida. The biosynthetic relationships among the compounds 1–14 are proposed. The presence of these congenetic phenylpropanoids and their biosynthetic relationships may be used for identification of species of Crataegus. [Copyright &y& Elsevier]

Abstract: To search for novel cytotoxic constituents against cancer cells as lead structures for drug development, four new 3-phenylpropanoid-triacetyl sucrose esters, named tomensides A–D (1–4), and three known analogs (5–7) were isolated from the leaves of Prunus tomentosa. Their structures were elucidated by spectroscopic analyses (1D, 2D NMR, CD and HRESIMS). The cytotoxic activities of all isolates against four human cancer cell lines (MCF-7, A549, HeLa and HT-29) were assayed, and the results showed that these isolates displayed stronger inhibitory activities compared with positive control 5-fluorouracil. Tomenside A (1) was the most active compound with IC50 values of 0.11–0.62μM against the four tested cell lines. The structure–activity relationship (SAR) of the isolates was also discussed. The primary screening results indicated that these 3-phenylpropanoid-triacetyl sucrose esters might be valuable source for new potent anticancer drug candidates. [Copyright &y& Elsevier]

Two new lignan glycosides forsythiayanoside A (1) and forsythiayanoside B (2), one new stereoisomer of lignan glycoside (+)-8-hydroxyepipinoresinol-4-O-β-d-glucopyranoside (3), together with seven known compounds (4–10), were isolated from the fruits of Forsythia suspense (Thunb.) Vahl. Compounds 4 and 10 were isolated from this species for the first time. The structures of 1–3 were elucidated on the basis of chemical and spectral analyses, including 1D and 2D NMR data and HR-ESI-MS. The absolute configurations were determined by the circular dichroism method. All isolates were tested for their cytotoxicities against five human cancer cell lines (A549, Colo-205, Hep-3B, HL60, and KB). In particular, compound 3 showed significant cytotoxicity with IC50 values of 9.48, 7.75, 0.59, 4.06, and 38.38 μM, respectively. [ABSTRACT FROM AUTHOR]

Highlights: [•] The first chiral copper(II) binuclear complex of dehydroabityl Schiff base was synthesized. [•] The copper(II) complex shows stronger binding affinity to DNA compared with the ligand. [•] Our studies suggest that the binding mode between the complexes and DNA is intercalation. [•] The in vitro cytotoxicity of the compounds reflects their DNA binding strength order. [•] Our work provides a rationale for designing new potential anticancer drugs from natural product. [Copyright &y& Elsevier]

Two chiral copper(II) complexes [Cu(L)2Cl]Cl ( 1) and [Cu(L)2Br]Br ( 2) {L = N-[(pyridin-2-ylmethylene)imino]dehydroabietylamine} have been synthesized and fully characterized. The coordination geometry of the CuII ions in 1 and 2 can be described as an intermediate between square-pyramidal and trigonal-bipyramidal. DNA binding studies suggest that the complexes interact with salmon-sperm DNA through intercalation, and 2 exhibits a higher binding affinity. The new complexes were screened for their antibacterial and cytotoxic ability. They have similar cytotoxic activity and they represent the first rosin-derivative-based simple Schiff base complexes with strong anticancer potential. [ABSTRACT FROM AUTHOR]

Highlights: [•] Two new 2,2′-bipyridine-based binuclear Cu (II) complexes have been synthesized. [•] The binary complex shows stronger binding affinity to DNA. [•] The two complexes bind to DNA via intercalation. [•] Their in vitro cytotoxicity reflects their DNA binding strength order. [•] Thermodynamic parameters indicate that the binding reactions are hydrophobic. [Copyright &y& Elsevier]

Using the first principle method, we investigate the influence of Sr/Ti ratio on the atomic structure and dislocation behavior of Srn+1TiO3n+1 (Ruddlesden-Popper phase) and SrnTin+1O3n+2 (Magnéli phase). A linear lattice expansion versus the Sr/Ti ratio exhibits in the Ruddlesden-Popper and Magnéli phases. The Ruddlesden-Popper phase has lower formation energy and superior structural stability than the Magnéli phase. The two phases show different dislocation behaviors and it is found that a possibly preferred slip system (110) {110} emerges in the two phases, and the dislocations are more likely to dissociate into partial dislocations in Magnéli phases. [ABSTRACT FROM AUTHOR]

Seven undescribed tirucallane-type triterpenoids, kumunorquassins A ‒ E and kumuquassins K and L, along with nine known analogues, have been isolated from the leaves of Picrasma quassioides (D. Don) Benn. Their structures and absolute configurations were elucidated based on comprehensive spectroscopic analyses, single-crystal X-ray diffraction analysis and electronic circular dichroism (ECD). The absolute configuration of cornusalterin J was unequivocally determined by X-ray diffraction based on its p -bromobenzoate derivative. A brief approach was presented in our study, which could rapidly and conveniently determine the relative and absolute configurations of OCH 3 -23 of kumuquassin L and cornusalterins J, H and G depending on the chemical shift differences (Δ δ) of C-24 and C-25 and the chemical shifts of C-23, H-23 and H-24. In addition, the cytotoxicities of these compounds against two human tumour cell lines (HepG2 and Hep3B) were evaluated. [Display omitted] • Seven undescribed triterpenoids were isolated from the leaves of P. quassioides. • The structures were defined by NMR, ECD calculation and X-ray diffraction analysis. • An approach determining the configurations of 23-OCH 3 was proposed. • All compounds were evaluated for cytotoxicity against the HepG2 and Hep3B. [ABSTRACT FROM AUTHOR]

• Fifteen new germacranolide sesquiterpenes were targeted obtained from E. scaber by SMART. • Structures were determined by NMR, X-ray, modified Mosher's method, and calculate ECD. • The cytotoxicity of isolates was evaluated. • Isodeoxyelephantopin (18) can induce the apoptosis of hepatoma cells via mitochondrial dysfunction. Small molecule accurate recognition technology (SMART) is an emerging method for the rapid structural prediction of major constituents from crude extracts and fractions. In the present study, a targeted isolation of an Elephantopus scaber extract by SMART resulted in the obtention of 15 new (1 – 15) and five known germacranolide sesquiterpenes (16–20). Their structures were assigned by extensively analyzing HRESIMS, NMR, X-ray crystallographic analyses, modified Mosher's method results, and quantum chemical calculate electronic circular dichroism (ECD) spectra. All germacranolide sesquiterpenes were screened to determine their inhibitory effects with two hepatoma cell lines (HepG2 and Hep3B), and compounds 14 , 16 , 18 , 19 and 20 showed significant cytotoxic activities against the HepG2 (IC 50 , 3.3–9.9 μM) and Hep3B (IC 50 , 4.5–8.6 μM) cell lines. Further study suggested that 18 can induce the apoptosis of hepatoma cells via mitochondrial dysfunction. [ABSTRACT FROM AUTHOR]

Seven undescribed germacranolides, named as scabertopinolide A-G were obtained from whole herbs of Elephantopus scaber L. The determination of their structures was conducted via comprehensive spectroscopic analyses combined with experimental electronic circular dichroism (ECD) spectroscopic data and quantum mechanical ECD calculations. The absolute configuration of scabertopinolide A was determined by X-ray crystallography data analysis. The cytotoxicity of all compounds was evaluated against three human cancer cell lines HepG2, Hep3B (human hepatocellular carcinoma cell lines), and MCF-7 (human breast adenocarcinoma cell line). Scabertopinolide G exhibited the most significant cytotoxic activities against the three cancer cell lines with IC 50 values between 7.0 and 10.3 μ M. Furthermore, flow cytometry analysis has suggested that scabertopinolide G may cause death of cancer cells through apoptosis induction. Image 1 • Seven undescribed germacranolides were obtained from whole herbs of E. scaber. • Structures were determined by extensive spectroscopic analyses. • The cytotoxicity of seven germacranolides were evaluated. • Scabertopinolide G exhibited significant cytotoxicity activities. [ABSTRACT FROM AUTHOR]

Chromatographic purification of Elephantopus scaber led to 16 new germacrane-type sesquiterpene lactones (1 – 16), named elephantopinolide A-P, along with a known analogue (17). Their structures were confirmed by comprehensive spectroscopic analyses, single-crystal X-ray diffraction, and comparison between the experimental and calculated ECD spectra. Their hepatocellular inhibition activities against Hep3B and HepG2 cells were screened by MTT assay, and the structure-activity relationships were examined. The results revealed that 10 (IC 50 value of 2.83 μ M and 1.98 μ M) is more potent than sorafenib. The underlying mechanism study demonstrated that 10 could markedly induce apoptosis accompanied by increased ROS production and decreased mitochondrial membrane potential, resulting in the autophagy and G2/M phase cell arrest in Hep3B and HepG2 cells. Furthermore, signal pathways including MAPKs and AKT may play important roles in 10- induced hepatocellular carcinoma cells death. Image 1 • Sixteen new germacrane-type sesquiterpene lactones were isolated from Elephantopus scaber. • Elephantopinolide J (10) could markedly induce apoptosis accompanied by increased ROS production and decreased MMP. • MAPKs and AKT signal pathways may play important roles in Elephantopinolide J induced hepatocellular carcinoma cells death. • Elephantopinolide J had the most potent inhibition effect against Hep3B and HepG2 cells. [ABSTRACT FROM AUTHOR]

Seven undescribed terpenylated coumarins, named altissimacoumarin I–O, together with seven known compounds, altissimacoumarin C, altissimacoumarin E, altissimacoumarin G, altissimacoumarin H, puberulin, 7-(3-Methyl-2-butenyloxy)-6-methoxycoumarin and artelin were isolated from the root bark of Ailanthus altissima (Mill.) Swingle. Their structures were elucidated by comprehensive spectra data analysis, NMR calculation, DP4+ analysis and ACD/Structure Elucidator software simulation. The absolute configurations of altissimacoumarins K, L, M and N were determined by modified Mosher's method. All isolates were tested for their cytotoxic effect against two hepatoma carcinoma cell lines (HepG2, Hep3B). Altissimacoumarin C exhibited moderate cytotoxic effect against Hep3B cells, with IC 50 of 45.21 μ M. Image 1 • Seven previously undescribed terpenylated coumarins were isolated and identified. • NMR calculation, DP4+ analysis and ACD/Structure Elucidator were used for structure validation. • The absolute configurations of some isolates were determined by Mosher's method and NOESY experiment. • Structure revision of altissimacoumarin E is proposed. [ABSTRACT FROM AUTHOR]

Eight novel daphnane-type ditepenes, neogenkwanines A-H, are isolated along with seven known ones. [ABSTRACT FROM AUTHOR]