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1.
A novel approach was developed to estimate phytoplankton biomass in eutrophic turbid lakes, using MODIS bands designed for land and atmospheric studies. The Baseline Normalized Difference Bloom Index (BNDBI) uses the difference of remote-sensing reflectance (Rrs, sr−1) at 555 nm (band 4) and 645 nm (band 1) after baseline correction using bands at 469 nm and 859 nm: (Rrs′(555)  Rrs′(645))/(Rrs′(555) + Rrs′(645)). BNDBI takes advantage of the Chl-a’s absorption minimum near 572 nm and absorption maximum near 667 nm. Using data from Lake Chaohu, the index showed a strong relationship with Chl-a concentrations in conditions that would normally saturate more sensitive ocean-color sensors. Extensive field measurements were used to calibrate and validate the algorithm with unbiased root-mean-square-error (URMSE) of 47.9% when compared to in situ Rrs data. A reduced sensitivity to atmospheric effects was accomplished by using a baseline correction approach, anchored at 469 nm and 859 nm to correct the radiances at 555 nm and 645 nm. Radiative transfer simulations showed that the algorithm can be applied directly to MODIS Rayleigh-corrected reflectance (Rrc) after adjusting algorithm coefficients (URMSE uncertainty of 56.4% for MODIS Rrc data) for Chl-a concentrations <1000 μg L−1. Comparative analyses showed that the index was resistant to changes in turbidity and organic matter concentrations. Theoretical simulations, image comparisons and spectral analyses demonstrated that the index was robust in a range of complex atmospheric and surface conditions, with different aerosol types, optical thickness (τa555), solar/viewing geometry, sun glint and thin clouds. A comparison with other MODIS and MERIS Chl-a algorithms for turbid waters showed that BNDBI provided consistent results with the advantage of using MODIS wavebands that remain unsaturated in high turbidity conditions. The BNDBI opens new possibilities to explore bio-optical dynamics in turbid eutrophic lakes using data from a range of satellite sources.  相似文献   

2.
The bimetallic [M1M2(tren)2(CAn?)]m+ series, where M = GaIII or CrIII and CA is the chloranilate ligand which can take on diamagnetic (CAcat,cat)4? or paramagnetic (CAsq,cat)3? forms, comprises an electronically diverse series of compounds ranging from the closed-shell [Ga2(tren)2(CAcat,cat)]2+ to the S = 5/2 ground state of [Cr2(tren)2(CAsq,cat)]3+. This report deals with the interpretation of the EPR and ENDOR spectra of [Ga2(tren)2(CAsq,cat)](BPh4)2(BF4) (2) and the related derivative [Ga2(tren)2(DHBQ)](BPh4)2(BF4) (2a) (where DHBQ is the fully deprotonated trianionic form of 2,5-dihydroxy-1,4-benzoquinone) in an effort to further characterize the electronic structure of this radical species. The X-band (~9.5 GHz) EPR spectrum of complex 2 acquired in a butyronitrile/propionitrile glass at 4 K reveals a rhombic g-tensor with gxx = 2.0100, gyy = 2.0097, and gzz = 2.0060 with hyperfine interactions due to spin delocalization onto the two Ga nuclei (axx = 4.902 G, ayy = 4.124 G, azz = 3.167 G); the origin of the hyperfine coupling was confirmed by analysis of the room temperature spectra of complexes 2 and 2a. The low-temperature spectrum of complex 2 also indicates the presence of a triplet electronic state characterized by a g-value of 2.009 and axial zero-field splitting of D = 150 G (0.012 cm?1) as determined from measurements carried out at both X- and W-band (~95 GHz) frequencies. This triplet state is believed to arise due to a weak intermolecular Heisenberg exchange interaction between two aggregating complexes. ENDOR measurements on complex 2a at 20 K allowed for a determination of the magnitude of hyperfine coupling to the protons associated with the radical bridge as well as providing a rare example of an ENDOR signal arising from coupling to a gallium nucleus. Finally, these results were combined with literature data on the free semiquinone form of the bridging ligand in order to assess the extent to which density functional theory can predict unpaired spin density distribution in a complex molecule of this type. Although differences between theory and experiment were noted, DFT was able to provide a reasonably accurate picture of the electronic structure of this system as well as provide insight into the spin polarization mechanism(s) responsible for the observed hyperfine interactions.  相似文献   

3.
Highly potent poly(ADP-ribose)polymerase-1 (PARP-1) inhibitors, including 9-hydroxy-1,2-dihydro-4H-thiopyrano[3,4-c]quinolin-5(6H)-one derivatives with a non-aromatic A-ring, were synthesized. Among the derivatives, 12a showed low nanomolar enzyme and cellular activity (IC50 = 42 nM, ED50 = 220 nM) with good water solubility. Further, 12a exhibited microsomal stability in vitro and brain permeability in vivo.  相似文献   

4.
Herein we describe the synthesis of novel tricyclic analogues issued from the rigidification of the methoxy group of the benzofuranic analogue of melatonin as MT1 and MT2 ligands. Most of the synthesized compounds displayed high binding affinities at MT1 and MT2 receptors subtypes. Compound 6b (MT1, Ki = 0.07 nM; MT2, Ki = 0.08 nM) exhibited with the vinyl 6c and allyl 6d the most interesting derivatives of this series. Functional activity of these compounds showed full agonist activity with EC50 in the nanomolar range. Compounds 6a (EC50 = 0.8 nM and Emax = 98%) and 6b (EC50 = 0.2 nM and Emax = 121%) exhibited good pharmacological profiles.  相似文献   

5.
New potent glycogen synthase kinase-3 (GSK-3) inhibitors, 8-amino-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one derivatives, were designed by modeling, synthesized and evaluated in vitro. Compound 17c showed good potency in enzyme and cell-based assays (IC50 = 111 nM, EC50 = 1.78 μM). Moreover, it has demonstrated desirable water solubility, PK profile, and moderate brain penetration.  相似文献   

6.
The purpose of the present work was to estimate the parameter ‘a’ describing the generalised equivalent uniform dose (gEUD) for tumours and its dependence on radiobiological parameters. The consequences of uncertainties in a on the gEUD were also studied. An estimate of a was found by requiring that, for a given target dose distribution, the mechanistic EUD (based on radiobiological linear quadratic modelling) equals gEUD. The estimate of a was found to depend on the dose distribution, and decreased with factors that increase the slope of the cell survival curve (i.e. decreasing α/β values and increasing α values). Furthermore, the parameter a was estimated for 35 prostate cancer IMRT plans of varying dose distributions, for two sets of previously published radiobiological parameters: (1) α = 0.15 Gy−1 and α/β = 3 Gy, and (2) α = 0.26 Gy−1 and α/β = 10 Gy. The estimated values of a ranged from −25.6 to −22.4 for all combinations of dose distributions and parameter sets. Uncertainties in a were found to give only small uncertainties in gEUD. Although the current work shows limitations of the gEUD model for tumours, gEUD may still be preferable for biological treatment plan optimization, evaluation and reporting.  相似文献   

7.
《Inorganica chimica acta》2006,359(11):3549-3556
A series of cationic trispyrazolylmethane complexes of the general form [TmRM(CH3CN)3]2+ (Tm = tris(pyrazolyl)methane, 1, R = 3,5-Me2, M = Fe(II); 2, R = 3-Ph, M = Fe(II); 3, R = 3,5-Me2, M = Co(II); 4, R = 3-Ph, M = Co(II)) with ‘piano-stool’ structures was prepared by the reaction of the N3tripodal ligands (TmR)with [(CH3CN)6M](BF4)2 in a 1:1 stoichiometric ratio. Magnetic susceptibility measurements indicate that all four complexes with BF4 counter anions are paramagnetic, high-spin systems in the solid state with μeff at high temperatures of 5.2 (1, S = 2), 5.4 (2, S = 2), 4.9 (3, S = 3/2) and 4.6 (4, S = 3/2) BM, respectively. Comparisons of bond lengths from the metal centre to the TmR nitrogen donors, and from the metal centre to the acetonitrile nitrogen donors indicate that the neutral tripodal ligands appear to be more weakly coordinated to the metal centre than are the acetonitrile ligands. Reactions of these tripodal complexes with bidentate phosphine ligands, such as 1,2-diphosphinoethane or 1,2-bis(diallylphosphino)ethane leads to displacement of the tripodal ligand, or to the formation of more thermally stable bis-ligand complexes M(TmR)2 (R = 3,5-dimethyl).  相似文献   

8.
2-Pyrazolins 14a–l and pyrazoles 15a–l were designed as celecoxib analogs for the evaluation of their in vitro COX-1/COX-2 inhibitory activity and the in vivo anti-inflammatory activity. Compounds 14i, 15a, 15d and 15f were the most COX-2 selective derivatives (S.I. = 5.93, 6.08, 5.03 and 5.27 respectively) while the pyrazoline derivatives 14g and 14i exhibited the highest AI activity (ED50 = 190.5 and 160.1 μmol/kg po, respectively).  相似文献   

9.
A new group of hybrid nitric oxide (NO) releasing anti-inflammatory (AI) coxib prodrugs (NO-coxibs) wherein the para-tolyl moiety present in celecoxib was replaced by a N-(4-nitrooxybutyl)piperidyl 15ab, or N-(4-nitrooxybutyl)-1,2,3,6-tetrahydropyridyl 17ab, NO-donor moiety was synthesized. All compounds released a low amount of NO upon incubation with phosphate buffered saline (PBS) at pH 7.4 (2.4–5.8% range). In comparison, the percentage NO released was higher (3.1–8.4% range) when these nitrate prodrugs were incubated in the presence of l-cysteine. In vitro COX-1/COX-2 isozyme inhibition studies showed this group of compounds are moderately more potent, and hence selective, inhibitors of the COX-2 relative to the COX-1 enzyme. AI structure–activity relationship data acquired showed that compounds having a MeSO2 COX-2 pharmacophore exhibited superior AI activity compared to analogs having a H2NSO2 substituent. Compounds having a MeSO2 COX-2 pharmacophore in conjunction with a N-(4-nitrooxybutyl)piperidyl (ED50 = 132.4 mg/kg po), or a N-(4-nitrooxybutyl)-1,2,3,6-tetrahydropyridyl (ED50 = 118.4 mg/kg po), moiety exhibited an AI potency profile that is similar to aspirin (ED50 = 128.7 mg/kg po) but lower than ibuprofen (ED50 = 67.4 mg/kg po).  相似文献   

10.
Low-molecular-mass trypsin inhibitor (clTI-1; chicken liver Trypsin Inhibitor-1) was purified from chicken liver by extraction with perchloric acid, ammonium sulfate precipitation, a combination of ethanol-acetone fractionation followed by gel filtration, ion-exchange chromatography and RP-HPLC on a C18 column. The inhibitor occurs in two isoforms with molecular masses of 5938.56 and 6026.29 Da (determined by MALDI TOFF mass spectrometry). The complete amino acid sequences of both isoforms were determined (UniProtKB/Swiss-Prot P85000; ISK1L_CHICK). The inhibitor shows a high homology to Kazal-type family inhibitors, especially to trypsin/acrosin inhibitors and pancreatic secretory trypsin inhibitors. clTI-1 inhibits both bovine and porcine trypsin (Ka = 1.1 × 109 M?1 and 2.5 × 109 M?1, respectively). Significant differences were shown in the inhibition of the anionic and cationic forms of chicken trypsin (Ka = 4.5 × 108 M?1 and 1.2 × 1010 M?1). Weak interaction with human plasmin (Ka = 1.2 × 107 M?1) was also revealed.  相似文献   

11.
PurposeAngiogenesis, a multistep process that results in new blood vessel formation from preexisting vasculature is essential for both the growth of solid tumour and for metastasis. Stimulation of vascular endothelial growth factor receptor (VEGFR), a transmembrane glycoprotein, results in mitogenesis. Within this family of receptors, VEGFR 2/kinase-insert-domain containing receptor appears to be principally upregulated during tumorigenesis. The aim of this study was to determine the expression of VEGFR-2/kinase-insert-domain containing receptor (KDR) and its correlation with angiotensin receptor type 1 (AT1-R) and clinical factors in endometrial carcinoma.MethodsThe expression of KDR and AT1-R was studied in endometrial carcinoma and normal endometrium by Real-time RT-PCR and Western blot analysis in 136 samples. The expression profile was correlated with the clinicopathological characteristics of endometrial adenocarcinoma.ResultsWe noted a significant correlation between the expression of KDR and AT1-R in tumour grade G1, G2 and G3 (Rs = 0.50; p = 0.002, Rs = 0.69; p = 0.0001, Rs = 0.52; p = 0.005, respectively). In stage I and stage II carcinoma, a significant correlation was also found between the expression of KDR and AT1-R (Rs = 0.70, p = 0.0001, Rs = 0.67; p = 0.001, respectively). Moreover significant correlation was observed between both KDR and AT1-R in tissue with different myometrial invasion (Rs = 0.54, p = 0.0001, Rs = 0.68; p = 0.0001; respectively for tumours with invasion into the inner half and invasion into the outer half).ConclusionsBasing on received correlation between AT1-R and KDR expression and previous results we speculate that angiotensin through AT1-R modulates KDR expression and thus have influence on local VEGF level. However, further studies are required to clarify the biological interaction between KDR, AT1-R and other hormonal regulators in endometrial carcinoma.  相似文献   

12.
Arthrospira (Spirulina) platensis (Nordstedt) Gomont was autotrophically cultivated for biomass production in repeated fed-batch process using urea as nitrogen source, with the aim of making large-scale production easier, increasing cell productivity and then reducing the production costs. It was investigated the influence of the ratio of renewed volume to total volume (R), the urea feeding time (tf) and the number of successive repeated fed-batch cycles on the maximum cell concentration (Xm), cell productivity (Px), nitrogen-to-cell conversion yield (Yx/n), maximum specific growth rate (μm) and protein content of dry biomass. The experimental results demonstrated that R = 0.80 and tf = 6 d were the best cultivation conditions, being able to simultaneously ensure, throughout the three fed-batch cycles, the highest average values of three of the five responses (Xm = 2101 ± 113 mg L?1, Px = 219 ± 13 mg L?1 d?1 and Yx/n = 10.3 ± 0.8 g g?1).  相似文献   

13.
Novel 3-(arylsulfonyl)-1-(azacyclyl)-1H-indoles 6 were synthesized as potential 5-HT6 receptor ligands, based on constraining a basic side chain as either a piperidine or a pyrrolidine. Many of these compounds had good 5-HT6 binding affinity with Ki values <10 nM. Depending on substitution, both agonists (e.g., 6o: EC50 = 60 nM, Emax = 70%) and antagonists (6y: IC50 = 17 nM, Imax = 86%) were identified in a 5-HT6 adenylyl cyclase assay.  相似文献   

14.
The precursors bis[N-(alkyl)benzimidazoliumylmethyl]durene halide (1a: alkyl = C2H5, halide = Br?; 1b: alkyl = n-C4H9, halide = Cl?; durene = 1,2,4,5-tetramethylbenzene) and their two new NHC silver(I) complexes [Durene(CH2BimyEtAgBr)2] (2a) and [Durene(CH2BimynBuAgCl)2] (2b) (Bimy = benzimidazol-2-ylidene) have been prepared and characterized. In the crystal structures of 2a and 2b the aromatic π–π stacking interactions are observed.  相似文献   

15.
Secoisolariciresinol diglucosides (SDGs) (S,S)-SDG-1 (major isomer in flaxseed) and (R,R)-SDG-2 (minor isomer in flaxseed) were synthesized from vanillin via secoisolariciresinol (6) and glucosyl donor 7 through a concise route that involved chromatographic separation of diastereomeric diglucoside derivatives (S,S)-8 and (R,R)-9. Synthetic (S,S)-SDG-1 and (R,R)-SDG-2 exhibited potent antioxidant properties (EC50 = 292.17 ± 27.71 μM and 331.94 ± 21.21 μM, respectively), which compared well with that of natural (S,S)-SDG-1 (EC50 = 275.24 ± 13.15 μM). These values are significantly lower than those of ascorbic acid (EC50 = 1129.32 ± 88.79 μM) and α-tocopherol (EC50 = 944.62 ± 148.00 μM). Compounds (S,S)-SDG-1 and (R,R)-SDG-2 also demonstrated powerful scavenging activities against hydroxyl [natural (S,S)-SDG-1: 3.68 ± 0.27; synthetic (S,S)-SDG-1: 2.09 ± 0.16; synthetic (R,R)-SDG-2: 1.96 ± 0.27], peroxyl [natural (S,S)-SDG-1: 2.55 ± 0.11; synthetic (S,S)-SDG-1: 2.20 ± 0.10; synthetic (R,R)-SDG-2: 3.03 ± 0.04] and DPPH [natural (S,S)-SDG-1: EC50 = 83.94 ± 2.80 μM; synthetic (S,S)-SDG-1: EC50 = 157.54 ± 21.30 μM; synthetic (R,R)-SDG-2: EC50 = 123.63 ± 8.67 μM] radicals. These results confirm previous studies with naturally occurring (S,S)-SDG-1 and establish both (S,S)-SDG-1 and (R,R)-SDG-2 as potent antioxidants and free radical scavengers for potential in vivo use.  相似文献   

16.
《Inorganica chimica acta》2006,359(4):1275-1281
Two new complexes of composition [Cu(2-NO2bz)2(3-pyme)2(H2O)2] (1) and/or [Cu{3,5-(NO2)2bz}2(3-pyme)2] (2) (3-pyme = 3-pyridylmethanol, ronicol or 3-pyridylcarbinol, 2-NO2bz = 2-nitrobenzoate and 3,5-(NO2)2bz = 3,5-dinitrobenzoate) have been prepared and studied by elemental analysis, electronic, infrared and EPR spectroscopy, magnetic susceptibility measurements and the structure of both complexes has been solved. Complex (1) shows an unusual molecular type of structure consisting of the [Cu(2-NO2bz)2(3-pyme)2(H2O)2] molecules held together by hydrogen bonds and van der Waals interactions. Complex (2) exhibits a polymeric chain-like structure [Cu{3,5-(NO2)2bz}2(3-pyme)2]n with copper atoms doubly bridged by two 3-pyridylmethanol molecules and the polymeric molecules are held together by van der Waals interactions. Complex (1) exhibits a magnetic moment μeff = 1.84 B.M. at 300 K that remains nearly constant within the temperature region (5–300 K). Further cooling results in lowering the magnetic moment to μeff = 1.82 B.M. at 1.8 K. The magnetic susceptibility temperature dependence obeys Curie–Weiss law with Curie constant of 0.423 cm3 K mol−1 and with Weiss constant of −0.06 K. The magnetic moment of (2) exhibits a small increase with a decrease in the temperature (μeff = 1.80 B.M. at 300 K and μeff = 1.85 B.M. at 1.8 K) with Curie constant of 0.409 cm3 K mol−1 and with Weiss constant of +1.1 K, which can indicate a very weak ferromagnetic interaction between the copper atoms within the chain. Applying the molecular field model resulted in obtaining zJ′ values −0.08 cm−1 for complex (1), and −0.07 cm−1 for complex (2), respectively, that could characterize intermolecular and interchain interactions transmitted through π–π stacking.  相似文献   

17.
The alkaloid rich extracts from an acid/base extraction of bulb material of Haemanthus coccineus L., H. montanus Baker and H. sanguineus Jacq. revealed that two montanine type Amaryllidaceae alkaloids, montanine (1) and coccinine (2) were the major alkaloid constituents. Together these two alkaloids constituted 88, 91 and 98% of the total alkaloid extract from each species respectively. GC–MS analysis revealed that H. coccineus and H. sanguineus had a relative abundance of coccinine (74 and 91% respectively) to montanine (14 and 7% respectively); whereas H. montanus had 20% coccinine and 71% montanine. The three extracts and two isolated alkaloids were evaluated for binding to the serotonin transporter protein (SERT) in vitro. Affinity to SERT was highest in H. coccineus (IC50 = 2.0 ± 1.1 μg/ml) followed by H. montanus (IC50 = 6.8 ± 1.0 μg/ml) and H. sanguineus (IC50 = 28.7 ± 1.1 μg/ml). Montanine (IC50 = 121.3 ± 3.6 μM or 36.56 ± 1.14 μg/ml; Ki = 66.01 μM) was more active than coccinine (IC50 = 196.3 ± 3.8 μM or 59.15 ± 1.08 μg/ml; Ki = 106.8 μM), both of which were less active than the total alkaloid extracts of each species investigated. The possible synergistic effects of two coccinine/montanine mixtures (80:20 and 20:80) were investigated, however the mixtures gave similar activities as the pure compounds and did not show any increase in activity or activity similar to the total alkaloid extracts. Thus the considerably higher activity observed in the total alkaloid extracts is not correlated to the relative proportions of coccinine and montanine in the extracts and thus are likely to be due to more potent unidentified minor constituents. Both alkaloids exhibited low binding affinity to P-glycoprotein (P-gp) as demonstrated by low inhibition of calcein-AM efflux in the MDCK-MDR1 cell line. This indicates that P-gp efflux will not be limiting for blood–brain-barrier passage of the alkaloids.  相似文献   

18.
Gulf Menhaden (Brevoortia patronus) are a species of commercial and ecological importance in the northern Gulf of Mexico, provisioning the second largest fishery by weight, in the United States, and providing critical ecosystem services in the coastal region. The recruitment and productivity dynamics of the stock are influenced by a suite of environmental factors but an understanding of the factors that determine individual variation in oil content (an indicator of an individual’s commercial value to the fishery and its dietary value to predators) has not been well described. In this work I describe the temporal dynamics of oil content and determine the demographic characteristics that provide predictive power to describe annual contrasts. I relate the predicted patterns in oil yield to a suite of seasonal environmental data series including: the magnitude of spring Mississippi River discharge, spring wind vectors, and the preceding winter El Nino conditions. Two uncorrelated (r = 0.06, p = 0.81) population-level predictor variables were identified that have explanatory power to describe temporal patterns in oil content (L kg−1); a weight-at-length power function parameter (a) and the von Bertalanffy asymptotic fork length (L, mm FL): L kg−1 =  0.158  0.026*a  0.00163*L (p < 0.05, R2 = 0.42). Analysis of the impacts of environmental variables on the oil content of Gulf Menhaden was evaluated comprehensively in a Bayesian framework by transforming the observed oil content information from two sources to a common scale. Parameters relating oil content to spring Mississippi River discharge and the preceding winter (December–February) El Nino Southern Oscillation index resulted in sample distributions from the posterior where zero was outside the 95% credible interval. This work contributes to the understanding of Gulf Menhaden as a prey species in the Gulf of Mexico and indicates that the value of the species to both the fishery and predators exhibits relatively large inter-annual variability controlled, in part, by seasonal environmental conditions.  相似文献   

19.
Novel trinuclear Ni(II) complex [Ni3(pmdien)3(btc)(H2O)3](ClO4)3 · 4H2O, 1 where pmdien = N,N,N′,N′,N″-pentamethyldiethylenetriamine, H3btc = 1,3,5-benzenetricarboxylic (trimesic) acid, has been prepared and structurally characterized. Three nickel atoms are bridged by btc trianion and their coordination sphere is completed by three N atoms of pmdien and O atom of the water molecule. The three nickel(II) magnetic centers are equivalent and their coordination spheres are completed to deformed octahedrons. Magnetic susceptibility was measured over the temperature range 1.8–300 K and zJ = ?0.19 cm?1, D = 3.79 cm?1, g = 2.18 parameters were calculated.  相似文献   

20.
Thermal decomposition studies of bis(1-alkenyl)platinum(II) complexes of the type Pt(L2)R2 (where L = PPh3 or L2 = dppe or dppp; R = 1-alkenyl) are reported. The results revealed interesting organic product distributions depending on the length of the alkenyl chains, the nature of the supporting ligands and the metal centers. It is believed that the major decomposition pathways for the title complexes involve β-hydride elimination and/or reductive elimination as well as alkene isomerization. Mechanisms for the major and minor decomposition pathways are proposed. The amount of isomeric products obtained, i.e., 2-alkenes and 1,(n ? 2)-diene, increases with increasing chain length.  相似文献   

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