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61.
《Bioorganic & medicinal chemistry letters》2014,24(6):1466-1471
This communication discusses the discovery of novel reverse tricyclic pyridones as inhibitors of Janus kinase 2 (JAK2). By using a kinase cross screening approach coupled with molecular modeling, a unique inhibitor–water interaction was discovered to impart excellent broad kinase selectivity. Improvements in intrinsic potency were achieved by utilizing a rapid library approach, while targeted structural changes to lower lipophilicity led to improved rat pharmacokinetics. This multi-pronged approach led to the identification of 31, which demonstrated encouraging rat pharmacokinetics, in vivo potency, and excellent off-target kinase selectivity. 相似文献
62.
An objective, quantifiable index of structural biodiversity that could be rapidly obtained with reduced or no field effort is essential for the use of structure as universal ecological indicator for ecosystem management. Active remote sensing provides a rapid assessment tool to potentially guide land managers in highly dynamic and spatially complex landscapes. These landscapes are often dependent on frequent disturbance regimes and characterized by high endemism.We propose a modified Shannon–Wiener Index and modified Evenness Index as stand structural complexity indices for surrogates of ecosystem health. These structural indices are validated at Tall Timbers Research Station the site of one of the longest running fire ecology studies in southeastern U.S. This site is dominated by highly dynamic pine-grassland woodlands maintained with frequent fire. Once the dominant ecosystem in the Southeast, this woodland complex has been cleared for agriculture or converted to other cover types, and depends on a frequent (1- to 3-year fire return interval) low- to moderate-intensity fire regime to prevent succession to mixed hardwood forests and maintain understory species diversity. Structural evaluation of the impact of multiple disturbance regimes included height profiles and derived metrics for five different fire interval treatments; 1-year, 2-year, 3-year, mixed fire frequency (a combination of 2- and 4-year fire returns), and fire exclusion. The 3-dimensional spatial arrangement of structural elements was used to assess hardwood encroachment and changes in structural complexity. In agreement with other research, 3-year fire return interval was considered to be the best fire interval treatment for maintaining the pine-grassland woodlands, because canopy cover and vertical diversity indices were shown to be statistically higher in fire excluded and less frequently burned plots than in 1- and 2-year fire interval treatments. We developed a LiDAR-derived structural diversity index, LHDI, and propose that an ecosystem-specific threshold target for management intervention can be developed, based on significant shifts in structure and composition using this new index.Structural diversity indices can be valuable surrogates of ecosystem biodiversity, and ecosystem-specific target values can be developed as objective quantifiable goals for conservation and ecosystem integrity, particularly in remote areas. 相似文献
63.
Elia Pintus Silvia Sorbolini Andrea Albera Giustino Gaspa Corrado Dimauro Roberto Steri Gabriele Marras Nicolò P. P. Macciotta 《Animal genetics》2014,45(1):1-11
Selection is the major force affecting local levels of genetic variation in species. The availability of dense marker maps offers new opportunities for a detailed understanding of genetic diversity distribution across the animal genome. Over the last 50 years, cattle breeds have been subjected to intense artificial selection. Consequently, regions controlling traits of economic importance are expected to exhibit selection signatures. The fixation index (Fst) is an estimate of population differentiation, based on genetic polymorphism data, and it is calculated using the relationship between inbreeding and heterozygosity. In the present study, locally weighted scatterplot smoothing (LOWESS) regression and a control chart approach were used to investigate selection signatures in two cattle breeds with different production aptitudes (dairy and beef). Fst was calculated for 42 514 SNP marker loci distributed across the genome in 749 Italian Brown and 364 Piedmontese bulls. The statistical significance of Fst values was assessed using a control chart. The LOWESS technique was efficient in removing noise from the raw data and was able to highlight selection signatures in chromosomes known to harbour genes affecting dairy and beef traits. Examples include the peaks detected for BTA2 in the region where the myostatin gene is located and for BTA6 in the region harbouring the ABCG2 locus. Moreover, several loci not previously reported in cattle studies were detected. 相似文献
64.
Myhuong T. Nguyen Alan L. Chaffee Reinhard I. Boysen Dan V. Nicolau 《Molecular simulation》2016,42(4):257-269
This study describes a versatile computational method to determine the hydrophobicity of small peptides at the atomic level. Free energies of transfer for individual atoms in peptide structures were derived, utilising two specifically defined parameters: (i) the water-excluding distance to define the dynamic interface between a peptide solute and its surrounding solvent and (ii) the corresponding hydrophobicity index as a relative measure for water occlusion/repulsion. The method was tested on a range of small peptide models (Ac-X-NH2, G-X-G, Ac-WL-X-LL and Ac-GG-X-GG-NH2) and several derivatives of these structures, whereby X was any of the 20 most common amino acids that naturally occur in polypeptides or proteins. The advantage of this new method lies in its versatility, ease to implement and capability to provide information on the hydrophobicity characteristics at the atomic level. The approach also encapsulates the impact of factors that influence these properties, but which have hitherto been difficult to accurately quantify, e.g. steric hindrance or proximity effects due to nearby polarised atoms. The method is not conditional on the knowledge of hydrophobicity parameters from the literature and does not require a sophisticated computer software/hardware to enable the atomic solvent-accessible surface areas or other hydrophobicity parameters to be de novo obtained. 相似文献
65.
Reuben S.E. Young Andrew P. Bowman Kaylyn D. Tousignant Berwyck L.J. Poad Jennifer H. Gunter Lisa K. Philp Colleen C. Nelson Shane R. Ellis Ron M.A. Heeren Martin C. Sadowski Stephen J. Blanksby 《Journal of lipid research》2022,63(6):100223
The cellular energy and biomass demands of cancer drive a complex dynamic between uptake of extracellular FAs and their de novo synthesis. Given that oxidation of de novo synthesized FAs for energy would result in net-energy loss, there is an implication that FAs from these two sources must have distinct metabolic fates; however, hitherto, all FAs have been considered part of a common pool. To probe potential metabolic partitioning of cellular FAs, cancer cells were supplemented with stable isotope-labeled FAs. Structural analysis of the resulting glycerophospholipids revealed that labeled FAs from uptake were largely incorporated to canonical (sn-) positions on the glycerol backbone. Surprisingly, labeled FA uptake also disrupted canonical isomer patterns of the unlabeled lipidome and induced repartitioning of n-3 and n-6 PUFAs into glycerophospholipid classes. These structural changes support the existence of differences in the metabolic fates of FAs derived from uptake or de novo sources and demonstrate unique signaling and remodeling behaviors usually hidden from conventional lipidomics. 相似文献
66.
唐古拉山以北地区生态资产核算 总被引:3,自引:2,他引:1
生态系统核算可以为生态文明建设提供定量性的决策依据,包括生态资产核算和生态系统服务核算两个方面,生态资产指生产和提供生态系统产品和服务的生态系统。以唐古拉山以北地区(简称唐北地区)为研究对象对其生态资产进行了核算,建立生态资产实物量及变化核算表、损益表,提出了生态资产综合指数。2015年唐北地区草地生态资产面积为21800.01 km~2,其中良级比重最高达68.46%,湿地生态资产面积为4763.01 km~2,其中优级比例最高为59.72%,野生动植物共有138种,其中重点保护动物10种。2015年唐北地区生态资产综合指数为79.77,比2000年降低了3.60%。2000—2015年,湿地、草地生态资产分别增加了164.23、2.82 km~2。2000—2015年湿地生态资产存量增加202.90 km~2,其中由湿地恢复导致面积增加最大为200.50 km~2,存量减少38.63 km~2,其中湿地退化是导致存量减少的主要原因,面积为36.23 km~2,草地存量增加了39.18 km~2,主要是由于湿地退化导致的草地扩张,存量减少36.26 km~2,主要由湿地恢复和荒漠化引起。研究中不同生态资产质量等级的核算以及生态资产综合指数的提出利于生态资产的全面核算和比较,对于建立离任责任制、生态文明建设意义重大。 相似文献
67.
Jun-Mo Nam 《Biometrical journal. Biometrische Zeitschrift》1995,37(3):375-379
The interval estimation of the ratio of two binomial proportions based on the score statistic is superior over other methods. Iterative algorithms for calculating the approximate confidence interval have been provided by, e.g., KOOPMAN (1984, Biometrics 40:513–517) and GART and NAM (1988a, Biometrics 44:323–338). This note presents the analytical solutions for upper and lower confidence limits in a closed form and gives examples for numerical illustration. The non-iterative method is generally more desirable than the iterative method. 相似文献
68.
《Current biology : CB》2020,30(6):949-961.e7
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69.
Zafar Iqbal Khan Kafeel Ahmad Muhammad Ashraf Rukhsana Parveen Zahara Bibi Irfan Mustafa 《人类与生态风险评估》2016,22(1):86-98
The present research was conducted in district Jhang, Pakistan, to evaluate the concentration of metals/metalloids in soil and pumpkin (Cucurbita maxima) irrigated with domestic wastewater. Data revealed that the levels of metals and metalloids in soil samples from two different sites were below the safe limits except Cd, whereas, in the vegetable, the concentrations of As, Se, Ni, Mo, Pb, Mn, and Cu were above the safe limits. The levels of 12 metals and metalloids in the soil were ranged between 0.14 to 22.76 mg/kg at site-I and 0.16 to 22.13 mg/kg at site-II. The levels of these metals in the vegetable were found 0.35 to 61.13 mg/kg at site-I and 0.31 to 53.63 mg/kg at site-II. The transfer factor at both sites was highest for As and Co. The pollution load index recorded for Se, Cu, Cd, Mo, Pb, and Co was greater than 1. The daily intake of As, Mn, and Mo was above the oral reference dose, which reflects that the intake of pumpkin is not safe for the inhabitants of the selected sites. The control measures should be taken to phytoextract heavy metals and metalloids from polluted sites so as to reduce the health risks. 相似文献