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Insight into the Structural Requirements of Protoporphyrino- gen Oxidase Inhibitors： Molecular Docking and CoMFA of Di- phenyl Ether, Isoxazole Phenyl, and Pyrazole Phenyl Ether

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Chinese j.urnal of Chemistry 2013年第9期31卷 1153-1158页

作者： Shenggang Yang Gefei Hao Franck E Dayan patrick j. tranel Guangfu Yang Key Laboratory of Pesticide & Chemical Biology Ministry of Education College of Chemistry Central China Normal University Wuhan Hubei 430079 China USDA/ARS Natural Products Utilization Research Unit P.O. Box 8048 University MS 38677 USA Department of Crop Sciences University of lllinois Urbana IL 61801 USA

Protoporphyrinogen oxidase （PPO, EC 1.***.3.4） is one of the most significant targets for a large family of in- hibitors that may be used as herbicide, bactericide, fungicide, or photosensitizing activator to treat cancer through photodynamic therapy （PDT）. Molecular docking and CoMFA were combined in a multistep framework with the ultimate goal of identifying important factor contributing to the activity of PPO inhibitors. As a continuation of the previous research work on the development of new PPO inhibitors, the bioassay results indicated that good PPO in- hibitors were discovered in all of the three chemical series with ICs0 values ranging from 0.010 to 0.061 pmol·L ^-1. Using the crystal structure of tobacco mitochondrial PPO （mtPPO） as template, all the compounds were docked into the enzyme active site. The docking pose of each compound was subsequently used in a receptor-based alignment, leading to the development of a significant CoMFA model with r^2 value of 0.98 and q^2 （cross validation r^2） value of 0.63. This novel multistep framework gives insight into the and it can be extended to other classes of PPO inhibitors. In be particularly applicable in virtual screening procedures. structural characteristics for the binding of inhibitors, addition, the simplicity of the proposed approach may

关键词： protoporphyrinogen oxidase Quantitative Structure-Activity Relationship (QSAR) Comparative Mo-lecular Field Analysis (CoMFA) diphenyl ether isoxazole phenyl pyrazole phenyl ether

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The EPSPS Pro106Ser substitution solely accounts for glyphosate resistance in a goosegrass(Eleusine indica) population from Tennessee, United States

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j.urnal of Integrative Agriculture 2016年第6期15卷 1304-1312页

作者： j.nel L Huffman Chance W Riggins Lawrence E Steckel patrick j.tranel Department of Crop Sciences University of Illinois Urbana IL 61801 USA Department of Plant Sciences University of Tennessee Jackson TN 38301 USA

Previous studies have documented the occurrence of glyphosate-resistant （GR） goosegrass （Eleusine indica （L.） Gaertn.） and, in at least some cases, resistance is due to an altered target site. Research was performed to determine if an altered target site was responsible for GR in a Tennessee, United States goosegrass population （TennGR）. DNA sequencing revealed a mutation in TennGR plants conferring the Prol06Ser 5-enolpyruvylshikimate-3-phosphate synthase （EPSPS） substitution previously identified in other GR populations. F2 populations were derived from TennGR plants crossed with plants from a glyphosate-susceptible population （TennGS） and analyzed for their response to glyphosate and genotyped at the EPSPS locus. Plants from the F2 populations segregated 1：2：1 sensitive：intermediate：resistant in response to a selec- tive dose of glyphosate, and these responses co-segregated with the EPSPS genotypes （PP106, PS106, and SS106）. To separately investigate the effect of the Prol06Ser substitution on GR, glyphosate dose-response curves and 50% effective dose （EDso） values were compared among the three genotypes and the two parental populations. The SS106 genotype was 3.4-fold resistant relative to the PP106 genotype, identical to the resistance level obtained when comparing the resistant and susceptible parental populations. We conclude that the mutation conferring a Prol06Ser EPSPS mutation is solely responsible for GR in the TennGR goosegrass population.

关键词： herbicide resistance monogenic trait glyphosate PCR amplification of specific alleles (PASA) EPSPS target-site mutation

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On the Dirichlet form of three-dimensional Brownian motion conditioned to hit the origin

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Science China Mathematics 2019年第8期62卷 1477-1492页

作者： patrick j. Fitzsimmons Liping Li Department of Mathematics University of California at San Diego San Diego CA 92093-0112 USA RCSDS HCMS Academy of Mathematics and Systems Science Chinese Academy of Sciences Beijing 100190 China

Our concern in this paper is the energy form induced by an eigenfunction of a self-adj.int extension of the restriction of the Laplace operator to C_c^∞(R^3\j.).We will prove that this energy form is a regular Dirichlet form with core C_c^∞(R^3).The associated diffusion X behaves like a 3-dimensional Brownian motion with a mild radial drift when far from 0,subj.ct to an ever-stronger push toward 0 near that *** particular,j.is not a polar set with respect to *** diffusion X is rotation invariant,and admits a skew-product representation before hittingj.:its radial part is a diffusion on(0,∞)and its angular part is a time-changed Brownian motion on the sphere S^*** radial part of X is a"reflected"extension of the radial part of X^0(the part process of X before hittingj.).Moreover,X is the unique reflecting extension of X^0,but X is not a semi-martingale.

关键词： Dirichlet form reflected extension rotationally invariant process Fukushima’s decomposition

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Geoparks： Celebrating Earth heritage, sustaining Local communities

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Episodes 2005年第4期28卷 274-278页

作者： patrick j. Mc Keever Nickolas Zouros Geological Survey of Northern Ireland Colby House Stranmillis Court Belfast BT9 5BF Ireland. Department of Geography University of the Aegean University Hill Mytilene GR-81100 Hellenic Republic.

For too long Earth Science has been the poor relative to Natural Sciences when it comes to conservation, preservation and public promotion. Today, however, in 25 territories across Europe, a combination of Earth Scientists, economists, professional marketers and local people are working together to promote the geological heritage of their areas. These European Geoparks not only advance the protection of their geological heritage but they also use it, in a truly sustainable way, to promote the economic well-being of the people who live there. With the full endorsement of UNESCO, this concept of geoparks is spreading to other parts of the world and is rapidly developing into a global concept. This article looks in detail at the geopark idea -- exactly what geoparks are, how they function, and what benefits they can bring both to geology and to the public.

关键词：地质公园地貌地质条件生态系统地质多样性

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A remark on Kac's scattering length formula

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Science China Mathematics 2013年第2期56卷 331-338页

作者： FITZSIMMONS patrick j. HE Ping YING j.anGang Department of Mathematics University of California at San Diego Department of Applied Mathematics Shanghai University of Finance and Economics School of Mathematics Fudan University

The scattering length formula was formulated and proved in special cases by Kac in 1974 and *** was discussed by a series of authors,including Taylor 1976,Tamura 1992 and Takahashi *** formula was proved by Takeda 2010 in symmetric case and by He 2011 assuming weak *** this article,we shall use the powerful tool of Kutznetsov measures to prove this formula in the general framework of right Markov processes without further assumptions.

关键词： scattering length Kuznetsov measure capacity

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Early Cretaceous Tectonics and Evolution of the Tibetan Plateau

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Acta Geologica Sinica(English Edition) 2016年第3期90卷 847-857页

作者： WU Zhenhan ZHAO Zhen patrick j. BAROSH YE Peisheng Chinese Academy of Geological Sciences Beijing 100037 China P.j. Barosh andAssociates 103 Aaron Ave. Bristol RI 02809 USA Institute of Geomechanies Chinese Academy of Geological Sciences Beijing 100081 China

Selected geological data on Early Cretaceous strata, structures, magmatic plutons and volcanic rocks from the Kunlun to Himalaya Mountains reveal a new view of the Early Cretaceous paleo-tectonics and the related geodynamic movement of the Tibetan Plateau. Two maj.r paleo- oceans, the Mid-Tethys Ocean between the Qiangtang and Lhasa blocks, and the Neo-Tethys Ocean between the Lhasa and Himalayan blocks, existed in the Tibetan region in the Early Cretaceous. The Himalayan Marginal and South Lhasa Seas formed in the southern and northern margins of the Neo- Tethys Ocean, the Central Tibet Sea and the Qiangtang Marginal Sea formed in the southern and northern margins of the Mid-Tethys Ocean, respectively. An arm of the sea extended into the southwestern Tarim basin in the Early Cretaceous. Early Cretaceous intensive thrusting, magmatic emplacement and volcanic eruptions occurred in the central and northern Lhasa Block, while strike- slip formed along the Hoh-Xil and South Kunlun Faults in the northern Tibetan region. Early Cretaceous tectonics together with magmatic K20 geochemistry indicate an Early Cretaceous southward subduction of the Mid-Tethys Oceanic Plate along the Bangoin-Nuj.ang Suture which was thrust ~87 km southward during the Late Cretaceous-Early Cenozoic. No intensive thrust and magmatic emplacement occurred in the Early Cretaceous in the Himalayan and southern Lhasa Blocks, indicating that the spreading Neo-Tethys Oceanic Plate had not been subducted in the Early Cretaceous. To the north, terrestrial basins of red-beds formed in the Hoh-Xil, Kunlun, Qilian and the northeastern Tarim blocks in Early Cretaceous, and the Qiangtang Marginal Sea disappeared after the Qiangtang Block uplifted in the late Early Cretaceous.

关键词： Early Cretaceous paleo-tectonics subduction of the oceanic plate K20 geochemistry of granites Bangoin-Nuj.ang Suture the Tibetan Plateau

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SOME RECURRENCE FORMULAS FOR BOX SPLINES AND CONE SPLINES

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Analysis in Theory and Applications 2004年第4期20卷 297-306页

作者： patrick j. Van Fleet Department of Mathematics University of St. Thomas St. Paul MN 55105 USA

A degree elevation formula for multivariate simplex splines was given by Micchelli and extended to hold for multivariate Dirichlet splines in [8]. We report similar formulae for multivariate cone splines and box splines. To this end, we utilize a relation due to Dahmen and Micchelli that connects box splines and cone splines and a degree reduction formula given by Cohen, Lyche, and Riesenfeld in [2].

关键词： box spline cone spline degree elevation

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Determination of fractional energy loss of waves in nearshore waters using an improved high-order Boussinesq-type model

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Chinese j.urnal of Oceanology and Limnology 2009年第3期27卷 621-629页

作者：何海伦宋金宝 patrick j. Lynett 李爽 Institute of Oceanology Chinese Academy of Sciences Key Laboratory of Ocean Circulation and Waves(KLOCAW) Chinese Academy of Sciences Graduate School Chinese Academy of Sciences Department of Civil Engineering Texas A&M University

Fractional energy losses of waves due to wave breaking when passing over a submerged bar are studied systematically using a modified numerical code that is based on the high-order Boussinesq-type *** model is first tested by the additional experimental data,and the model's capability of simulating the wave transformation over both gentle slope and steep slope is ***,the model's breaking index is replaced and *** new breaking index,which is optimized from the several breaking indices,is not sensitive to the spatial grid length and includes the bottom *** tests show that the modified model with the new breaking index is more stable and efficient for the shallow-water wave ***,the modified model is used to study the fractional energy losses for the regular waves propagating and breaking over a submerged *** results have revealed that how the nonlinearity and the dispersion of the incident waves as well as the dimensionless bar height(normalized by water depth) dominate the fractional energy *** is also found that the bar slope(limited to gentle slopes that less than 1:10) and the dimensionless bar length(normalized by incident wave length) have negligible effects on the fractional energy losses.

关键词： breaking waves Boussinesq-type equations nearshore wave modeling fractional energy loss

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A Thickness Gauge for the Lithosphere Based on Ce/Yb and Sm/Yb of Mantle–Derived Magmatic Rocks

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Acta Geologica Sinica(English Edition) 2018年第6期92卷 2120-2135页

作者： WU Zhenhan patrick j. BAROSH ZHANG Qichao WU j.wen YANG Yan Chinese Academy of Geological Sciences Beijing 100037China P.j.Barosh and Associates 103 Aaron Ave.BristolRI02809USA Institute of Karst Geology Chinese Academy of Geological SciencesGuilin 541004China

A new method for determining the partial melting depth of mantle-derived magma and lithospheric thickness in continental regions is derived from REE geochemistry. This effective technique uses variations in the Ce/Yb and Sm/Yb ratios found in mainly volcanic rocks in continental China. The ratios change with the depth of origin consistent with the correlation between lithospheric thickness and the Ce/Yb and Sm/Yb ratios found in oceanic basalt. These ratios increase exponentially with the depth of origin, the lithospheric thickness, of a wide variety of Cenozoic volcanic basalt and Paleozoic kimberlite in the North China Craton, northeastern China continent and vicinity. This functional relationship with depth is shown in a plot of the ratios that forms a concordia curve, which is closely expressed by formulas using 8–degree polynomials. These provide a more accurate gage in measuring the lithospheric thickness than the traditional geophysical methods. When applied to volcanic rock of different ages it also reveals how the thickness has changed over time and thus, greatly aids the understanding of the tectonic history. Relations between the COcontent, mineral reactions and pressure in the upper asthenosphere beneath the base of the lithosphere appears to affect the proportions of REE in partial melts and brings about a close correlation between lithospheric thickness and the Ce/Yb and Sm/Yb ratios in mantle–derived magmatic rock. This thickness gauge, for both continental and oceanic lithosphere, provides a new approach in analyzing the lithospheric thickness in different tectonic settings and geologic times.

关键词： Ce/Yb and Sm/Yb ratios mantle–derived magmatic rock lithospheric thickness correlation analysis North China Craton

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Tectonics and Topography of the Tibetan Plateau in Early Miocene

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Acta Geologica Sinica(English Edition) 2014年第2期88卷 410-424页

作者： WU Zhenhan YANG Yan patrick j. BAROSH WU Zhonghai ZHANG Yaoling Chinese Academy of Geological Sciences P.j. Barosh and Associates Institute of Geomechanics Chinese Academy of Geological Sciences

Early Miocene stratigraphy,maj.r structural systems,magmatic emplacement,volcanic eruption,vegetation change and paleo-elevation were analyzed for the Tibetan Plateau after regional geological mapping at a scale of 1：250,000 and related researches,revealing much more information for tectonic evolution and topographic change of the high plateau caused by Indian-Asian continental *** deposits of dolostone,dolomite limestone,limestone,marl,sandstone and conglomerate of weak deformation formed extensively in the central Tibetan Plateau,indicating that vast lake complexes as large as 100,000-120,000 km2 existed in the central plateau during Early *** assemblages contained in the lacustrine strata indicate the disappearance of most tropical-subtropical broad-leaved trees since Early Miocene and the flourishing of dark needle-leaved trees during Early *** vegetation changes adj.sted for latitude and global climate variations demonstrate that the central Tibetan Plateau rose to ca.4,000-4,500 m and the northeastern plateau uplifted to ca.3,500-4,000 m before the Early *** thrust and crustal thickening occurred in the areas surrounding central Tibetan Plateau in Early Miocene,formed Gangdise Thrust System （GTS） in the southern Lhasa block,Zedong-Renbu Thrust （ZRT） in the northern Himalaya block,Main Central Thrust （MCT） and Main Boundary Thrust （MBT） in the southern Himalaya block,and regional thrust systems in the Qaidam,Qilian,West Kunlun and Songpan-Ganzi *** basins formed in Early Miocene along maj.r thrust systems,*** Siwalik basin along MCT,Yalung-Zangbu Basin along GTS and ZRT,southwestern Tarim depression along West Kunlun Thrust,and large foreland basins along maj.r thrust systems in the northeastern margin of the *** volcanic eruptions formed in the Qiangtang,Hoh-Xil and Kunlun blocks,porphyry granites and volcanic eruptions formed in the Nainqentanglha and Gangdise Mts.,and leuco

关键词： Lacustrine deposits vast lakes elevation change regional thrust system Early Miocene Tibetan Plateau

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