The Paleozoic-Mesozoic recycling of the Rakaia Terrane, South Island, New Zealand : sandstone clast and sandstone petrology, geochemistry, and geochronology

International Nuclear Information System (INIS)

Wandres, A.M.; Bradshaw, J.D.; Ireland, T.

2005-01-01

The Torlesse terranes - part of the New Zealand Eastern Province - are accretionary complexes that comprise an enormous volume of quartzofeldspathic sandstones and mudstones with subsidiary conglomerates plus minor oceanic assemblages. Two terranes are recognised in the South Island - the Permian to Late Triassic Rakaia Terrane and the Late Jurassic to Early Cretaceous Pahau Terrane. Sandstone clasts from two Rakaia Terrane and two Pahau Terrane conglomerates were collected. We present the first combined detailed information on petrography and geochemistry of Torlesse conglomerate sandstone clasts and use our own and published U-Pb SHRIMP detrital zircon age data to demonstrate the recycling of the Rakaia Terrane into Rakaia strata itself and into Pahau Terrane strata. Sandstone clast major and trace element chemical data largely support petrographic observations derived from thin-section analysis. The similarities of petrographic and geochemical data between sandstone clasts from the Rakaia Terrane and Rakaia sandstones suggest that clasts in the Permian Te Moana and Late Triassic Lake Hill Conglomerates were derived by autocannibalistic reworking of older, consolidated, Rakaia sediments. Data from sandstone clasts from the Pahau Terrane suggest that uplift of the Rakaia Terrane continued into the Cretaceous. These Pahau Terrane clasts indicate that at the time of the Pahau sedimentation Permian to early Late Triassic Rakaia rocks were exposed and recycled into the Pahau Basin. (author). 57 refs., 8 figs., 3 tables

Linking Tengchong Terrane in SW Yunnan with Lhasa Terrane in southern Tibet through magmatic correlation

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Xie, Jincheng; Zhu, Dicheng; Dong, Guochen; Zhao, Zhidan; Wang, Qing

2016-04-01

New zircon U-Pb data, along with the data reported in the literature, reveal five phases of magmatic activity in the Tengchong Terrane since the Early Paleozoic with spatial and temporal variations summarized as: Cambrian-Ordovician (500-460 Ma) to the eastern, minor Triassic (245-206 Ma) in the eastern and western, abundant Early Cretaceous (131-114 Ma) in the eastern, extensive Late Cretaceous (77-65 Ma) in the central, and Paleocene-Eocene (65-49 Ma) in the central and western Tengchong Terrane, in which the Cretaceous-Eocene magmatism was migrated from east to west (Xu et al., 2012). The increased zircon eHf(t) of the Early Cretaceous granitoids from -12.3 to -1.4 at ca. 131-122 Ma to -4.6 to +7.1 at ca. 122-114 Ma identified for the first time in this study and the magmatic flare-up at ca. 53 Ma in the central and western Tengchong Terrane (Wang et al., 2014, Ma et al., 2015) indicate the increased contributions from mantle- or juvenile crust-derived components. The spatial and temporal variations and changing magmatic compositions with time in the Tengchong Terrane closely resemble the Lhasa Terrane in southern Tibet. Such similarities, together with the data of stratigraphy and paleobiogeography (Zhang et al., 2013), enable us to propose that the Tengchong Terrane in SW Yunnan is most likely linked with the Lhasa Terrane in southern Tibet, both of which experience similar tectonomagmatic histories since the Early Paleozoic. References Ma, L.Y., Wang, Y.J., Fan, W.M., Geng, H.Y., Cai, Y.F., Zhong, H., Liu, H.C., Xing, X.W., 2014. Petrogenesis of the early Eocene I-type granites in west Yingjiang (SW Yunnan) and its implication for the eastern extension of the Gangdese batholiths. Gondwana Research 25, 401-419. Wang, Y.J., Zhang, L.M., Cawood, P.A., Ma, L.Y., Fan, W.M., Zhang, A.M., Zhang, Y.Z., Bi, X.W., 2014. Eocene supra-subduction zone mafic magmatism in the Sibumasu Block of SW Yunnan: Implications for Neotethyan subduction and India-Asia collision

Precambrian terranes of African affinities in the southeastern part of Brazil and Uruguay

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Basei, M.A.S; Junior, Siga; Harara, O.M; Preciozzi, F; Sato, K; Kaufuss, G

2001-01-01

The interest in correlating terranes at opposite margins of the South Atlantic Ocean reflects a natural curiosity of both researchers who work in the eastern South-America and who study southwestern Africa. On a large scale scenario the geology of this region is characterized by a central portion composed of Neo proterozoic-Cambrian belts (Dom Feliciano, Kaoko, Damara, Gariep, Saldania) having on each side old gneissic-migmatitic terrains on both continents (Luis Alves, Rio de La Plata, Kalahari and Congo). In South America the Neoproterozoic Dom Feliciano Belt (DFB) predominates in the eastern part of the region and is internally organized according to three different crustal segments characterized, from southeast to northwest, by a Granite belt (deformed I-type medium to high calc-alkaline granites and alkaline granitoid rocks; a Schist belt (volcano-sedimentary rocks metamorphosed from greenschist to amphibolite facies and intrusive granitoids), and a Foreland basin (anchimetamorphic sedimentary and volcanic rocks), the latter situated between the Schist belt and the Archean-Paleoproterozoic foreland. Despite discontinuously covered by younger sediments, the NS continuity of these three crustal segments is suggested by similar lithotypes, structural characteristics, ages and isotopic signature, as well as by the gravimetric data. The Major Gercino, Cordilheira, and Sierra Ballena shear zones are part of the major NE-SW lineaments that affect all southern Brazilian and Uruguayan Precambrian terrains. They separate the Dom Feliciano Schist Belt (supracrustal rocks of the Brusque-Porongos and Lavalleja groups), to the West, from the granitoids of the Granite belt, to the East. The shear zones are characterized by a regional NE trend and a resultant oblique direction of movement where ductile-brittle structures predominate. It is here postulated, as discussed later on, that this lineament separates terranes that are geologically, geo chronologically and isotopically

Terrane Boundary Geophysical Signatures in Northwest Panay, Philippines: Results from Gravity, Seismic Refraction and Electrical Resistivity Investigations

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Jillian Aira S. Gabo

2015-01-01

Full Text Available Northwest Panay consists of two terranes that form part of the Central Philippine collision zone: Buruanga Peninsula and Antique Range. The Buruanga Peninsula consists of a Jurassic chert-clastic-limestone sequence, typical of oceanic plate stratigraphy of the Palawan Micro-continental Block. The Antique Range is characterized by Antique Ophiolite Complex peridotites and Miocene volcanic and clastic rocks, representing obducted oceanic crust that serves as the oceanic leading edge of the collision with the Philippine Mobile Belt. The Nabas Fault is identified as the boundary between the two terranes. This study employed the gravity method to characterize the Northwest Panay subsurface structure. Results indicate higher Bouguer anomaly values for Buruanga Peninsula than those for Antique Range, separated by a sudden decrease in gravity values toward the east-southeast (ESE direction. Forward gravity data modeling indicates the presence of an underlying basaltic subducted slab in the Buruanga Peninsula. Furthermore, the Nabas Fault is characterized as an east-dipping thrust structure formed by Buruanga Peninsula basement leading edge subduction beneath Antique Range. Additional geophysical constraints were provided by shallow seismic refraction and electrical resistivity surveys. Results from both methods delineated the shallow subsurface signature of the Nabas Fault buried beneath alluvium deposits. The gravity, seismic refraction and electrical resistivity methods were consistent in identifying the Nabas Fault as the terrane boundary between the Buruanga Peninsula and the Antique Range. The three geophysical methods helped constrain the subsurface configuration in Northwest Panay.

Lower precambrian of the Keivy Terrane, Northeastern Baltic Shield: A stratigraphic succession or a collage of tectonic sheets?

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Balagansky, V. V.; Raevsky, A. B.; Mudruk, S. V.

2011-03-01

The Keivy Terrane in the northeastern Baltic Shield appreciably differs from the adjacent tectonic blocks. In the northwestern part of this terrane (the Serpovidny Range), an outlier of Paleoproterozoic supracrustal rocks called the Serpovidny structure is surrounded by Archean (?) Keivy high-alumina paraschists. As follows from structural and magnetic data, the Paleoproterozoic rocks are deformed into a tight sheath fold 8 × 2 km in size at the surface and 5 km in length along the sheath axis. Faults parallel to the boundaries of the layers and locally cutting them off at an acute angle are involved in folding as well. The outer boundaries of the Serpovidny structure are tectonic. This structure is complementary to a larger tectonic lens composed of the Keivy mica schists. It is concluded that all of the supracrustal rocks of the Serpovidny Range are in fact tectonic sheets and lenses deformed into sheath folds. The literature data show that kilometer-scale sheath folds occur throughout the Keivy paraschist belt and most likely were formed owing to thrusting of the Murmansk Craton onto the Keivy Terrane in the south-southwestern direction. Foliation and lineation related to thrusting have been established in the Archean silicic metavolcanics and peralkaline granites occupying the most part of the terrane. In contrast, the granitoids and gabbroanorthosites of the Archean basement, which form a block 90 × 20 km in the southwestern Keivy Terrane, were not affected by Paleoproterozoic deformation. In other words, a detached assembly of tectonic sheets composed of the upper and middle crustal rocks that underwent deformation at the initial stage of the Paleoproterozoic Lapland-Kola Orogeny and the Archean basement, which is free of this deformation, are distinguished. The depth of detachment is estimated at 20-25 km. The detachment of the upper and middle crust in the Keivy Terrane and its position in the structure of the Baltic Shield are consistent with a

Paleomagnetic Constraints on the Tectonic History of the Mesozoic Ophiolite and Arc Terranes of Western Mexico

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Boschman, L.; Van Hinsbergen, D. J. J.; Langereis, C. G.; Molina-Garza, R. S.; Kimbrough, D. L.

2017-12-01

The North American Cordillera has been shaped by a long history of accretion of arcs and other buoyant crustal fragments to the western margin of the North American Plate since the Early Mesozoic. Accretion of these terranes resulted from a complex tectonic history interpreted to include episodes of both intra-oceanic subduction within the Panthalassa/Pacific Ocean, as well as continental margin subduction along the western margin of North America. Western Mexico, at the southern end of the Cordillera, contains a Late Cretaceous-present day long-lived continental margin arc, as well as Mesozoic arc and SSZ ophiolite assemblages of which the origin is under debate. Interpretations of the origin of these subduction-related rock assemblages vary from far-travelled exotic intra-oceanic island arc character to autochthonous or parautochthonous extended continental margin origin. We present new paleomagnetic data from four localities: (1) the Norian SSZ Vizcaíno peninsula Ophiolite; (2) its Lower Jurassic sedimentary cover; and (3) Barremian and (4) Aptian sediments derived from the Guerrero arc. The data show that the Mexican ophiolite and arc terranes have a paleolatitudinal plate motion history that is equal to that of the North American continent. This suggests that these rock assemblages were part of the overriding plate and were perhaps only separated from the North American continent by temporal fore- or back-arc spreading. These spreading phases resulted in the temporal existence of tectonic plates between the North American and Farallon Plates, and upon closure of the basins, in the growth of the North American continent without addition of any far-travelled exotic terranes.

Geochemical Constraints for Mercury's PCA-Derived Geochemical Terranes

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Stockstill-Cahill, K. R.; Peplowski, P. N.

2018-05-01

PCA-derived geochemical terranes provide a robust, analytical means of defining these terranes using strictly geochemical inputs. Using the end members derived in this way, we are able to assess the geochemical implications for Mercury.

Gondwanan/peri-Gondwanan origin for the Uchee terrane, Alabama and georgia: Carolina zone or Suwannee terrane(?) and its suture with Grenvillian basement of the Pine Mountain window

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Steltenpohl, M.G.; Mueller, P.M.; Heatherington, A.L.; Hanley, T.B.; Wooden, J.L.

2008-01-01

The poorly known, suspect, Uchee terrane occupies a critical tectonic position with regard to how and when peri-Gondwanan (Carolina) and Gondwanan (Suwannee) terranes were sutured to Laurentia. It lies sandwiched between Laurentian(?) continental basement exposed in the Pine Mountain window and adjacent buried Gondwanan crust of the Suwannee terrane. The Uchee terrane has been proposed as both a septum of Piedmont rocks that once was continuous across the erosionally breached Pine Mountain window or part of the Carolina zone. To help resolve this issue, we conducted U-Pb (SHRIMP-RG) (sensitive high-resolution ion microprobe-reverse geometry) zircon studies and whole-rock isotopic analyses of principal metasedimentary and metaplutonic units. U-Pb ages for zircons from the Phenix City Gneiss suggest igneous crystallization at ca. 620 Ma, inheritance ca. 1000 to ca. 1700 Ma, and a ca. 300 Ma (Alleghanian) overprint recorded by zircon rims. Zircons from the metasedimentary/metavolcaniclastic Moffits Mill Schist yield bimodal dates at ca. 620 and 640 Ma. The 620 to 640 Ma dates make these rocks age-equivalent to the oldest parts of the Carolina slate belt (Virgilina and Savannah River) and strongly suggest a Gondwanan (Pan-African and/or Trans-Brasiliano) origin for the Uchee terrane. Alternatively, the Uchee terrane may be correlative with metamorphic basement of the Suwannee terrane. The ca. 300 Ma overgrowths on zircons are compatible with previously reported 295 to 288 Ma 40Ar/39Ar hornblende dates on Uchee terrane rocks, which were interpreted to indicate deep tectonic burial of the Uchee terrane contemporaneous with the Alleghanian orogeny recorded in the foreland. Temperature-time paths for the Uchee terrane are similar to that of the Pine Mountain terrane, indicating a minimum age of ca. 295 Ma for docking. In terms of tectono-metamorphic history of the Uchee terrane, it is important to note that no evidence for intermediate "Appalachian" dates (e.g, Acadian or

Two possibilities for New Siberian Islands terrane tectonic history during the Early Paleozoic based on paleomagnetic data

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Metelkin, Dmitry V.; Chernova, Anna I.; Vernikovsky, Valery A.; Matushkin, Nikolay Yu.

2017-04-01

The New Siberian Islands (NSI), located in the East Siberian Sea in the junction region of various structural elements, are a key target for deciphering the tectonic evolution of the Eastern Arctic. In recent years, we went on several expeditions and gathered an extensive geological material for this territory. Among other things, we could prove that the basement of the De Long and Anjou archipelagos structures is Precambrian and the overlying Paleozoic sections formed within the same terrane. The form of the boundaries of the NSI terrane are actively debated and are probably continued from the Lyakhovsky islands in the south-west to the southern parts of the submerged Mendeleev Ridge, for which there is increasing evidence of continental crust. Today there are several models that interpret the Paleozoic-Mesozoic tectonic history and structural affiliation of the NSI terrane. Some propose that the Paleozoic sedimentary section formed in a passive margin setting of the Siberian paleocontinent. Others compare its history with marginal basins of the Baltica and Laurentia continents or consider the NSI terrane as an element of the Chukotka-Alaska microplate. These models are mainly based on results of paleobiogeographical and lithological-facies analyses, including explanations of probable sources for detrital zircons. Our paleomagnetic research on sedimentary, volcanogenic-sedimentary and igneous rocks of the Anjou (Kotelny and Bel'kovsky islands) and De Long (Bennett, Jeannette and Henrietta islands) archipelagos let us calculate an apparent polar wander path for the early Paleozoic interval of geological history, which allows us to conclude that the NSI terrane could not have been a part of the continental plates listed above, but rather had active tectonic boundaries with them. Our paleomagnetic data indicate that the NSI terrane drifted slowly and steadily in the tropical and subtropical regions no higher than 40 degrees. However, the main uncertainty for the

Extended icosahedral structures

CERN Document Server

Jaric, Marko V

1989-01-01

Extended Icosahedral Structures discusses the concepts about crystal structures with extended icosahedral symmetry. This book is organized into six chapters that focus on actual modeling of extended icosahedral crystal structures. This text first presents a tiling approach to the modeling of icosahedral quasiperiodic crystals. It then describes the models for icosahedral alloys based on random connections between icosahedral units, with particular emphasis on diffraction properties. Other chapters examine the glassy structures with only icosahedral orientational order and the extent of tra

Interpretation of gravity profiles across the northern Oaxaca terrane, its boundaries and the Tehuacán Valley, southern Mexico

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Campos-Enríquez, J. O.; Alatorre-Zamora, M. A.; Keppie, J. D.; Belmonte-Jiménez, S. I.; Ramón-Márquez, V. M.

2014-12-01

A gravity study was conducted across the northern Oaxaca terrane and its bounding faults: the Caltepec and Oaxaca Faults to the west and east, respectively. These faults juxtapose the Oaxaca terrane against the Mixteca and Juarez terranes, respectively. The Oaxaca Fault also forms the eastern boundary of the Cenozoic Tehuacán depression. On the west, at depth, the Tehuacán valley is limited by the normal buried Tehuacán Fault. This gravity study reveals that the Oaxaca Fault system gives rise to a series of east tilted basamental blocks (Oaxaca Complex). The tectonic depression is filled with Phanerozoic rocks and has a deeper depocenter to the west. The gravity data also indicate that on the west, the Oaxaca Complex, the Caltepec and Santa Lucia faults continue northwestwards beneath Phanerozoic rocks. A major E-W to NE-SW discontinuity is inferred to exist between profiles 1 and 2.

Grenville age of basement rocks in Cape May NJ well: New evidence for Laurentian crust in U.S. Atlantic Coastal Plain basement Chesapeake terrane

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Sheridan, R.E.; Maguire, T.J.; Feigenson, M.D.; Patino, L.C.; Volkert, R.A.

1999-01-01

The Chesapeake terrane of the U.S. mid-Atlantic Coastal Plain basement is bounded on the northwest by the Salisbury positive gravity and magnetic anomaly and extends to the southeast as far as the Atlantic coast. It underlies the Coastal Plain of Virginia, Maryland, Delaware and southern New Jersey. Rubidium/Strontium dating of the Chesapeake terrane basement yields an age of 1.025 ?? 0.036 Ga. This age is typical of Grenville province rocks of the Middle to Late Proterozoic Laurentian continent. The basement lithologies are similar to some exposed Grenville-age rocks of the Appalachians. The TiO2 and Zr/P2O5 composition of the metagabbro from the Chesapeake terrane basement is overlapped by those of the Proterozoic mafic dikes in the New Jersey Highlands. These new findings support the interpretation that Laurentian basement extends southeast as far as the continental shelf in the U.S. mid-Atlantic region. The subcrop of Laurentian crust under the mid-Atlantic Coastal Plain implies unroofing by erosion of the younger Carolina (Avalon) supracrustal terrane. Dextral-transpression fault duplexes may have caused excessive uplift in the Salisbury Embayment area during the Alleghanian orogeny. This extra uplift in the Salisbury area may have caused the subsequent greater subsidence of the Coastal Plain basement in the embayment.

Geology and metallogeny of the Ar Rayn terrane, eastern Arabian shield: Evolution of a Neoproterozoic continental-margin arc during assembly of Gondwana within the East African orogen

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Doebrich, J.L.; Al-Jehani, A. M.; Siddiqui, A.A.; Hayes, T.S.; Wooden, J.L.; Johnson, P.R.

2007-01-01

The Neoproterozoic Ar Rayn terrane is exposed along the eastern margin of the Arabian shield. The terrane is bounded on the west by the Ad Dawadimi terrane across the Al Amar fault zone (AAF), and is nonconformably overlain on the east by Phanerozoic sedimentary rocks. The terrane is composed of a magmatic arc complex and syn- to post-orogenic intrusions. The layered rocks of the arc, the Al Amar group (>689 Ma to ???625 Ma), consist of tholeiitic to calc-alkaline basaltic to rhyolitic volcanic and volcaniclastic rocks with subordinate tuffaceous sedimentary rocks and carbonates, and are divided into an eastern and western sequence. Plutonic rocks of the terrane form three distinct lithogeochemical groups: (1) low-Al trondhjemite-tonalite-granodiorite (TTG) of arc affinity (632-616 Ma) in the western part of the terrane, (2) high-Al TTG/adakite of arc affinity (689-617 Ma) in the central and eastern part of the terrane, and (3) syn- to post-orogenic alkali granite (607-583 Ma). West-dipping subduction along a trench east of the terrane is inferred from high-Al TTG/adakite emplaced east of low-Al TTG. The Ar Rayn terrane contains significant resources in epithermal Au-Ag-Zn-Cu-barite, enigmatic stratiform volcanic-hosted Khnaiguiyah-type Zn-Cu-Fe-Mn, and orogenic Au vein deposits, and the potential for significant resources in Fe-oxide Cu-Au (IOCG), and porphyry Cu deposits. Khnaiguiyah-type deposits formed before or during early deformation of the Al Amar group eastern sequence. Epithermal and porphyry deposits formed proximal to volcanic centers in Al Amar group western sequence. IOCG deposits are largely structurally controlled and hosted by group-1 intrusions and Al Amar group volcanic rocks in the western part of the terrane. Orogenic gold veins are largely associated with north-striking faults, particularly in and near the AAF, and are presumably related to amalgamation of the Ar Rayn and Ad Dawadimi terranes. Geologic, structural, and metallogenic

Circum-North Pacific tectonostratigraphic terrane map

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Nokleberg, Warren J.; Parfenov, Leonid M.; Monger, James W.H.; Baranov, Boris B.; Byalobzhesky, Stanislav G.; Bundtzen, Thomas K.; Feeney, Tracey D.; Fujita, Kazuya; Gordey, Steven P.; Grantz, Arthur; Khanchuk, Alexander I.; Natal'in, Boris A.; Natapov, Lev M.; Norton, Ian O.; Patton, William W.; Plafker, George; Scholl, David W.; Sokolov, Sergei D.; Sosunov, Gleb M.; Stone, David B.; Tabor, Rowland W.; Tsukanov, Nickolai V.; Vallier, Tracy L.; Wakita, Koji

1994-01-01

The companion tectonostratigraphic terrane and overlap assemblage of map the Circum-North Pacific presents a modern description of the major geologic and tectonic units of the region. The map illustrates both the onshore terranes and overlap volcanic assemblages of the region, and the major offshore geologic features. The map is the first collaborative compilation of the geology of the region at a scale of 1:5,000,000 by geologists of the Russian Far East, Japanese, Alaskan, Canadian, and U.S.A. Pacific Northwest. The map is designed to be a source of geologic information for all scientists interested in the region, and is designed to be used for several purposes, including regional tectonic analyses, mineral resource and metallogenic analyses (Nokleberg and others, 1993, 1994a), petroleum analyses, neotectonic analyses, and analyses of seismic hazards and volcanic hazards. This text contains an introduction, tectonic definitions, acknowledgments, descriptions of postaccretion stratified rock units, descriptions and stratigraphic columns for tectonostratigraphic terranes in onshore areas, and references for the companion map (Sheets 1 to 5). This map is the result of extensive geologic mapping and associated tectonic studies in the Russian Far East, Hokkaido Island of Japan, Alaska, the Canadian Cordillera, and the U.S.A. Pacific Northwest in the last few decades. Geologic mapping suggests that most of this region can be interpreted as a collage of fault-bounded tectonostratigraphic terranes that were accreted onto continental margins around the Circum-

The ophiolitic North Fork terrane in the Salmon River region, central Klamath Mountains, California

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Ando, C.J.; Irwin, W.P.; Jones, D.L.; Saleeby, J.B.

1983-01-01

The North Fork terrane is an assemblage of ophiolitic and other oceanic volcanic and sedimentary rocks that has been internally imbricated and folded. The ophiolitic rocks form a north-trending belt through the central part of the region and consist of a disrupted sequence of homogeneous gabbro, diabase, massive to pillowed basalt, and interleaved tectonitic harzburgite. U-Pb zircon age data on a plagiogranite pod from the gabbroic unit indicate that at least this part of the igneous sequence is late Paleozoic in age.The ophiolitic belt is flanked on either side by mafic volcanic and volcaniclastic rocks, limestone, bedded chert, and argillite. Most of the chert is Triassic, including much of Late Triassic age, but chert with uncertain stratigraphic relations at one locality is Permian. The strata flanking the east side of the ophiolitic belt face eastward, and depositional contacts between units are for the most part preserved. The strata on the west side of the ophiolitic belt are more highly disrupted than those on the east side, contain chert-argillite melange, and have unproven stratigraphic relation to either the ophiolitic rocks or the eastern strata.Rocks of the North Fork terrane do not show widespread evidence of penetrative deformation at elevated temperatures, except an early tectonitic fabric in the harzburgite. Slip-fiber foliation in serpentinite, phacoidal foliation in chert and mafic rocks, scaly foliation in argillite, and mesoscopic folds in bedded chert are consistent with an interpretation of large-scale anti-formal folding of the terrane about a north-south hinge found along the ophiolitic belt, but other structural interpretations are tenable. The age of folding of North Fork rocks is constrained by the involvement of Triassic and younger cherts and crosscutting Late Jurassic plutons. Deformation in the North Fork terrane must have spanned a short period of time because the terrane is bounded structurally above and below by Middle or Late

Basic hypabissal, gondwanic magmatism: a new contribution for tecto no-stratigraphic terranes recognition in Uruguay

International Nuclear Information System (INIS)

Bossi, J.

2006-01-01

The possibility of having sufficient structural, geochronologic and geochemical data about the dykes and sills of Cuaro formation and the Corral de Piedra dyke swarm allowed to suggest the nature of the Mantle source and the injection process of each filonian set. Three units injected in the Gondwana continent were recognized: not outcropping Cuaro formation, at Piedra Alta Terrane; outcropping Cuaro Fm. in the Nico Perez Terrane, and the Corral de Piedra dyke swarm in the Cuchilla Dionisio terrane It was found different behavior in several important parameters in each one of them: mantelic source , melting percentage and crustal contamination. It may be concluded that Mantle nature and crust thickness and composition are different in each block, what supports. the idea that continental socle was constructed by amalgamation of different units of allocton provenence. When heat loss became difficult by the mega-continent consolidation, each fragment acted of different way. This represents a very strong argument favoring terrane Cuchilla Dionisio alloctony leaned to 525 Ma as regional geological mapping indicated

Geophysical interpretation of the gneiss terrane of northern Washington and southern British Columbia, and its implications for uranium exploration

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Cady, John W.; Fox, Kenneth F.

1984-01-01

The Omineca crystalline belt of northeastern Washington and southern British Columbia has a regional Bouguer gravity high, and individual gneiss domes within the terrane are marked by local gravity highs. Models of crustal structure that satisfy the limited available seismic-refraction data and explain the gravity high over the gneiss terrane permit the hypothesis that the core metamorphic complexes are the surface expression of a zone of dense infrastructure that makes up the upper 20 km (kilometers) of the crust within the crystalline belt. The Omineca crystalline belt is characterized regionally by low aeromagnetic relief. The gneiss domes and biotite- and biotite-muscovite granites are generally marked by low magnetic relief, whereas hornblende-biotite granites often cause magnetic highs. Exceptional magnetic highs mark zones of magnetic rock within the biotite- and biotite-muscovite granites and the gneiss domes; these areas are worthy of study, both to determine the origin and disposition of the magnetite and to explore the possible existence of uraniferous magnetite deposits.

Terrane accumulation and collapse in central Europe: seismic and rheological constraints

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Meissner, R.

1999-05-01

An attempt is made to compare the tectonic units and their evolution in central Europe with the deep seismic velocity structure and patterns of reflectivity. Caledonian and Variscan terrane accretion and orogenic collapse dominate the tectonic development in central and western Europe and have left their marks in a distinct velocity structure and crustal thickness as well as in the various reflectivity patterns. Whereas the memory of old collisional structures is still preserved in the rigid upper crust, collapse processes have formed and modified the lower crust. They have generally created rejuvenated, thin crusts with shallow Mohos. In the Variscan internides, the center of collision and post-orogenic heat pulses, the lower crust developed strong and thick seismic lamellae, the (cooler) externides show a thrust and shear pattern in the whole crust, and the North German Basin experienced large mafic intrusions in the lower crust and developed a high-velocity structure with only very thin lamellae on top of the Moho. The various kinds of reflectivity patterns in the lithosphere can be explained by a thermo-rheological model from terrane collision, with crustal thickening to collapse in a hot, post-orogenic setting.

Recognition of the Kaweka Terrane in northern South Island, New Zealand : preliminary evidence from Rb-Sr metamorphic and U-Pb detrital zircon ages

International Nuclear Information System (INIS)

Adams, C.J.; Mortimer, N.; Campbell, H.J.; Griffin, W.L.

2011-01-01

Detrital zircon U-Pb ages and Rb-Sr metamorphic ages from low-grade Torlesse Supergroup metasedimentary rocks from North Canterbury and Marlborough provide preliminary evidence for a continuation of the Kaweka Terrane of the central North Island into the Torlesse Composite Terrane of the South Island. This would extend from the south side of the Wairau Fault in the upper Wairau River valley southwards to the Lake Tennyson and Lake Sumner areas, and as far as Hawarden. Rb-Sr ages indicate Jurassic metamorphism, 170±24 Ma, with initial 87 Sr/ 86 Sr ratios at that time 0.7073 ± 0.0007 i.e. similar to their North Island counterparts. These Kaweka Terrane rocks have detrital zircon ages that follow the distinctive pattern of the Torlesse rocks in general, i.e. substantial (>30%) Permian-Triassic and Precambrian-Early Palaeozoic groupings, but they also have minor youngest age components c. 175-165 Ma which constrain a maximum Early-Middle Jurassic depositional age. In detail, significant, older zircon components are Late Permian-Early Triassic (260-240 Ma) and Late Triassic (220-210 Ma), but the Precambrian-Early Palaeozoic detrital zircon ages are more scattered. The Kaweka Terrane thus forms a linear belt (c. 500 km) along the length of the Torlesse Composite Terrane in both North and South Islands. In the South Island it coincides with the Esk Head Belt, i.e. east of the Rakaia Terrane (Triassic-Late Permian) and west of the Pahau Terrane (Early Cretaceous-Late Jurassic). (author). 61 refs., 4 figs., 2 tabs.

Triassic arc-derived detritus in the Triassic Karakaya accretionary complex was not derived from either the S Eurasian margin (Istanbul terrane) or the N Gondwana margin (Taurides)

Science.gov (United States)

Ustaömer, Timur; Ayda Ustaömer, Petek; Robertson, Alastair H. F.; Gerdes, Axel; Zulauf, Gernold

2014-05-01

We present new U-Pb zircon source age data for Upper Triassic sandstones of the Istanbul Terrane (S Eurasian margin) and also for Triassic sandstones of the Taurides (N Gondwana margin). The main aim is to detect and quantify the contribution of Triassic magmatism as detritus to either of these crustal blocks. This follows the recent discovery of a Triassic magmatic arc source for the Triassic sandstones of the Palaeotethyan Karakaya subduction-accretion complex (Ustaömer et al. 2013; this meeting). Carboniferous (Variscan) zircon grains also form a significant detrital population, plus several more minor populations. Six sandstone samples were studied, two from the İstanbul Terrane (Bakırlıkıran Formation of the Kocaeli Triassic Basin) and four from the Tauride Autochthon (latest Triassic Üzümdere Formation and Mid-Triassic Kasımlar Formations; Beyşehir region). Detrital zircon grains were dated by the laser ablation-inductively coupled plasma-mass spectrometer (LA-ICP-MS) U-Pb method at Goethe University, Frankfurt. Our results do not reveal Triassic detritus in the Üzümdere Formation. The U-Pb age of the analysed zircon grains ranges from 267 Ma to 3.2 Ga. A small fraction of Palaeozoic zircons are Permian (267 to 296 Ma), whereas the remainder are Early Palaeozoic. Ordovician grains (4%) form two age clusters, one at ca. 450 Ma and the other at ca. 474 Ma. Cambrian-aged grains dominate the zircon population, while the second largest population is Ediacaran (576 to 642 Ma). Smaller populations occur at 909-997 Ma, 827-839 Ma, 1.8-2.0 Ga and 2.4-2.6 Ga. The sandstones of the Kasımlar Formation have similar zircon age cluster to those of the somewhat younger Üzümdere Formation, ranging from 239 Ma to 2.9 Ga. A few grains gave Anisian ages. Cambrian zircon grains are less pronounced than in the Kasımlar Formation compared to the Üzümdere Formation. The detrital zircon record of Tauride sandstones, therefore, not indicates significant contribution

Geometries of geoelectrical structures in central Tibetan Plateau from INDEPTH magnetotelluric data

Science.gov (United States)

Vozar, Jan; Jones, Alan G.; Le Pape, Florian

2013-04-01

Magnetotelluric (MT) data collected on N-S profiles crossing the Banggong-Nujiang Suture, which separates the Qiangtang and Lhasa Terranes in central Tibet, as a part of InterNational DEep Profiling of Tibet and the Himalaya project (INDEPTH) are modeled by 2D and 3D inversion codes. The 2D deep MT model of line 500 confirms previous observations concluding that the region is characterized to first-order by a resistive upper crust and a conductive, partially melted, middle to lower crust that extends from the Lhasa Terrane to the Qiangtang Terrane with varying depth. The same conductive structure setting, but in shallower depths is also present on the eastern 400 line. From deep electromagnetic sounding, supported by independent 1D integrated petro-physical investigation, we can estimate the next upper-mantle conductive layer at depths from 200 km to 250 km below the Lhasa Terrane and less resistive Tibetan lithosphere below the Qiangtang Terrane with conductive upper-mantle in depths about 120 km. The anisotropic 2D modeling reveals lower crustal anisotropy in Lhasa Terrane, which can interpreted as crustal channel flow. The 3D inversion models of all MT data from central Tibet show dominant 2D regional strike of mid and lower crustal structures equal N110E. This orientation is parallel to Shuanghu suture, BengCo Jiali strike-slip fault system and perpendicular to convergence direction. The lower crust conductor in central Lhasa Terrane can be interpreted more likely as 3D lower Indian crust structure, located to the east from line 500, than geoelectrical anisotropic crustal flow.

Far-travelled permian chert of the North Fork terrane, Klamath mountains, California

Science.gov (United States)

Mankinen, E.A.; Irwin, W.P.; Blome, C.D.

1996-01-01

Permian chert in the North Fork terrane and correlative rocks of the Klamath Mountains province has a remanent magnetization that is prefolding and presumably primary. Paleomagnetic results indicate that the chert formed at a paleolatitude of 8.6?? ?? 2.5?? but in which hemisphere remains uncertain. This finding requires that these rocks have undergone at least 8.6?? ?? 4.4?? of northward transport relative to Permian North America since their deposition. Paleontological evidence suggests that the Permian limestone of the Eastern Klamath terrane originated thousands of kilometers distant from North America. The limestone of the North Fork terrane may have formed at a similar or even greater distance as suggested by its faunal affinity to the Eastern Klamath terrane and more westerly position. Available evidence indicates that convergence of the North Fork and composite Central Metamorphic-Eastern Klamath terranes occurred during Triassic or Early Jurassic time and that their joining together was a Middle Jurassic event. Primary and secondary magnetizations indicate that the new composite terrane containing these and other rocks of the Western Paleozoic and Triassic belt behaved as a single rigid block that has been latitudinally concordant with the North American craton since Middle Jurassic time.

Cretaceous–Eocene provenance connections between the Palawan Continental Terrane and the northern South China Sea margin

NARCIS (Netherlands)

Shao, Lei; Cao, Licheng; Qiao, Peijun; Zhang, Xiangtao; Li, Qianyu; van Hinsbergen, Douwe J.J.

2017-01-01

The plate kinematic history of the South China Sea opening is key to reconstructing how the Mesozoic configuration of Panthalassa and Tethyan subduction systems evolved into today's complex Southeast Asian tectonic collage. The South China Sea is currently flanked by the Palawan Continental Terrane

Piedra lata terrane of Uruguay: Rb-Sr geochronological data of two new paleoproterozoic (transamazonian) granitoids

International Nuclear Information System (INIS)

Cingolani, C; Bossi, J; Varela, R; Maldonado, S.; Pineyro, D.; Schipilov, A

2001-01-01

The Precambrian basement of Uruguay consists of three major terranes separated and crosscut by wide NE-striking subvertical transcurrent shear zones. The western terrane as a part of the Rio de la Plata Craton is known as the Piedra Alta Terrane (PAT). This is separated from the Nico Perez Terrane by the Sarandi del Yi-Piri olis subvertical shear zone (Bossi et al., 1993). A mafic dykes complex intruded the PAT at 1.8 Ga and was not later deformed. The PAT has equivalent rocks in the igneous-metamorphic basement of Tandilia region and the Martin Garcia Island, Buenos Aires Province, Argentina (Dalla Salda et al., 1988; Cingolani and Dalla Salda, 2000). The PAT shows no evidence of the Neoproterozoic orogenies and is considered a best preserved Paleoproterozoic block (Transamazonian Cycle). It contains three E-W trending belts of volcano-sedimentary rocks with low grade metamorphism. These are from south to north: Pando, San Jose and Andresito belts (Bossi et al., 1996). Associated with them, three granitic-gneissic zones he Ecilda Paullier, Florida and Feliciano- were recognized with magmatic intrusives emplaced at different crustal levels. The San Jose belt is the largest supracrustal unit and contains abundant volcanic and volcaniclastic rocks of low grade metamorphic (Paso Severino Fm.) with sheets of granitic rocks intercalated (Mutti et al., 1996; Bossi et al., 1996). The associated granitic rocks are of large areal extension, mostly granodiorites and tonalites, and minor monzogranite and gabbro (e.g. Cerro Rospide region), including xenoliths from Paso Severino Fm. Towards the north of the San Jose belt an important Florida granitized zone is developed in the central part of the PAT, where the Pintos massif was recognized. The main purpose of this contribution is to offer new Rb-Sr geochronological data from two granitoid units, The Cerro Rospide intrusive in Paso Severino Fm. and Pintos massif included in medium grade migmatic-metamorphic complex and its

Paleomagnetic contributions to the Klamath Mountains terrane puzzle-a new piece from the Ironside Mountain batholith, northern California

Science.gov (United States)

Mankinen, Edward A.; Gromme, C. Sherman; Irwin, W. Porter

2013-01-01

We obtained paleomagnetic samples from six sites within the Middle Jurassic Ironside Mountain batholith (~170 Ma), which constitutes the structurally lowest part of the Western Hayfork terrane, in the Klamath Mountains province of northern California and southern Oregon. Structural attitudes measured in the coeval Hayfork Bally Meta-andesite were used to correct paleomagnetic data from the batholith. Comparing the corrected paleomagnetic pole with a 170-Ma reference pole for North America indicates 73.5° ± 10.6° of clockwise rotation relative to the craton. Nearly one-half of this rotation may have occurred before the terrane accreted to the composite Klamath province at ~168 Ma. No latitudinal displacement of the batholith was detected.

Stable Isotope Evidence for a Complex Fluid Evolution of the Northwestern British Columbia Coast Ranges Related to Terrane Accretion

Science.gov (United States)

Moertle, J.; Holk, G. J.

2015-12-01

Stable isotope geochemistry reveals a complex fluid evolution for the Western Metamorphic Belt (WMB), Coast Ranges Batholith (CRB), Central Gneiss Complex (CGC) and Coast Ranges Megalineament (CRM). These fluids are a product of a complex tectonic history related to terrane accretion that includes oblique convergence, metamorphism, magmatism, and orogenic collapse. From W-to-E, these fluid systems are as follows. High-pressure greenschist-to-amphibolite facies metasedimentary rocks of the WMB record variable mineral δD (-61 to -104‰) and δ18O (e.g., quartz +9.6 to +13.4‰) values with multiple minerals in apparent isotopic equilibrium (T ~ 450-550°C) suggest a low W/R system dominated by metamorphic fluids. Variable and non-equilibrium δD (-53 to -143‰) and δ18O (e.g., biotite +2.3 to +5.3‰) values from diorites of the Quottoon pluton affected by the ductile CRM suggest a complex evolution that involved both metamorphic and meteoric-hydrothermal fluids in this dextral shear zone; these results differ from those 300 km along strike to the north that documented only metamorphic fluids in the CRM (Goldfarb et al., 1988). Our data and those of Magaritz and Taylor (1976) from granulite facies metasediments of the CGC and plutons of the western CRB reveal homogeneous δD values (-62 to -78‰) and a restricted range of δ18O values (e.g., quartz +8.5 to +11.5‰) with all minerals in equilibrium at T > 570°C indicate a system dominated by magmatic fluids. Calculated whole-rock δ18O values (~ +7‰) for the Quottoon pluton and CRB intrusive rocks suggest a mantle origin for these magmas. Reinterpretation of very low δD (< -150‰) and quartz-feldspar δ18O pairs that display extreme disequilibrium (feldspar δ18O values as low as -5‰) from the Ponder pluton, eastern CRB, and Hazelton Group point reveals that the major meteoric-hydrothermal system that affected these rocks was related to Eocene detachment faulting along the Shames Lake fault system, a

Geophysical constraints for terrane boundaries in southern Mongolia

Science.gov (United States)

Guy, Alexandra; Schulmann, Karel; Munschy, Marc; Miehe, Jean-Marc; Edel, Jean-Bernard; Lexa, Ondrej; Fairhead, Derek

2014-05-01

The Central Asian Orogenic Belt (CAOB) is a typical accretionary orogen divided into numerous lithostratigraphic terranes corresponding to magmatic arcs, back arcs, continental basement blocks, accretionary wedges and metamorphic blocks. These terranes should be in theory characterized by contrasting magnetic and gravity signatures thanks to their different petrophysical properties. To test this hypothesis, the stratigraphically defined terranes in southern Mongolia were compared with potential field data to constrain their boundaries and extent. The existence of terranes in southern Mongolia cannot be attested by the uniform geophysical fabrics due to the lack of systematic correspondence between the high/low amplitude and high/low frequency geophysical domains and major terranes. Processed magnetic and gravity grids show that both gravity and magnetic lineaments are E-W trending in the west and correlate with direction of some geological units. In the east, both magnetic and gravity lineaments are disrupted by NE-SW trending heterogeneities resulting in complete blurring of the geophysical pattern. Correlation of magnetic signal with geological map shows that the magnetic highs coincide with late Carboniferous-early Permian volcanic and plutonic belts. The matched-filtering shows good continuity of signal to the depth located along the boundaries of these high magnetic anomalies which may imply presence of deeply rooted tectono-magmatic zones. The axes of high density bodies in the western and central part of the studied CAOB are characterized by periodic alternations of NW-SE trending high frequency and high amplitude gravity anomalies corresponding to late Permian to Triassic cleavage fronts up to 20 km wide. The matched-filtering analysis shows that the largest deformation zones are deeply rooted down to 20 km depth. Such a gravity signal is explained by the verticalization of high density mantle and lower crustal rocks due to localized vertical shearing

Tectonic superposition of the Kurosegawa Terrane upon the Sanbagawa metamorphic belt in eastern Shikoku, southwest Japan

International Nuclear Information System (INIS)

Suzuki, Hisashi; Isozaki, Yukio; Itaya, Tetsumaru.

1990-01-01

Weakly metamorphosed pre-Cenozoic accretionary complex in the northern part of the Chichibu Belt in Kamikatsu Town, eastern Shikoku, consists of two distinct geologic units; the Northern Unit and Southern Unit. The Northern Unit is composed mainly of phyllitic pelites and basic tuff with allochthonous blocks of chert and limestone, and possesses mineral paragenesis of the glaucophane schist facies. The Southern Unit is composed mainly of phyllitic pelites with allochthonous blocks of sandstone, limestone, massive green rocks, and chert, and possesses mineral paragenesis of the pumpellyite-actinolite facies. The Southern Unit tectonically overlies the Northern Univ by the south-dipping Jiganji Fault. K-Ar ages were dated for the recrystallized white micas from 11 samples of pelites and basic tuff in the Northern Unit, and from 6 samples of pelites in the Southern Unit. The K-Ar ages of the samples from the Northern Unit range in 129-112 Ma, and those from the Southern Unit in 225-194 Ma. In terms of metamorphic ages, the Northern Unit and Southern Unit are referred to the constituents of the Sanbagawa Metamorphic Belt, and to those of the Kurosegawa Terrane, respectively. Thus, tectonic superposition of these two units in the study area suggests that the Kurosegawa Terrane occurs in a higher structural position over the Sanbagawa Metamorphic Belt in eastern Shikoku. (author)

Origin and tectonic evolution of early Paleozoic arc terranes abutting the northern margin of North China Craton

Science.gov (United States)

Zhou, Hao; Pei, Fu-Ping; Zhang, Ying; Zhou, Zhong-Biao; Xu, Wen-Liang; Wang, Zhi-Wei; Cao, Hua-Hua; Yang, Chuan

2017-12-01

The origin and tectonic evolution of the early Paleozoic arc terranes abutting the northern margin of the North China Craton (NCC) are widely debated. This paper presents detrital zircon U-Pb and Hf isotopic data of early Paleozoic strata in the Zhangjiatun arc terrane of central Jilin Province, northeast (NE) China, and compares them with the Bainaimiao and Jiangyu arc terranes abutting the northern margin of the NCC. Detrital zircons from early Paleozoic strata in three arc terranes exhibit comparable age groupings of 539-430, 1250-577, and 2800-1600 Ma. The Paleoproterozoic to Neoarchean ages and Hf isotopic composition of the detrital zircons imply the existence of the Precambrian fragments beneath the arc terranes. Given the evidences from geology, igneous rocks, and detrital zircons, we proposed that the early Paleozoic arc terranes abutting the northern margin of the NCC are a united arc terrane including the exotic Precambrian fragments, and these fragments shared a common evolutionary history from Neoproterozoic to early-middle Paleozoic.

Isotopic provenance analysis and terrane tectonics: a warning about sediment transport distances

International Nuclear Information System (INIS)

Bassett, K.N.

1999-01-01

Full text: In the last 10 years the field of provenance analysis has undergone a revolution with the development of single-crystal isotopic dating techniques, the most common being U/Pb zircon and 40Ar/39Ar techniques. These have allowed age determination of single crystals thus providing more detail about probable provenance of each individual grain rather than an averaged population of grains. The usefulness for resolving complex terrane accretion and translation histories was immediately obvious and there have been many studies in many different regions aimed at tracking terrane motions by provenance of individual grains upward through the stratigraphy of a basin. Recent research in the North American Cordilleran terranes and in the New Zealand Torlesse Superterrane show how widely used and powerful these provenance analysis techniques are. However, isotopic provenance analysis has often been presented as key information to resolve controversies around terrane translation histories with very little discussion of the context of sedimentary facies and sediment transport mechanisms. An example is the recent use of U/Pb detrital zircon ages as the supposedly controversy-ending evidence for the amount of lateral translation of the Insular Superterrane in British Columbia (Baja BC) (Mahoney et al., 1999). The zircon grains were separated from fine-grained turbidite deposits and could easily have been transported over very large distances by a variety of mechanisms; yet they were presented as definitively resolving the Baja BC controversy. Modern examples illustrate the problem of using the provenance of fine grained sediment to constrain terrane tectonics. Sediment in the tip of the Bengal submarine fan was transported ∼3000 km from source, first by fluvial processes then by sediment gravity flow in the submarine fan. The detrital isotopic ages of single grains are the same as the depositional ages indicating a very rapid unroofing and transport rate with minimal

Cebollati group, Nico Perez terrane: Definition and age

International Nuclear Information System (INIS)

Gaucher, C; Chemale, F.; Bossi, J.; Castiglioni, E.; Castiglioni, E.

2010-01-01

The Cebollati Group (Nico Perez Terrane) is formally erected in this work to include a meta sedimentary succession informally known as L as Teta s Complex . It is shown that the stratigraphy of the unit can be reconstructed at a number of sections between Minas and Zapicìn, using sedimentary structures and stromatolites as geo petal indicators. The basement of the group is represented by metamorphic rocks and granitoids of the La China Complex, for which a new U-Pb zircon age of 3.029 ± 54 Ma is presented. The Cebollatií Group comprises, from base to top, three formations: the Arroyo Ma lo Formation (sandstones and petites), Cerro de Valuable Formation (dolostones, partly stromatolitic, and p elites) and the Cerro del Diamant e Formation (p elites, BIF, quartz-pebble conglomerates and sandstones). The mean thickness of the Cebollatií Group is ca. 2 km, being greatest in the south and diminishing to the north. Available ages for the unit suggested a Neoarchean depositional age of 2.75 Ga. However, in this work 12 Nd model ages are presented for sedimentary rocks of the Cebollatí Group, which are mostly younger than 2.75 Ga, the youngest being 1.64 Ga. These ages call into question the Neoarchean age accepted for the unit, suggesting a Meso proterozoic depositional age. The evidence supporting both views is discussed in view of the new data. The minimum age of the Cebollatí Group is 1.3 Ga on the basis of carbon isotope ratios of dolostones and deformational ages consistently around 1.25 Ga

Petrography and geochronology (U/Pb-Sm/Nd) the Passagem Granite, Pensamiento Granitoid Complex, Paragua Terrane, SW Amazon Craton, Mato Grosso, Brazil; Petrologia e geocronologia (U/Pb-Sm/Nd) do Granito Passagem, Complexo Granitoide Pensamiento, SW do Craton Amazonico (MT)

Energy Technology Data Exchange (ETDEWEB)

Jesus, Gisely Carmo de, E-mail: giselycarmo@hotmail.co [Universidade Federal de Mato Grosso (ICET/UFMT), Cuiaba, MT (Brazil). Inst. de Ciencias Exatas e da Terra. Programa de Pos-Graduacao em Geociencias; Sousa, Maria Zelia Aguiar de, E-mail: mzaguiar@terra.com.b [Universidade Federal de Mato Grosso(ICET/UFMT), Cuiaba, MT (Brazil). Inst. de Ciencias Exatas e da Terra. Dept. de Recursos Minerais; Ruiz, Amarildo Salina; Matos, Joao Batista de, E-mail: asruiz@gmail.co, E-mail: jmatos@cpd.ufmt.b [Universidade Federal de Mato Grosso (ICET/UFMT), Cuiaba, MT (Brazil). Inst. de Ciencias Exatas e da Terra. Dept. de Geologia Geral

2010-09-15

The Passagem granite includes stocks, plugs and dikes located in the Ricardo Franco hill - Vila Bela da Santissima Trindade region - state of Mato Grosso, central Brazil. The Passagem Granite is included in the Paragua terrane - SW Amazonian Craton. It consists of isotropic monzogranite, sienogranite and more rarely granodiorites with leucocratic dark gray to white color. These rocks range from hypidomorphic inequigranular to xenomorphic texture, fine to medium grained. Biotite is the only primary mafic present as essential phase and characterize an expanded slightly acid sequence formed by a sub-alkaline magmatism of high-potassium calc-alkaline, slightly peraluminous composition from arc magmatic tectonic environment during a post-collisional period. Mechanism of fractional crystallization of plagioclase, biotite, titanite, apatite and zircon associated with simultaneous crustal assimilation are suggested for the evolution of these rocks. The results support the hypothesis of a post-collisional magmatism in the Paragua terrane at 1284 +- 20 Ma corresponding to the crystallization age of the Passagem granite. This paper propose that Passagem Granite represents as an extension in Brazilian terrane of the Pensamiento Granitoid Complex. (author)

Constraints of detrital zircon U-Pb ages and Hf isotopes on the provenance of the Triassic Yidun Group and tectonic evolution of the Yidun Terrane, Eastern Tibet

Science.gov (United States)

Wang, Bai-Qiu; Wang, Wei; Chen, Wei Terry; Gao, Jian-Feng; Zhao, Xin-Fu; Yan, Dan-Ping; Zhou, Mei-Fu

2013-05-01

Eastern Tibet to the west of the Yangtze Block consists of the Yidun and Songpan-Ganzi Terranes, separated by the Ganzi-Litang suture zone. The Yidun Terrane includes the Zhongza Massif to the west, but the eastern part of the Yidun terrane is covered by the Yidun Group extending from the south (Shangri-La region) to the north (Changtai region). The Yidun Group, from the base upward, includes the Lieyi, Qugasi, Tumugou and Lanashan formations, which are mainly composed of volcanic-flysch successions. Based on the ages of volcanic interlayers and plutonic intrusions, depositional ages of the Qugasi and Tumugou formations are considered to be slightly older than 230 Ma and ca. 220-230 Ma respectively, which are prominently older than the previous estimates. The Yidun Group in the Changtai region has two prominent detrital zircon age peaks at 400-480 and 880-980 Ma and a minor peak at 2.45-2.50 Ga. This pattern suggests a detritus source from the Zhongza Massif, which was a micro-continent separated from the western Yangtze Block. In contrast, the Yidun Group in the Shangri-La region has various zircon age spectra among different formations. The Qugasi Formation in this region has detrital zircon age patterns similar to the Yidun Group in the Changtai region. However, the overlying Tumugou Formation shows distinct age peaks at Triassic (220-240 Ma), Neoproterozoic (~ 720-880 Ma), and Paleoproterozoic (~ 1.75-1.90 Ga). This age pattern is similar to that of the Xikang Group of the Songpan-Ganzi Terrane to the east. The detrital zircon age difference between the Qugasi and Tumugou formations in this region indicates a transition of sedimentary sources from the Zhongza Massif to locally distributed Triassic magmatic rocks at ~ 230 Ma. It is thus suggested that the Songpan-Ganzi Terrane may have been connected to or collided with the southern part of the Yidun Terrane during the Late Triassic, whereas the Songpan-Ganzi Terrane and the northern part of the Yidun Terrane

Extended lanthanide-transition metal arrays with cyanide bridges: syntheses, structures, and catalytic applications

International Nuclear Information System (INIS)

Liu Shengming; Poplaukhin, Pavel; Ding Errun; Plecnik, Christine E.; Chen Xuenian; Keane, Mark A.; Shore, Sheldon G.

2006-01-01

Systematic synthetic procedures produced several different structural types of extended lanthanide-transition metal (group 10) complexes with cyanide bridges. Of these, one-dimensional ladder arrays containing a Yb-Pd combination have been converted to bimetallic heterogeneous catalysts on an oxide (SiO 2 ) surface that is more effective than supported Pd alone. Two lanthanide-Cu(I) complexes have been prepared. One type, an inclusion complex consists of lanthanide(III) cations encapsulated in the pockets of a three-dimensional anionic array that contains Cu(I)-CN-Cu(I) bridges. The second type, an extended layer complex, consists of joined five-membered rings in a 'tile-like' pattern with Ln-CN-Cu and Cu-CN-Cu bridges

Cordilleran metamorphic core complexes and their uranium favorability. Final report

International Nuclear Information System (INIS)

Coney, P.J.; Reynolds, S.J.

1980-11-01

The objective of this report is to provide a descriptive body of knowledge on Cordilleran metamorphic core complexes including their lithologic and structural characteristics, their distribution within the Cordillera, and their evolutionary history and tectonic setting. The occurrence of uranium in the context of possibility for uranium concentration is also examined. Chapter 1 is an overview of Cordilleran metamorphic core complexes which describes their physical characteristics, tectonic setting and geologic history. This overview is accompanied by a tectonic map. Chapter 2 is a discussion of the mantled gneiss dome concept. The purpose of including this work is to provide a basic history of this concept and to describe the characteristics and distribution of gneiss domes throughout the world to enable one to compare and contrast them with the metamorphic core complexes as discussed in this report. Some gneiss domes are known producers of uranium (as are also some core complexes). Chapter 3 is an examination of the effects of the core complex process on adjacent sedimentary and volcanic cover terranes. Also included is a discussion of the kinematic significance of these cover terranes as they are related to process within the cores of the complexes. Some of the cover terranes have uranium prospects in them. Chapter 4 is a detailed discussion of uranium in Cordilleran metamorphic core complexes and includes the conceptual basis for the various types of occurrences and the processes that might favor concentration of uranium. The report is supported by a 5-part Appendix. The majority of the core complexes discussed in this report either do not appear or are not recognizable on existing published geologic maps

Gravity signatures of terrane accretion

Science.gov (United States)

Franco, Heather; Abbott, Dallas

1999-01-01

In modern collisional environments, accreted terranes are bracketed by forearc gravity lows, a gravitational feature which results from the abandonment of the original trench and the initiation of a new trench seaward of the accreted terrane. The size and shape of the gravity low depends on the type of accreted feature and the strength of the formerly subducting plate. Along the Central American trench, the accretion of Gorgona Island caused a seaward trench jump of 48 to 66 km. The relict trench axes show up as gravity lows behind the trench with minimum values of -78 mgal (N of Gorgona) and -49 mgal (S of Gorgona) respectively. These forearc gravity lows have little or no topographic expression. The active trench immediately seaward of these forearc gravity lows has minimum gravity values of -59 mgal (N of Gorgona) and -58 mgal (S of Gorgona), respectively. In the north, the active trench has a less pronounced gravity low than the sediment covered forearc. In the Mariana arc, two Cretaceous seamounts have been accreted to the Eocene arc. The northern seamount is most likely a large block, the southern seamount may be a thrust slice. These more recent accretion events have produced modest forearc topographic and gravity lows in comparison with the topographic and gravity lows within the active trench. However, the minimum values of the Mariana forearc gravity lows are modest only by comparison to the Mariana Trench (-216 mgal); their absolute values are more negative than at Gorgona Island (-145 to -146 mgal). We speculate that the forearc gravity lows and seaward trench jumps near Gorgona Island were produced by the accretion of a hotspot island from a strong plate. The Mariana gravity lows and seaward trench jumps (or thrust slices) were the result of breaking a relatively weak plate close to the seamount edifice. These gravity lows resulting from accretion events should be preserved in older accreted terranes.

Geochronological and geochemical constraints on the origin of the Yunzhug ophiolite in the Shiquanhe-Yunzhug-Namu Tso ophiolite belt, Lhasa Terrane, Tibetan Plateau

Science.gov (United States)

Zeng, Yun-Chuan; Xu, Ji-Feng; Chen, Jian-Lin; Wang, Bao-Di; Kang, Zhi-Qiang; Huang, Feng

2018-02-01

The formation of the Shiquanhe-Yunzhug-Namu Tso ophiolite mélange zone (SNMZ) within the Lhasa Terrane, Tibetan Plateau, is key to understanding the Mesozoic tectonic evolution of this terrane, which remains controversial. We show that the Yunzhug ophiolite in the central segment of the SNMZ formed at 150 Ma, based on U-Pb dating of zircons from a gabbroic sample in a well-developed sheeted dike complex. Geochemically, these mafic rocks are dominated by E-MORB-type compositions, along with minor amounts of rocks with P-MORB-type compositions. The samples also exhibit high εNd(t) values and lack negative Nb and Ta anomalies. Data for all the samples plot within the MORB array on a Th/Yb-Nb/Yb diagram. Therefore, these mafic rocks most likely formed in either a slow spreading oceanic setting or an embryonic ocean, and not in a back-arc basin as has been previously assumed. Taking into account the regional geology, we propose that the Yunzhug ophiolite is part of a distinct ophiolitic belt and represents material formed in an embryonic ocean within the Lhasa Terrane, which provides new insights into the Jurassic tectonic evolution of the Lhasa Terrane.

The Atuba complex: a paleoproterozoic belt intensively reworked in the neoproterozoic era

International Nuclear Information System (INIS)

Siga Junior, O.; Basei, M.A.S.; Machiavelli, A.; Harara, O.M.; Reis Neto, J.M.

1996-01-01

Studies of terranes between the northern Ribeira and southern Dom Feliciano Belts allow the characterization of three geotectonic domains with different evolutions: the Luis Alves, Curitiba and Paranagua terranes. The Atuba complex occurs in Curitiba Domain, which has a northwestern limit with metasediments of the Acungui and Setuva Groups and a southwestern limit with the granulitic gneisses of the Luis Alves domains. The contacts are expressive shear zones. The predominant rocks of the Curitiba Domain are banded, migmatitic gneisses in amphibolite grade with biotite-amphibolite gneissic mesosomes and tonalitic/graodioritic leucosomes, here called the Atuba complex. The migmatites are Paleoproterozoic (2.000±200 Ma) and remigmatized in Neoproterozoic (600±20 Ma). During the latter period temperatures reached more than 500 0 C. The structural pattern indicated shear-controlled tectonics with an important lateral component, and low-angle, south-southeastward transport direction. The terranes of the Atuba complex appear to represent deep-level rocks which were migmatized, granitized and then added to the border of the Luis Alves Microplate during the Neoproterozoic. This late Neoproterozoic tectonic scheme which continued to the Cambro-Ordoviciano seems to be the result of larger scale processes of continental agglutination which ended with the formation of western Gondwanaland. (author). 17 figs., 2 tabs

Seismic signatures of the Pan-African orogeny: implications for southern Indian high-grade terranes

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Rai, Abhishek; Gaur, V. K.; Rai, S. S.; Priestley, K.

2009-02-01

We present the results of a study designed to investigate and compare the seismic characteristics of the once contiguous terranes of eastern Gondwanaland, now incorporated in five separated continental masses, which, during the Neoproterozoic (~600Ma) Pan-African orogeny, suffered a high degree of thermal stress and deformation. Receiver functions and surface wave data from stations located in East Antarctica, Sri Lanka, the southern-Indian high-grade terranes, Madagascar and the Tanzania-Mozambique belt, were used to determine the shear-wave velocity structure, Moho depth and VP/VS values of the respective crustal segments. This study provides an additional dimension to the otherwise well-documented characteristic petrology of their surface exposures and other geological signatures such as their extensive granulitization and gem formation during the Pan-African event. Analysis of the receiver functions and surface wave data for these seismic stations located on their present day widely distributed continental fragments have been made. It is observed that with the exception of KOD (at Kodaikanal hill), situated on the southern Indian granulites having the thickest crust (~43.5 km), most of the Pan-African granulitic terranes have a crustal thicknesses of ~37 +/- 0.8km, with a transition to higher velocity at mid-crustal depths, and that their bulk composition is felsic. Average crustal VP/VS values (1.704 +/- 0.03) and thicknesses (37.8 +/- 0.8km), for four stations (SYO, PALK, TRV and ABPO), now located in East Antarctica, Sri Lanka, India and Madagascar, respectively, show remarkable similarity, indicating that the Pan-African orogeny was extensive enough to reorder the crustal structure of a wide region with a broadly similar stamp.

The Apuseni Mountains, Romania, a Variscan Collage of Ordovician Gondwanan Terranes

Science.gov (United States)

Balintoni, I. C.; Balica, C.; Zaharia, L.; Chen, F.; Cliveti, M.; Hann, H. P.; Ghergari, L.

2007-12-01

The basement of the Apuseni Mountains, Romania, consists of three pre-Variscan terranes, sutured during an Early Variscan amalgamation around 351 Ma (Balintoni et al., this volume). The northern Someş Terrane (ST) is predominantly gneissic, while the southern Baia de Arieş Terrane (BAT) is dominated by the presence of large carbonate lenses, although metagranites and other types of orthogneisses can be found. These two terranes are sutured through the Biharia terrane, probably an accreted island arc. LA-ICP-MS datings on zircons extracted from orthogneisses and metagranites were performed in order to constrain the age of ST and BAT. A number of previously CL-imaged crystals were ablated at the China's University of Geosciences, Wuhan. From ST we dated an orthogneiss occurring in structurally lowermost position, a metatuff situated in the upper strongly retrogressed part and a twenty detrital crystal population sampled from a metasandstone. The 206Pb/238U apparent ages were projected using the weighted average plots.A magmatic crystallization age of 472.8±5.0 Ma (Upper Early Ordovician) resulted for one of the orthogneiss samples, besides several older ages at 505.7, 566.3 and 708.2 Ma corresponding to inherited cores. Another sample from the same rock appeared strongly affected by lead loss during a later thermotectonic event, most of the apparent ages grouping around 352±14 Ma. This age is similar with the age of the suture between ST and BT (Balintoni et al., this volume). The main zircon population of one metatuff sample furnished an averaged age of 423±7.2 Ma, also found in two additional samples, but their significance is obscure for the moment. Two primary magmatic ages arise at 464.2 and 473.8 Ma, an older value of 758.7 Ma corresponding to an inherited core. Detrital zircon ages range between 534.8 and 2596.8 Ma. The younger value represents an upper age constraint for the protolith age of ST-rocks. From BAT we dated the Lupşa metaporphyroid and the

Discrete symmetries and the complex structure of Calabi-Yau manifolds

International Nuclear Information System (INIS)

Ross, G.G.

1988-01-01

We show how the discrete symmetries, which may be present after Calabi-Yau compactification for specific choices of the complex structure, extend to the h 2,1 moduli - the scalar fields whose vacuum expectation values determine the complex structure. This allows us to determine much about the coupling of the moduli and hence the energetically favoured complex structure. The discrete symmetry transformation properties of the moduli are worked out in detail for a three-generation Calabi-Yau model and it is shown how minimization of the effective potential involving these fields selects the complex structure which leaves unbroken a set of discrete symmetries. The phenomenological implications of the symmetries are briefly discussed. (orig.)

Distribution and Diversity of Carboniferous and Permian Colonial Rugose Coral Faunas in Western North America: Clues for Placement of Allochthonous Terranes

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Calvin H. Stevens

2012-05-01

Full Text Available Colonial rugose corals are common in western cratonal North America and in some of the allochthonous terranes, now amalgamated against its western margin. Throughout the Late Paleozoic, the coral faunas in these two different settings were significantly different. Comparisons of these faunas suggest that during the Mississippian the Alexander terrane probably was southwest of Arctic Alaska and the Stikine terrane probably lay west of the southern part of the North American craton. The Cache Creek terrane lay far out in the Paleopacific Ocean. The Pennsylvanian faunas suggest that the Quesnellia and Eastern Klamath terranes were situated southwest of Arctic Alaska and the Alexander terrane was somewhat farther southwest and farther from cratonal North America. The Stikine terrane continued to be positioned west of the southern part of the North American craton. During the Early Permian, terranes with a cratonal faunal aspect may have lain 2000–3000 km west of cratonal North America and latitudinally generally southwest of their present positions. In the Middle Permian these terranes were carried southward relative to the North American craton. Simultaneously the Tethyan Realm expanded eastward.

U-Pb detrital zircon geochronology from the basement of the Central Qilian Terrane: implications for tectonic evolution of northeastern Tibetan Plateau

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Liu, Changfeng; Wu, Chen; Zhou, Zhiguang; Yan, Zhu; Jiang, Tian; Song, Zhijie; Liu, Wencan; Yang, Xin; Zhang, Hongyuan

2018-03-01

The Tuolai Group dominates the Central Qilian Terrane, and there are different opinions on the age and tectonic attribute of the Tuolai Group. Based on large-scale geologic mapping and zircon dating, the Tuolai Group is divided into four parts: metamorphic supracrustal rocks, Neoproterozoic acid intrusive rocks, early-middle Ordovician acid intrusive rocks and middle Ordovician basic intrusive rocks. The metamorphic supracrustal rocks are the redefined Tuolai complex-group and include gneiss and schist assemblage by faulting contact. Zircon U-Pb LA-MC-ICP-MS dating was conducted on these samples of gneiss and migmatite from the gneiss assemblage, quartzite, two-mica schist and slate from the schist assemblage. The five detrital samples possess similar age spectra; have detrital zircon U-Pb main peak ages of 1.7 Ga with youngest U-Pb ages of 1150 Ma. They are intruded by Neoproterozoic acid intrusive rocks. Therefore, the Tuolai Group belonging to late Mesoproterozoic and early Neoproterozoic. With this caveat in mind, we believe that U-Pb detrital zircon dating, together with the geologic constraints obtained from this study and early work in the neighboring regions. We suggest that the formation age of the entire crystalline basement rocks of metasedimentary sequence from the Central Qilian Terrane should be constrained between the Late Mesoproterozoic and the Late Neoproterozoic, but not the previous Paleoproterozoic. The basement of the Central Qilian Terrane contains the typical Grenville ages, which indicates the Centre Qilian Terrane have been experienced the Grenville orogeny event.

A tectonic reconstruction of accreted terranes along the paleo-Pacific margin of Gondwana

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Bammel, Brandon

The southern oceanic margin of Gondwana was nearly 40,000 km long or 24,854.8 miles. The southern margin was the result of the Terra Australis orogen. Spanning 18,000 km or 11,184.7 miles and is proposed as one of the largest and longest lived orogens in Earth history. The paleo-Pacific margin of Gondwana consisted of segments of the Australian-Antarctic craton, southern South America (modern Argentina and Chile), southern South Africa, Marie Byrdland, New Zealand and its adjacent continental shelf, the Ellsworth Mountains, and the Transantarctic Mountains. The process of terrane accretion has played a substantial part in the assembly of the continents as they look today. The paleo-Pacific margin of Gondwana was an active region of terrane accretion from the Neoproterozoic to the Late Mesozoic. This research study examines the accretion of terranes across the paleo-Pacific Gondwana margin to provide a comprehensive reconstruction. A paleogeographic basemap was created using PALEOMAP Project maps and the geology data was provided by the School of Geoscience from the University of Witwatersrand of South Africa. Location and data analyzed for terranes were collected building a PDF library of journal articles across numerous geological publications.

The Role of Coulomb Interactions for Spin Crossover Behaviors and Crystal Structural Transformation in Novel Anionic Fe(III Complexes from a π-Extended ONO Ligand

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Suguru Murata

2016-05-01

Full Text Available To investigate the π-extension effect on an unusual negative-charged spin crossover (SCO FeIII complex with a weak N2O4 first coordination sphere, we designed and synthesized a series of anionic FeIII complexes from a π-extended naphthalene derivative ligand. Acetonitrile-solvate tetramethylammonium (TMA salt 1 exhibited an SCO conversion, while acetone-solvate TMA salt 2 was in a high-spin state. The crystal structural analysis for 2 revealed that two-leg ladder-like cation-anion arrays derived from π-stacking interactions between π-ligands of the FeIII complex anion and Coulomb interactions were found and the solvated acetone molecules were in one-dimensional channels between the cation-anion arrays. A desolvation-induced single-crystal-to-single-crystal transformation to desolvate compound 2’ may be driven by Coulomb energy gain. Furthermore, the structural comparison between quasi-polymorphic compounds 1 and 2 revealed that the synergy between Coulomb and π-stacking interactions induces a significant distortion of coordination structure of 2.

Geophysical evidence for an extensive Pie de Palo Complex mafic-ultramafic belt, San Juan, Argentina

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Chernicoff, Carlos J.; Vujovich, Graciela I.; van Staal, Cees R.

2009-12-01

The recent completion of a high-resolution aeromagnetic survey over the Pie de Palo uplift of the western Sierras Pampeanas has revealed an area of large magnetic anomalies associated with the Pie de Palo Complex. The Las Pirquitas thrust, which has transported and uplifted the Pie de Palo Complex, is recognized for at least 30 km in a roughly NE direction along the western boundary of the Pie de Palo Complex, beyond its limited outcrop. The type of sediments of the Caucete Group in the footwall of the Las Pirquitas thrust, which are regarded as the leading edge of the Precordillera terrane, are associated with much less pronounced magnetic anomalies. In addition, a conspicuous, NNE trending, broad magnetic high stands out in the survey, several kilometers to the east of the main outcrops of the Pie de Palo Complex; this broad magnetic anomaly bisects the Pie de Palo basement block, and continues further south at least as far as 32°S, the southern boundary of the latest aeromagnetic survey. This magnetic anomaly is interpreted to represent a structure corresponding to the Grenvillian Precordillera-Pie de Palo tectonic boundary zone, and would comprise the buried largest part of the mafic-ultramafic belt. The geophysical model of the magnetic data indicates that the boundary zone dips to the east, possibly suggesting the existence of a set of synthetic east dipping, west-verging thrusts, of which only one major structure (Las Pirquitas thrust) is exposed; the possibility of other slivers of upthrust boundary zone material cannot be excluded. It is considered that the Pie de Palo Complex represents a small sliver upthrust from the unexposed boundary zone material (containing highly magnetic mafic-ultramafic rocks). The east-dipping, west verging structures associated with the Pie de Palo Complex are suggested to represent an Ordovician reactivation of a Grenvillian suture zone developed when the Precordillera basement and Pie de Palo terrane docked; this

The tectono-magmatic evolution of the occidental terrane and the Paraiba do Sul Klippe within the Neoproterozoic Ribeira orogenic Belt, Southeastern Brazil

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Valladares, Claudia Sayao; Duarte, Beatriz Paschoal; Heilbron, Monica; Ragatky, Diana

2000-01-01

The occidental Terrane is envisaged as the eastern/southeastern reworked margin of the Sao Francisco/Rio de la Plata plate associated with and E-trending subduction under the Congo plate. The Paraiba do Sul Klippe is part of the Oriental Terrane, envisaged as a portion of the Congo plate. A collisional-stage resulted in intense westward deformation of the Occidental Terrane under intermediate pressure metamorphism (syn-D1+D2 events). A late-collisional stage resulted in subvertical folding and steep shear zones (D3 event). Both stages were associated with voluminous crustal-derived granites. U-Pb and Sm-Nd geochronology as well as geochemical and structural data point to three magmatic episodes: a syn-collisional stage 1; a syn-collisional stage 2; and a late-collisional stage. This paper presents a magmatic evolutionary model for this crustal segment of the Ribeira orogenic belt based on new geological data of Brasiliano granites and data available in the literature. (author)

Gravity and magnetic survey of the Oaxaca city region: Cenozoic horst-and-graben structure superimposed on the Oaxaca-Juarez terrane boundary, southern Mexico

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Campos-Enríquez, J. O.; Belmonte-Jiménez, S. I.; Keppie, J. D.; Ortega-Gutiérrez, F.; Arzate, J. A.; Martínez-Silva, J.; Martínez-Serrano, R. G.

2010-04-01

A geophysical survey of the Oaxaca Fault along the north-trending Etla and Zaachila valleys area, southern Mexico, shows a series of NNW-SSE Bouguer and magnetic anomalies with steeper gradients towards the east. The Oaxaca Fault represents Tertiary extensional reactivation of the Juarez shear zone that constitutes the boundary between the Oaxaca and Juárez terranes. Cooperative interpretation of six combined gravity and magnetic NE-SW profiles perpendicular to the valleys indicates the presence of a composite depression comprising three N-S sub-basins: the northern Etla and southern Zaachila sub-basins separated by the Atzompa sub-basin. The Etla sub-basin is bounded by the moderately E-dipping, Etla Fault and the more steeply W-dipping Oaxaca Fault, which together constitute a graben that continues southwards into the Atzompa graben. The deeper Zaachila sub-basin, south of Oaxaca city, is a wide V-shaped graben with a horst in the middle. The new geophysical data suggest that the Oaxaca-Juarez terrane boundary is displaced sinistrally ca. 20 km along the E-W Donají Fault, which defines the northern boundary of the Zaachila sub-basin. On the other hand, the Oaxaca Fault may either continue unbroken southwards along the western margin of the horst in the Zaachila sub-basin or be offset along with the terrane boundary. The sinistral movement may have taken place either during the Late Mesozoic-Early Cenozoic, Laramide Orogeny as a lateral ramp in the thrust plane or under Miocene-Pliocene, NE-SW extension. The former suggests that the Donají Fault is a transcurrent fault, whereas the latter implies that it is a transfer fault. The models imply that originally the suture was continuous south of the Donaji Fault and provide a constraint for the accretion of the Oaxaca and Juarez terranes.

The Khida terrane - Geology of Paleoproterozoic rocks in the Muhayil area, eastern Arabian Shield, Saudi Arabia

Science.gov (United States)

Stoeser, D.B.; Whitehouse, M.J.; Stacey, J.S.

2001-01-01

The bulk of the Arabian Shield of Saudi Arabia is underlain by Neoproterozoic terranes of oceanic affinity that were accreted during Pan-African time (about 680- 640Ma). Geologicalmappingandisotopicinvestigations during the 1980’s,however, provided the first evidence for Paleoproterozoic continental crust within the east- central part of the shield in Saudi Arabia. These studies delineated an older basement domain, herein referred to as the Khida terrane (Fig. l), which is defined as that part of the southern Afif composite terrane underlain by Paleoproterozoicto Archean continental crust (Stoeser and Stacey, 1988). The isotopic and geochronologic work to support our current studies within the Khida terrane are discussed in a companion abstract (Whitehouse et al., this volume). The regional geology and geochronology of the region has been summarized in detail by Johnson (1996). The current study is based on the continued use of samples previously collected in the Khida area by the authors and others as well as new field work conducted by us in 1999. This work further defines the occurrence of late Paleoproterozoic rocks at Jabal Muhayil, which is located at the eastern margin of the exposed terrane (Fig. 1). Our isotopic work is at an early stage and this abstract partly relates geologic problems that remain to be resolved. 

Relationships between the Brook Street Terrane and Median Tectonic Zone (Median Batholith) : evidence from Jurassic conglomerates

International Nuclear Information System (INIS)

Tulloch, A.J.; Kimbrough, D.L.; Landis, C.A.; Mortimer, N.; Johnston, M.R.

1999-01-01

U-Pb zircon ages of 237-180 Ma and c. 280 Ma of seven granitoid clasts from the Rainy River Conglomerate which lies within the eastern Median Tectonic Zone (Median Batholith) in Nelson, and the Barretts Formation of the Brook Street Terrane in Southland, constrain the depositional ages of both units to be no older than c. 180-200 Ma (Early Jurassic). The minimum age of the Rainy River Conglomerate is constrained by the 147 +2 -1 Ma (Latest Jurassic) emplacement age of the One Mile Gabbronorite (new name: previously western Buller Diorite). The ages and chemistry of five of the granitoid clasts are broadly compatible with derivation from rocks that are now represented by Triassic plutons of the Median Tectonic Zone (Median Batholith), although ages as young as 180 Ma are slightly outside the range of the latter as currently exposed in New Zealand. The age (273-290 Ma, 237 +/- 3 Ma) and chemistry of the other two clasts (one each from Rainy River Conglomerate and Barretts Formation) suggest derivation from the Brook Street Terrane. Similarity in stratigraphic age, depositional characteristics, granitoid clast ages and composition between Rainy River Conglomerate and Barretts Formation suggests that they are broadly correlative and collectively overlapped a combined Brook Street Terrane - Median Batholith (MTZ) before the Late Jurassic (147 +2 -1 Ma). Sedimentary overlap may also have continued across to Middle Jurassic conglomeratic strata in the Murihiku Terrane to the east of the Brook Street Terrane. A U-Pb zircon age of 261 +/- 2 Ma is reported for Pourakino Trondhjemite of the Brook Street Terrane. (author). 56 refs., 10 figs., 4 tabs

Gamma-ray spectrometry of granitic suites of the Paranaguá Terrane, Southern Brazil

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Weihermann, Jessica Derkacz; Ferreira, Francisco José Fonseca; Cury, Leonardo Fadel; da Silveira, Claudinei Taborda

2016-09-01

The Paranaguá Terrane, located in the coastal portion of the states of Santa Catarina, Paraná and São Paulo in Southern Brazil is a crustal segment constituted mainly by an igneous complex, with a variety of granitic rocks inserted into the Serra do Mar ridge. The average altitude is approximately 1200 m above sea level, with peaks of up to 1800 m. Due to the difficulty of accessing the area, a shortage of outcrops and the thick weathering mantle, this terrane is understudied. This research aims to evaluate the gamma-ray spectrometry data of the granitic suites of the Paranaguá Terrane, in correspondence with the geological, petrographical, lithogeochemical, relief and mass movement information available in the literature. Aerogeophysical data were acquired along north-south lines spaced at 500 m, with a mean terrain clearance of 100 m. These data cover potassium (K, %), equivalent in thorium (eTh, ppm) and equivalent in uranium (eU, ppm). After performing a critical analysis of the data, basic (K, eU, eTh) and ternary (R-K/G-eTh/B-eU) maps were generated and then superimposed on the digital elevation model (DEM). The investigation of the radionuclide mobility across the relief and weathering mantle consisted of an analysis of the schematic profiles of elevation related with each radionuclide; a comparison of the K, eU and eTh maps with their 3D correspondents; and the study of mass movements registered in the region. A statistical comparison of lithogeochemical (K, U, Th) and geophysical (K, eU, eTh) data showed consistency in all the granitic suites studied (Morro Inglês, Rio do Poço and Canavieiras-Estrela). Through gamma-ray spectrometry, it was possible to establish relationships between scars (from mass movements) and the gamma-ray responses as well as the radionuclide mobility and the relief and to map the granitic bodies.

Information structure and reference tracking in complex sentences

CERN Document Server

Gijn, Rik van; Matic, Dejan

2014-01-01

This paper discusses argument marking and reference tracking in Mekens complex clauses and their correlation to information structure. The distribution of pronominal arguments in Mekens simple clauses follows an absolutive pattern with main verbs. Complex clauses maintain the morphological absolutive argument marking, but show a nominative pattern with respect to argument reference tracking, since transitive and intransitive subjects function as syntactic pivots. The language extends the use of argument-marking verb morphology to control the reference of discourse participants across clauses.

The Athabasca Granulite Terrane and Evidence for Dynamic Behavior of Lower Continental Crust

Science.gov (United States)

Dumond, Gregory; Williams, Michael L.; Regan, Sean P.

2018-05-01

Deeply exhumed granulite terranes have long been considered nonrepresentative of lower continental crust largely because their bulk compositions do not match the lower crustal xenolith record. A paradigm shift in our understanding of deep crust has since occurred with new evidence for a more felsic and compositionally heterogeneous lower crust than previously recognized. The >20,000-km2 Athabasca granulite terrane locally provides a >700-Myr-old window into this type of lower crust, prior to being exhumed and uplifted to the surface between 1.9 and 1.7 Ga. We review over 20 years of research on this terrane with an emphasis on what these findings may tell us about the origin and behavior of lower continental crust, in general, in addition to placing constraints on the tectonic evolution of the western Canadian Shield between 2.6 and 1.7 Ga. The results reveal a dynamic lower continental crust that evolved compositionally and rheologically with time.

Transcription initiation complex structures elucidate DNA opening.

Science.gov (United States)

Plaschka, C; Hantsche, M; Dienemann, C; Burzinski, C; Plitzko, J; Cramer, P

2016-05-19

Transcription of eukaryotic protein-coding genes begins with assembly of the RNA polymerase (Pol) II initiation complex and promoter DNA opening. Here we report cryo-electron microscopy (cryo-EM) structures of yeast initiation complexes containing closed and open DNA at resolutions of 8.8 Å and 3.6 Å, respectively. DNA is positioned and retained over the Pol II cleft by a network of interactions between the TATA-box-binding protein TBP and transcription factors TFIIA, TFIIB, TFIIE, and TFIIF. DNA opening occurs around the tip of the Pol II clamp and the TFIIE 'extended winged helix' domain, and can occur in the absence of TFIIH. Loading of the DNA template strand into the active centre may be facilitated by movements of obstructing protein elements triggered by allosteric binding of the TFIIE 'E-ribbon' domain. The results suggest a unified model for transcription initiation with a key event, the trapping of open promoter DNA by extended protein-protein and protein-DNA contacts.

Low palaeoelevation of the northern Lhasa terrane during late Eocene: Fossil foraminifera and stable isotope evidence from the Gerze Basin.

Science.gov (United States)

Wei, Yi; Zhang, Kexin; Garzione, Carmala N; Xu, Yadong; Song, Bowen; Ji, Junliang

2016-06-08

The Lhasa terrane is a key region for understanding the paleoelevation of the southern Tibetan Plateau after India-Asia collision. The Gerze Basin, located in the northern part of the Lhasa terrane, is a shortening-related basin. We discovered Lagena laevis (Bandy) fossils in upper Eocene strata of the Gerze Basin. This type of foraminifera is associated with lagoon and estuarine environments, indicating that the northern part of the Lhasa terrane was near sea level during the late Eocene. We speculate that these foraminifera were transported inland by storm surges to low elevation freshwater lakes during times of marine transgressions. This inference is consistent with the relatively positive δ(18)O values in carbonate from the same deposits that indicate low palaeoelevations close to sea level. Considering the palaeoelevation results from the nearby Oligocene basins at a similar latitude and the volcanic history of the Lhasa terrane, we infer that large-magnitude surface uplift of the northern Lhasa terrane occurred between late Eocene and late Oligocene time.

A folding algorithm for extended RNA secondary structures.

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Höner zu Siederdissen, Christian; Bernhart, Stephan H; Stadler, Peter F; Hofacker, Ivo L

2011-07-01

RNA secondary structure contains many non-canonical base pairs of different pair families. Successful prediction of these structural features leads to improved secondary structures with applications in tertiary structure prediction and simultaneous folding and alignment. We present a theoretical model capturing both RNA pair families and extended secondary structure motifs with shared nucleotides using 2-diagrams. We accompany this model with a number of programs for parameter optimization and structure prediction. All sources (optimization routines, RNA folding, RNA evaluation, extended secondary structure visualization) are published under the GPLv3 and available at www.tbi.univie.ac.at/software/rnawolf/.

The Cannery Formation--Devonian to Early Permian arc-marginal deposits within the Alexander Terrane, Southeastern Alaska

Science.gov (United States)

Karl, Susan M.; Layer, Paul W.; Harris, Anita G.; Haeussler, Peter J.; Murchey, Benita L.

2011-01-01

cherts on both Admiralty and Kupreanof Islands contain radiolarians as young as Permian, the age of the Cannery Formation is herein extended to Late Devonian through early Permian, to include the early Permian rocks exposed in its type locality. The Cannery Formation is folded and faulted, and its stratigraphic thickness is unknown but inferred to be several hundred meters. The Cannery Formation represents an extended period of marine deposition in moderately deep water, with slow rates of deposition and limited clastic input during Devonian through Pennsylvanian time and increasing argillaceous, volcaniclastic, and bioclastic input during the Permian. The Cannery Formation comprises upper Paleozoic rocks in the Alexander terrane of southeastern Alaska. In the pre-Permian upper Paleozoic, the tectonic setting of the Alexander terrane consisted of two or more evolved oceanic arcs. The lower Permian section is represented by a distinctive suite of rocks in the Alexander terrane, which includes sedimentary and volcanic rocks containing early Permian fossils, metamorphosed rocks with early Permian cooling ages, and intrusive rocks with early Permian cooling ages, that form discrete northwest-trending belts. After restoration of 180 km of dextral displacement of the Chilkat-Chichagof block on the Chatham Strait Fault, these belts consist, from northeast to southwest, of (1) bedded chert, siliceous argillite, volcaniclastic turbidites, pillow basalt, and limestone of the Cannery Formation and the Porcupine Slate of Gilbert and others (1987); (2) greenschist-facies Paleozoic metasedimentary and metavolcanic rocks that have Permian cooling ages; (3) silty limestone and calcareous argillite interbedded with pillow basalt and volcaniclastic rocks of the Halleck Formation and the William Henry Bay area; and (4) intermediate-composition and syenitic plutons. These belts correspond to components of an accretionary complex, contemporary metamorphic rocks, forearc-basin deposits,

The Atuba complex: a paleoproterozoic belt intensively reworked in the neoproterozoic era; O complexo Atuba: um cinturao paleoproterozoico intensamente retrabalhado no neoproterozoico

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Siga Junior, O.; Basei, M.A.S.; Machiavelli, A.; Harara, O.M. [Sao Paulo Univ., SP (Brazil). Inst. de Geociencias; Reis Neto, J.M. [Parana Univ., Curitiba, PR (Brazil). Dept. de Geologia

1996-11-01

Studies of terranes between the northern Ribeira and southern Dom Feliciano Belts allow the characterization of three geotectonic domains with different evolutions: the Luis Alves, Curitiba and Paranagua terranes. The Atuba complex occurs in Curitiba Domain, which has a northwestern limit with metasediments of the Acungui and Setuva Groups and a southwestern limit with the granulitic gneisses of the Luis Alves domains. The contacts are expressive shear zones. The predominant rocks of the Curitiba Domain are banded, migmatitic gneisses in amphibolite grade with biotite-amphibolite gneissic mesosomes and tonalitic/graodioritic leucosomes, here called the Atuba complex. The migmatites are Paleoproterozoic (2.000{+-}200 Ma) and remigmatized in Neoproterozoic (600{+-}20 Ma). During the latter period temperatures reached more than 500{sup 0} C. The structural pattern indicated shear-controlled tectonics with an important lateral component, and low-angle, south-southeastward transport direction. The terranes of the Atuba complex appear to represent deep-level rocks which were migmatized, granitized and then added to the border of the Luis Alves Microplate during the Neoproterozoic. This late Neoproterozoic tectonic scheme which continued to the Cambro-Ordoviciano seems to be the result of larger scale processes of continental agglutination which ended with the formation of western Gondwanaland. (author). 17 figs., 2 tabs.

Core Mediator structure at 3.4 Å extends model of transcription initiation complex.

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Nozawa, Kayo; Schneider, Thomas R; Cramer, Patrick

2017-05-11

Mediator is a multiprotein co-activator that binds the transcription pre-initiation complex (PIC) and regulates RNA polymerase (Pol) II. The Mediator head and middle modules form the essential core Mediator (cMed), whereas the tail and kinase modules play regulatory roles. The architecture of Mediator and its position on the PIC are known, but atomic details are limited to Mediator subcomplexes. Here we report the crystal structure of the 15-subunit cMed from Schizosaccharomyces pombe at 3.4 Å resolution. The structure shows an unaltered head module, and reveals the intricate middle module, which we show is globally required for transcription. Sites of known Mediator mutations cluster at the interface between the head and middle modules, and in terminal regions of the head subunits Med6 (ref. 16) and Med17 (ref. 17) that tether the middle module. The structure led to a model for Saccharomyces cerevisiae cMed that could be combined with the 3.6 Å cryo-electron microscopy structure of the core PIC (cPIC). The resulting atomic model of the cPIC-cMed complex informs on interactions of the submodules forming the middle module, called beam, knob, plank, connector, and hook. The hook is flexibly linked to Mediator by a conserved hinge and contacts the transcription initiation factor IIH (TFIIH) kinase that phosphorylates the carboxy (C)-terminal domain (CTD) of Pol II and was recently positioned on the PIC. The hook also contains residues that crosslink to the CTD and reside in a previously described cradle. These results provide a framework for understanding Mediator function, including its role in stimulating CTD phosphorylation by TFIIH.

The Thermal Structure and Strength of Cratons and their Margins

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Jaupart, C. P.; Mareschal, J. C.

2015-12-01

The large cratons of today are made of younger terranes that wrap around older cores. Deformation due to accretion did not proceed in homogeneous fashion and was concentrated in the younger belts. This is illustrated clearly in the Archean Superior Province, Canada. In this area, one observes little imbrication of accreted crust and craton core, in contrast to the laterally extensive thrusting that has affected the younger terranes to the South. The boundary between the craton core and accreted belts is a nearly vertical interface delineated by steeply dipping electrical and seismic anomalies extending to the base of the lithosphere. These steeply dipping structures have been interpreted as relicts of the subduction that drove accretion. By contrast, the sub-crustal subduction remnant that is imaged beneath younger terranes to the south shows up as a moderately dipping (≈30°) structure. These observations suggest a stiff craton surrounded by weaker belts. This strength contrast may have affected later events, such as the Keweenawan rifing, which propagated northward through the accreted terranes but stopped short of impinging the craton core. In the Superior Province, crustal heat production is much higher in the accreted terranes than in the craton core, implying higher temperatures and lower mechanical strength. Such a remarkable dichotomy also exists in South Africa, where the Limpopo and Namaqua belts are characterized by higher heat flux and crustal heat production than the adjacent Archean Kaapvaal and Zimbabwe cratons. The generality of this cannot be assessed on the basis of heat flow and heat production data which are scarce in most other cratons. These cratons, however, are characterized by post-orogenic high temperature metamorphism which is best explained by high crustal heat production. This is true, for example, for the Jimperding metamorphic belt at the edge of the Yilgarn craton, Western Australia. Thus, cratons appear to be surrounded, and

Structural Analysis of Extended Plasma Focus Chamber

International Nuclear Information System (INIS)

Mohd Azhar Ahmad; Abdul Halim Baijan; Siti Aiasah Hashim

2016-01-01

Accelerator Development Centre (ADC) of Nuclear Malaysia intends to upgrade the plasma focus device. It involves the extension part placed on top of the existing plasma focus vacuum chamber. This extended vacuum chamber purposely to give an extra space in conducting experiments on the existing plasma focus chamber. The aim of upgrading the plasma focus device is to solve the limitation in research and analysis of sample due to its done in an open system that cause analysis of samples is limited and less optimal. This extended chamber was design in considering the ease of fabrication as well as durability of its structural. Thus, this paper discusses the structural analysis in term of pressure loading effect in extended chamber. (author)

High resolution crustal structure for the region between the Chilenia and Cuyania terrane above the Pampean flat slab of Argentina from local receiver function and petrological analyses

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Ammirati, J. B.; Alvarado, P. M.; Pérez, S. B.; Beck, S. L.; Porter, R. C.; Zandt, G.

2015-12-01

Jean-Baptiste Ammirati 1,Sofía Perez 1, Patricia Alvarado 1, Susan L. Beck 2, Ryan Porter 3 and George Zandt 2(1) CIGEOBIO-CONICET, Universidad Nacional de San Juan, Argentina (2) The University of Arizona, USA (3) Northern Arizona University, USA At ~31ºS, The subduction of the Nazca plate under the South American plate presents along-strike variations of its dip angle referred to the Chilean-Pampean flat slab. Geological observations suggest that the regional crustal structure is inherited from the accretion of different terranes at Ordovician times and later reactivated during Andean compression since Miocene. Geophysical observations confirmed that the structure is extending in depth with décollement levels that accommodate crustal shortening in the region. In order to get a better insight on the shallow tectonics we computed high frequency local receiver functions from slab seismicity (~100 km depth). Local earthquakes present a higher frequency content that permits a better vertical resolution. Using a common conversion point (CCP) stacking method we obtained cross sections showing high-resolution crustal structure in the western part of the Pampean flat slab region, at the transition between the Precordillera and the Frontal Cordillera. Our results show a well-defined structure and their lateral extent for both units down to 80 km depth. In good agreement with previous studies, our higher resolution images better identify very shallow discontinuities putting more constraints on the relationships with the regional structural geology. Recent petrological analyses combined with RF high-resolution structure also allow us to better understand the regional crustal composition. Interestingly, we are able to observe a shifting structure beneath the Uspallata-Calingasta Valley, highlighting the differences in terms of crustal structure between the Precordillera and the Frontal Cordillera. Previously determined focal mechanisms in the region match well this

Structure and development of old-growth, unmanaged second-growth, and extended rotation Pinus resinosa forests in Minnesota, USA

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Silver, Emily J.; D'Amato, Anthony W.; Fraver, Shawn; Palik, Brian J.; Bradford, John B.

2013-01-01

The structure and developmental dynamics of old-growth forests often serve as important baselines for restoration prescriptions aimed at promoting more complex structural conditions in managed forest landscapes. Nonetheless, long-term information on natural patterns of development is rare for many commercially important and ecologically widespread forest types. Moreover, the effectiveness of approaches recommended for restoring old-growth structural conditions to managed forests, such as the application of extended rotation forestry, has been little studied. This study uses several long-term datasets from old growth, extended rotation, and unmanaged second growth Pinus resinosa (red pine) forests in northern Minnesota, USA, to quantify the range of variation in structural conditions for this forest type and to evaluate the effectiveness of extended rotation forestry at promoting the development of late-successional structural conditions. Long-term tree population data from permanent plots for one of the old-growth stands and the extended rotation stands (87 and 61 years, respectively) also allowed for an examination of the long-term structural dynamics of these systems. Old-growth forests were more structurally complex than unmanaged second-growth and extended rotation red pine stands, due in large part to the significantly higher volumes of coarse woody debris (70.7 vs. 11.5 and 4.7 m3/ha, respectively) and higher snag basal area (6.9 vs. 2.9 and 0.5 m2/ha, respectively). In addition, old-growth forests, although red pine-dominated, contained a greater abundance of other species, including Pinus strobus, Abies balsamea, and Picea glauca relative to the other stand types examined. These differences between stand types largely reflect historic gap-scale disturbances within the old-growth systems and their corresponding structural and compositional legacies. Nonetheless, extended rotation thinning treatments, by accelerating advancement to larger tree diameter

Parametric output-only identification of time-varying structures using a kernel recursive extended least squares TARMA approach

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Ma, Zhi-Sai; Liu, Li; Zhou, Si-Da; Yu, Lei; Naets, Frank; Heylen, Ward; Desmet, Wim

2018-01-01

The problem of parametric output-only identification of time-varying structures in a recursive manner is considered. A kernelized time-dependent autoregressive moving average (TARMA) model is proposed by expanding the time-varying model parameters onto the basis set of kernel functions in a reproducing kernel Hilbert space. An exponentially weighted kernel recursive extended least squares TARMA identification scheme is proposed, and a sliding-window technique is subsequently applied to fix the computational complexity for each consecutive update, allowing the method to operate online in time-varying environments. The proposed sliding-window exponentially weighted kernel recursive extended least squares TARMA method is employed for the identification of a laboratory time-varying structure consisting of a simply supported beam and a moving mass sliding on it. The proposed method is comparatively assessed against an existing recursive pseudo-linear regression TARMA method via Monte Carlo experiments and shown to be capable of accurately tracking the time-varying dynamics. Furthermore, the comparisons demonstrate the superior achievable accuracy, lower computational complexity and enhanced online identification capability of the proposed kernel recursive extended least squares TARMA approach.

Paleoproterozoic (ca. 1.8 Ga) arc magmatism in the Lützow-Holm Complex, East Antarctica: Implications for crustal growth and terrane assembly in erstwhile Gondwana fragments

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Takahashi, Kazuki; Tsunogae, Toshiaki; Santosh, M.; Takamura, Yusuke; Tsutsumi, Yukiyasu

2018-05-01

The Lützow-Holm Complex (LHC) of East Antarctica forms a part of the latest Neoproterozoic-Cambrian high-grade metamorphic segment of the East African-Antarctic Orogen. Here we present new petrological, geochemical, and zircon U-Pb geochronological data on meta-igneous rocks from four localities (Austhovde, Telen, Skallevikshalsen, and Skallen) in the LHC, and evaluate the regional Paleoproterozoic (ca. 1.8 Ga) arc magmatism in this terrane for the first time. The geochemical features reveal a volcanic-arc affinity for most of the meta-igneous rocks from Austhovde and Telen, suggesting that the protoliths of these rocks were derived from felsic to mafic arc magmatic rocks. The protoliths of two mafic granulites from Austhovde are inferred as non-volcanic-arc basalt such as E-MORB, suggesting the accretion of remnant oceanic lithosphere together with the volcanic-arc components during the subduction-collision events. The weighted mean 206Pb/238U ages of the dominant population of magmatic zircons in felsic orthogneisses from Austhovde and Telen show 1819 ± 19 Ma and 1830 ± 10 Ma, respectively, corresponding to Paleoproterozoic magmatic event. The magmatic zircons in orthogneisses from other two localities yield upper intercept ages of 1837 ± 54 Ma (Skallevikshalsen), and 1856 ± 37 Ma and 1854 ± 45 Ma (Skallen), which also support Paleoproterozoic magmatism. The earlier thermal events during Neoarchean to Early Paleoproterozoic are also traced by 206Pb/238U ages of xenocrystic zircons in the felsic orthogneisses from Austhovde (2517 ± 17 Ma and 2495 ± 15 Ma) and Telen (2126 ± 16 Ma), suggesting partial reworking of the basement of a 2.5 Ga microcontinent during ca. 1.8 Ga continental-arc magmatism. The timing of peak metamorphism is inferred to be in the range of 645.6 ± 10.4 to 521.4 ± 12.0 Ma based on 206Pb/238U weighted mean ages of metamorphic zircon grains. The results of this study, together with the available magmatic ages as well as geophysical and

Congruence as a measurement of extended haplotype structure across the genome

Science.gov (United States)

2012-01-01

Background Historically, extended haplotypes have been defined using only a few data points, such as alleles for several HLA genes in the MHC. High-density SNP data, and the increasing affordability of whole genome SNP typing, creates the opportunity to define higher resolution extended haplotypes. This drives the need for new tools that support quantification and visualization of extended haplotypes as defined by as many as 2000 SNPs. Confronted with high-density SNP data across the major histocompatibility complex (MHC) for 2,300 complete families, compiled by the Type 1 Diabetes Genetics Consortium (T1DGC), we developed software for studying extended haplotypes. Methods The software, called ExHap (Extended Haplotype), uses a similarity measurement we term congruence to identify and quantify long-range allele identity. Using ExHap, we analyzed congruence in both the T1DGC data and family-phased data from the International HapMap Project. Results Congruent chromosomes from the T1DGC data have between 96.5% and 99.9% allele identity over 1,818 SNPs spanning 2.64 megabases of the MHC (HLA-DRB1 to HLA-A). Thirty-three of 132 DQ-DR-B-A defined haplotype groups have > 50% congruent chromosomes in this region. For example, 92% of chromosomes within the DR3-B8-A1 haplotype are congruent from HLA-DRB1 to HLA-A (99.8% allele identity). We also applied ExHap to all 22 autosomes for both CEU and YRI cohorts from the International HapMap Project, identifying multiple candidate extended haplotypes. Conclusions Long-range congruence is not unique to the MHC region. Patterns of allele identity on phased chromosomes provide a simple, straightforward approach to visually and quantitatively inspect complex long-range structural patterns in the genome. Such patterns aid the biologist in appreciating genetic similarities and differences across cohorts, and can lead to hypothesis generation for subsequent studies. PMID:22369243

Robustness and structure of complex networks

Science.gov (United States)

Shao, Shuai

are much more vulnerable to localized attack compared with random attack. In the second part, we extend the tree-like generating function method to incorporating clustering structure in complex networks. We study the robustness of a complex network system, especially a network of networks (NON) with clustering structure in each network. We find that the system becomes less robust as we increase the clustering coefficient of each network. For a partially dependent network system, we also find that the influence of the clustering coefficient on network robustness decreases as we decrease the coupling strength, and the critical coupling strength qc, at which the first-order phase transition changes to second-order, increases as we increase the clustering coefficient.

A structural model of the E. coli PhoB Dimer in the transcription initiation complex

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Tung Chang-Shung

2012-03-01

Full Text Available Abstract Background There exist > 78,000 proteins and/or nucleic acids structures that were determined experimentally. Only a small portion of these structures corresponds to those of protein complexes. While homology modeling is able to exploit knowledge-based potentials of side-chain rotomers and backbone motifs to infer structures for new proteins, no such general method exists to extend our understanding of protein interaction motifs to novel protein complexes. Results We use a Motif Binding Geometries (MBG approach, to infer the structure of a protein complex from the database of complexes of homologous proteins taken from other contexts (such as the helix-turn-helix motif binding double stranded DNA, and demonstrate its utility on one of the more important regulatory complexes in biology, that of the RNA polymerase initiating transcription under conditions of phosphate starvation. The modeled PhoB/RNAP/σ-factor/DNA complex is stereo-chemically reasonable, has sufficient interfacial Solvent Excluded Surface Areas (SESAs to provide adequate binding strength, is physically meaningful for transcription regulation, and is consistent with a variety of known experimental constraints. Conclusions Based on a straightforward and easy to comprehend concept, "proteins and protein domains that fold similarly could interact similarly", a structural model of the PhoB dimer in the transcription initiation complex has been developed. This approach could be extended to enable structural modeling and prediction of other bio-molecular complexes. Just as models of individual proteins provide insight into molecular recognition, catalytic mechanism, and substrate specificity, models of protein complexes will provide understanding into the combinatorial rules of cellular regulation and signaling.

The Middlesex Fells Volcanic Complex: A Revised Tectonic Model based on Geochronology, Geochemistry, and Field Data

Science.gov (United States)

Hampton, R.

2017-12-01

The Boston Bay area is composed of several terranes originating on the paleocontinent of Avalonia, an arc terrane that accreted onto the continent of Laurentia during the Devonian. Included in these terranes is the Middlesex Fells Volcanic Complex, a bimodal complex composed of both intrusive and extrusive igneous rocks. Initial studies suggested that this volcanic complex formed during a rift event as the Avalonian continent separated from its parent continent 700-900 Ma. New geochemical and geochronological data and field relationships observed in this study establishes a new tectonic model. U-Pb laser ablation zircon data on four samples from different units within the complex reveal that the complex erupted 600 Ma. ICP-MS geochemical analysis of the metabasalt member of the complex yield a trace element signature enriched in Rb, Pb, and Sr and depleted in Th, indicating a subduction component to the melt and interpreted as an eruption into a back-arc basin. The felsic units similarly have an arc related signature when plotted on trace element spider diagrams and tectonic discrimination diagrams. Combined with the field relationships, including an erosional unconformity, stratigraphic and intrusional relationships and large faults from episodic extension events, this data suggests that the Middlesex Fells Volcanic Complex was erupted as part of the arc-sequence of Avalonia and as part of the formation of a back-arc basin well after Avalonia separated from its parent continent. This model presents a significantly younger eruption scenario for the Middlesex Fells Volcanics than previously hypothesized and may be used to study and compare to other volcanics from Avalon terranes in localities such as Newfoundland and the greater Boston area.

Detrital zircon ages in Buller and Takaka terranes, New Zealand : constraints on early Zealandia history

International Nuclear Information System (INIS)

Adams, C.J.; Mortimer, N.; Campbell, H.J.; Griffin, W.L.

2015-01-01

Detrital zircon ages are presented for 34 early Palaeozoic sandstones from Buller and Takaka terranes, New Zealand, and formerly adjacent parts of Australia-Antarctica. The Buller-Takaka datasets always have two major groups: Ordovician-late Neoproterozoic, 444-700 Ma (but mainly 540-700 Ma), termed 'Gondwana Assembly' (GA), and early Neoproterozoic-Mesoproterozoic, 700-1600 Ma (but mainly 900-1200 Ma), termed 'Rodinia Assembly' (RA). In both terranes, significant age components within these groups are strikingly similar and also have RA/GA ratios, 0.6-1.8. The Cambrian volcanic arc of the Takaka Terrane has contributed little to the zircon patterns. Proportions of Late Cambrian-Early Ordovician zircons, characteristic of granitoid sources in the Ross-Delamerian Orogen are low. The zircons are predominantly reworked with contemporary zircons only evident in a few Buller datasets. The zircon patterns suggest that two major sources (late Mesoproterozoic and late Neoproterozoic), enduring over 120 Ma, were widely distributed and it is postulated they form Precambrian basement beneath southern Zealandia. (author).

Age and duration of eclogite-facies metamorphism, North Qaidam HP/UHP terrane, Western China

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Mattinson, C.G.; Wooden, J.L.; Liou, J.G.; Bird, D.K.; Wu, C.L.

2006-01-01

Amphibolite-facies para-and orthogneisses near Dulan, at the southeast end of the North Qaidam terrane, enclose minor eclogite and peridotite which record ultra-high pressure (UHP) metamorphism associated with the Early Paleozoic continental collision of the Qilian and Qaidam microplates. Field relations and coesite inclusions in zircons from paragneiss suggest that felsic, mafic, and ultramafic rocks all experienced UHP metamorphism and a common amphibolite-facies retrogression. SHRIMP-RG U-Pb and REE analyses of zircons from four eclogites yield weighted mean ages of 449 to 422 Ma, and REE patterns (flat HREE, no Eu anomaly) and inclusions of garnet, omphacite, and rutile indicate these ages record eclogite-facies metamorphism. The coherent field relations of these samples, and the similar range of individual ages in each sample suggests that the ???25 m.y. age range reflects the duration of eclogite-facies conditions in the studied samples. Analyses from zircon cores in one sample yield scattered 433 to 474 Ma ages, reflecting partial overlap on rims, and constrain the minimum age of eclogite protolith crystallization. Inclusions of Th + REE-rich epidote, and zircon REE patterns are consistent with prograde metamorphic growth. In the Lu??liang Shan, approximately 350 km northwest in the North Qaidam terrane, ages interpreted to record eclogite-facies metamorphism of eclogite and garnet peridotite are as old as 495 Ma and as young as 414 Ma, which suggests that processes responsible for extended high-pressure residence are not restricted to the Dulan region. Evidence of prolonged eclogite-facies metamorphism in HP/UHP localities in the Northeast Greenland eclogite province, the Western Gneiss Region of Norway, and the western Alps suggests that long eclogite-facies residence may be globally significant in continental subduction/collision zones.

Structural studies of f-element complexes with soft donor extractants

International Nuclear Information System (INIS)

Jensen, Mark P.; Bond, Andrew H.; Nash, Kenneth L.

2000-01-01

To better understand the unique features and structural implications of An-soft donor interactions, we used solvent extraction, extended x-ray absorption fine structure (Exafs), and optical spectroscopy to study both the lanthanide and actinide complexes of a series of dialkylphosphinic acid extractants, bis(2,4,4-trimethylpentyl)phosphinic acid, bis(2,4,4-trimethylpentyl)monothiophosphinic acid, and bis(2,4,4- trimethylpentyl)dithiophosphinic acid, which are the primary components of the commercial extractants Cyanex 272, Cyanex 302, and Cyanex 301

Identification of thermotectonics events by 40Ar/39Ar methodology, in Jauru, Pontes e Lacerda and Rio Alegre Terrane - southwest portion of Amazon Craton

International Nuclear Information System (INIS)

Paulo, Valeria Guimaraes de

2005-01-01

The southwest portion of Amazon Craton, subject of these work, correspond to the southwest region of Mato Grosso State and is inserted on Rio Negro-Juruena, Rondoniana-San Ignacio and Sunsas-Aguapei geochronologic Provinces. This region is surrounded by three big terranes: Jauru, Pontes e Lacerda and Rio Alegre. The main aim of this study is to use the ages of termochronologic events obtained by 40 Ar/ 39 Ar methodology, including data of literature, to contribute with the study of the geotectonic evolution on this region. Twenty samples were analyzed and 40 Ar/ 39 Ar ages found for the Jauru Terrane vary of 1539 ± 3 Ma to 1338 ± 3 Ma, for the Pontes e Lacerda Terrane the interval obtained was of 946,1 ± 0,8 Ma to 890 ± 2 Ma and for Rio Alegre Terrane the ages are between 1407 ± 3 Ma to 1321 ± 2 Ma. U/Pb, Rb/Sr and Sm/Nd data from previous works, together with 40 Ar/ 39 Ar results allowed to obtain cooling average rates to each terrane. The Jauru Terrane units cooling age is equivalent to 1,52 Ga. The cooling average rates found to Alto Jauru Greenstone belt rocks is 2,4 deg C - 1,0 Ma and to Magmatic Arc Cachoeirinha is 10,8 deg C - 1,0 Ma. Stabilization age obtained for Pontes and Lacerda Terrane is about 900 Ma coherent with the cooling age of the Sunsas Aguapei Event (1,0 - 0,9 Ga) and cooling average rates calculate were the lower, equivalent to 1,0 deg C - 1,0 Ma. Cooling age found in Rio Alegre Terrane was 1,35 Ga, possibility correspond to collision age these terrane with Amazonian protoCraton and cooling average rates of 5,0 deg C - 1,0 Ma. Finally, younger age found of 900 Ma, coherent to the Sunsas - Aguapei Event, probably represent the last regional event that affected these rocks, characterizing the stabilization period of the southwest portion of Amazon Craton. (author)

A geologic guide to Wrangell-Saint Elias National Park and Preserve, Alaska; a tectonic collage of northbound terranes

Science.gov (United States)

Winkler, Gary R.; with contributions by MacKevett, E. M.; Plafker, George; Richter, D.H.; Rosenkrans, D.S.; Schmoll, H.R.

2000-01-01

Wrangell-Saint Elias National Park and Preserve, the largest unit in the U.S. National Park System, encompasses near 13.2 million acres of geological wonderments. This geologic guide presents history of exploration and Earth-science investigation; describes the complex geologic makeup; characterizes the vast college of accretion geologic terranes in this area of Alaska's continental margin; recapitulates the effects of earthquakes, volcanoes, and glaciers; characterizes the copper and gold resources of the parklands; and describes outstanding locales within the park and preserve area. A glossary of geologic terms and a categorized list of additional sources of information complete this report.

Late Ordovician palaeogeography and the positions of the Kazakh terranes through analysis of their brachiopod faunas

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Popov, Leonid E.; Cocks, Robin M.

2017-09-01

Detailed biogeographical and biofacies analyses of the Late Ordovician brachiopod faunas with 160 genera, grouped into 94 faunas from individual lithotectonic units within the Kazakh Orogen strongly support an archipelago model for that time in that area. The Kazakh island arcs and microcontinents within several separate clusters were located in the tropics on both sides of the Equator. Key units, from which the Late Ordovician faunas are now well known, include the Boshchekul, Chingiz-Tarbagatai, and Chu-Ili terranes. The development of brachiopod biogeography within the nearly ten million year time span of the Late Ordovician from about 458 to 443 Ma (Sandbian, Katian, and Hirnantian), is supported by much new data, including our revised identifications from the Kazakh Orogen and elsewhere. The Kazakh archipelago was west of the Australasian segment of the Gondwana Supercontinent, and relatively near the Tarim, South China and North China continents, apart from the Atashu-Zhamshi Microcontinent, which probably occupied a relatively isolated position on the south-western margin of the archipelago. Distinct faunal signatures indicate that the Kazakh terranes were far away from Baltica and Siberia throughout the Ordovician. Although some earlier terranes had joined each other before the Middle Ordovician, the amalgamation of Kazakh terranes into the single continent of Kazakhstania by the end of the Ordovician is very unlikely. The Late Ordovician brachiopods from the other continents are also compared with the Kazakh faunas and global provincialisation statistically determined.

Concomitant Hamiltonian and topological structures of extended magnetohydrodynamics

Energy Technology Data Exchange (ETDEWEB)

Lingam, Manasvi, E-mail: mlingam@princeton.edu [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); Department of Physics and Institute for Fusion Studies, The University of Texas at Austin, Austin, TX 78712 (United States); Miloshevich, George, E-mail: gmilosh@physics.utexas.edu [Department of Physics and Institute for Fusion Studies, The University of Texas at Austin, Austin, TX 78712 (United States); Morrison, Philip J., E-mail: morrison@physics.utexas.edu [Department of Physics and Institute for Fusion Studies, The University of Texas at Austin, Austin, TX 78712 (United States)

2016-07-15

Highlights: • Common Hamiltonian structure of the extended MHD models presented. • The generalized helicities of extended MHD shown to be topological invariants analogous to fluid/magnetic helicity. • Generalized helicities can be studied through powerful topological and knot-theoretic methods such as the Jones polynomial. • Each extended MHD model shown to possess two Lie-dragged 2-forms, which are interpreted as the generalized vorticity fluxes. - Abstract: The paper describes the unique geometric properties of ideal magnetohydrodynamics (MHD), and demonstrates how such features are inherited by extended MHD, viz. models that incorporate two-fluid effects (the Hall term and electron inertia). The generalized helicities, and other geometric expressions for these models are presented in a topological context, emphasizing their universal facets. Some of the results presented include: the generalized Kelvin circulation theorems; the existence of two Lie-dragged 2-forms; and two concomitant helicities that can be studied via the Jones polynomial, which is widely utilized in Chern–Simons theory. The ensuing commonality is traced to the existence of an underlying Hamiltonian structure for all the extended MHD models, exemplified by the presence of a unique noncanonical Poisson bracket, and its associated energy.

Unusual central Nevada geologic terranes produced by Late Devonian Antler orogeny and Alamo impact

Science.gov (United States)

Poole, Forrest G.; Sandberg, Charles

2015-01-01

This Special Paper is the product of nearly 25 years of geologic investigations. It is an exposition of two small areas, both less than 25 km east of the Mississippian Roberts Mountains allochthon, but each displaying a different, unique geologic terrane, previously undocumented in Nevada and perhaps in North America. One area, the Bisoni-McKay, at the south end of the Fish Creek Range, displays an olistostrome, shed eastward during the late Late Devonian (early Famennian) from a migrating Antler orogenic forebulge. The other, the Warm Springs–Milk Spring, at the south end of the Hot Creek Range, displays a deeper marine terrane affected by the early Late Devonian (middle Frasnian) Alamo impact.

Hamiltonian structure of linearly extended Virasoro algebra

International Nuclear Information System (INIS)

Arakelyan, T.A.; Savvidi, G.K.

1991-01-01

The Hamiltonian structure of linearly extended Virasoro algebra which admits free bosonic field representation is described. An example of a non-trivial extension is found. The hierarchy of integrable non-linear equations corresponding to this Hamiltonian structure is constructed. This hierarchy admits the Lax representation by matrix Lax operator of second order

Sedimentology of Hirnantian glaciomarine deposits in the Balkan Terrane, western Bulgaria: Fixing a piece of the north peri-Gondwana jigsaw puzzle

Science.gov (United States)

Chatalov, Athanas

2017-04-01

Glaciomarine deposits of late Hirnantian age in the western part of the Palaeozoic Balkan Terrane have persistent thickness ( 7 m) and lateral uniformity in rock colour, bedding pattern, lithology, and sedimentary structures. Four lithofacies are distinguished from base to top: lonestone-bearing diamictites, interbedded structureless mudstones, crudely laminated diamictites, and finely laminated mudstones. The diamictites are clast-poor to clast-rich comprising muddy to sandy varieties. Their compositional maturity is evidenced by the very high amount of detrital quartz compared to the paucity of feldspar and unstable lithic grains. Other textural components include extraclasts derived from the local Ordovician basement, mudstone intraclasts, and sediment aggregates. Turbate structures, grain lineations, and soft sediment deformation of the matrix below larger grains are locally observed. Sedimentological analysis reveals that deposition occurred in an ice-intermediate to ice-distal, poorly agitated shelf environment by material supplied from meltwater buoyant plumes and rain-out from ice-rafted debris. Remobilization by mass-flow processes (cohesive debris flows and slumps) was an important mechanism particularly for the formation of massive diamictites. The glaciomarine deposits represent a typical deglaciation sequence reflecting retreat of the ice front (grounded or floating ice sheet), relative sea-level rise and gradually reduced sedimentation rate with increasing contribution from suspension fallout. This sequence was deposited on the non-glaciated shelf of the intracratonic North Gondwana platform along the southern margin of the Rheic Ocean. The Hirnantian strata of the Balkan Terrane can be correlated with similar glaciomarine deposits known from peri-Gondwana terranes elsewhere in Europe showing clear 'Armorican affinity'. Several lines of evidence suggest that the provenance of siliciclastic material was associated mainly with sedimentary recycling of

Thermodynamics and Structure of Actinide(IV) Complexes with Nitrilotriacetic Acid

Energy Technology Data Exchange (ETDEWEB)

Bonin, L.; Guillaumont, D.; Jeanson, A.; Den Auwer, C.; Moisy, Ph. [CEA Marcoule, DEN, DRCP, SCPS, F-30207 Bagnols Sur Ceze (France); Grigoriev, M. [RAS, AN Frumkin Inst Phys Chem and Electrochem, Moscow 119991 (Russian Federation); Berthet, J.C. [CEA Saclay, DSM, IRAMIS, URA 331, Serv Chim Mol, CNRS, F-91191 Gif Sur Yvette (France); Hennig, C.; Scheinost, A. [Forschungszentrum Dresden Rossendorf, Inst Radiochem, D-01314 Dresden (Germany)

2009-05-15

Nitrilotriacetic acid, commonly known as NITA (N(CH{sub 2}CO{sub 2}H){sub 3}), can be considered a representative of the polyamino-carboxylic family. The results presented in this paper describe the thermodynamical complexation and structural investigation of An(IV) complexes with NTA in aqueous solution. In the first part, the stability constants of the An(IV) complexes (An = Pu, Np, U, and Th) have been determined by spectrophotometry. In the second part, the coordination spheres of the actinide cation in these complexes have been described using extended X-ray absorption fine structure spectroscopy and compared to the solid-state structure of (Hpy){sub 2}[U(NTA){sub 2}].H{sub 2}O. These data are further compared to quantum chemical calculations, and their evolution across the actinide series is discussed. In particular, an interpretation of the role of the nitrogen atom in the coordination mode is proposed. These results are considered to be model behavior of polyamino-carboxylic ligands such as diethylenetriamine pentaacetic acid, which is nowadays the best candidate for a chelating agent in the framework of actinide decorporation for the human body. (authors)

Thermochronology of the Sulu ultrahigh-pressure metamorphic terrane: Implications for continental collision and lithospheric thinning

Science.gov (United States)

Liu, Li-Ping; Li, Zheng-Xiang; Danišík, Martin; Li, Sanzhong; Evans, Noreen; Jourdan, Fred; Tao, Ni

2017-08-01

The thermal history of the Dabie-Sulu orogenic belt provides important constraints on the collision process between the South China and North China blocks during the Mesozoic, and possible lithospheric thinning event(s) in the eastern North China Block. This study reports on the thermal evolution of the Sulu ultrahigh-pressure metamorphic (UHP) terrane using zircon U-Pb geochronology and multiple thermochronology methods such as mica and hornblende 40Ar/39Ar, zircon and apatite fission track, and zircon and apatite (U-Th)/He dating. 40Ar/39Ar and zircon (U-Th)/He data show that the UHP terrane experienced accelerated cooling during 180-160 Ma. This cooling event could be interpreted to have resulted from extensional unroofing of an earlier southward thrusting nappe, or, more likely, an episode of northward thrusting of the UHP rocks as a hanging wall. A subsequent episode of exhumation took place between ca. 125 Ma and 90 Ma as recorded by zircon (U-Th)/He data. This event was more pronounced in the northwest section of the UHP terrane, whereas in the southeast section, the zircon (U-Th)/He system retained Jurassic cooling ages of ca. 180-160 Ma. The mid-Cretaceous episode of exhumation is interpreted to have resulted from crustal extension due to the removal of thickened, enriched mantle. A younger episode of exhumation was recorded by apatite fission track and apatite (U-Th)/He ages at ca. 65-40 Ma. Both latter events were linked to episodic thinning of lithosphere along the Sulu UHP terrane in an extensional environment, likely caused by the roll-back of the Western Pacific subduction system.

Imaging and structural studies of DNA–protein complexes and membrane ion channels

KAUST Repository

Marini, Monica; Limongi, Tania; Falqui, Andrea; Genovese, Alessandro; Allione, Marco; Moretti, Manola; Lopatin, Sergei; Tirinato, Luca; Das, Gobind; Torre, Bruno; Giugni, Andrea; Cesca, F.; Benfenati, F.; Di Fabrizio, Enzo M.

2017-01-01

In bio-imaging by electron microscopy, damage of the sample and limited contrast are the two main hurdles for reaching high image quality. We extend a new preparation method based on nanofabrication and super-hydrophobicity to the imaging and structural studies of nucleic acids, nucleic acid-protein complexes (DNA/Rad51 repair protein complex) and neuronal ion channels (gap-junction, K+ and GABA(A) channels) as paradigms of biological significance and increasing complexity. The preparation method is based on the liquid phase and is compatible with physiological conditions. Only in the very last stage, samples are dried for TEM analysis. Conventional TEM and high-resolution TEM (HRTEM) were used to achieve a resolution of 3.3 and 1.5 angstrom, respectively. The EM dataset quality allows the determination of relevant structural and metrological information on the DNA structure, DNA-protein interactions and ion channels, allowing the identification of specific macromolecules and their structure.

Imaging and structural studies of DNA–protein complexes and membrane ion channels

KAUST Repository

Marini, Monica

2017-01-17

In bio-imaging by electron microscopy, damage of the sample and limited contrast are the two main hurdles for reaching high image quality. We extend a new preparation method based on nanofabrication and super-hydrophobicity to the imaging and structural studies of nucleic acids, nucleic acid-protein complexes (DNA/Rad51 repair protein complex) and neuronal ion channels (gap-junction, K+ and GABA(A) channels) as paradigms of biological significance and increasing complexity. The preparation method is based on the liquid phase and is compatible with physiological conditions. Only in the very last stage, samples are dried for TEM analysis. Conventional TEM and high-resolution TEM (HRTEM) were used to achieve a resolution of 3.3 and 1.5 angstrom, respectively. The EM dataset quality allows the determination of relevant structural and metrological information on the DNA structure, DNA-protein interactions and ion channels, allowing the identification of specific macromolecules and their structure.

Effects of silicate weathering on water chemistry in forested, upland, felsic terrane of the USA

International Nuclear Information System (INIS)

Stauffer, R.E.; Wittchen, B.D.

1991-01-01

The authors use data from the US EPA National Surface Water Survey (NSWS), the USGS Bench-Mark Station monitoring program, and the National Acid Deposition Program (NADP) to evaluate the role of weathering in supplying base cations to surface waters in forested, upland, felsic terrane of the northeastern, northcentral, and northwestern (Idaho batholith) US. Multivariate regression reveals differential effects of discharge on individual base cations and silica, but no secular trend in the Ca/Na denudation rate over 24 yr (1965-1988) for the Wild River catchment in the White Mountains. Because the turn-over time for Na in the soil-exchange complex is only ca. 1.5 yr, the long-term behavior of the ratios Ca/Na and Si/Na in waters leaving this catchment indicates that weathering is compensating for base cation export. In every subregion, Ca and Mg concentrations in lakes are statistically linked to nonmarine Na, but the median Ca/Na ratio is greater than the ratio in local plagioclase. The authors attribute this inequality to nonstoichiometric weathering of calcium in juvenile (formerly glaciated) terrane, not to leaching of exchangeable cations by So 4 because intraregional and cross-regional statistical analysis reveals no effect of atmospherically derived sulfate ion. The median base cation denudation rates (meq m -2 yr -1 ) for these American lake regions are: Maine granites (108); western Adirondack felsic gneiss (85); Vermilion batholith (42); Idaho batholith (52). The regional rates are high enough to compensate for present wet deposition of acidifying anions except in some vulnerable lake watersheds in the western Adirondacks

A novel dinuclear Ru(II) complex having a bridging ligand of a rigid and extended structure. Incorporation of an anthraquinone unit and efficient emission quenching

International Nuclear Information System (INIS)

Mishra, L.; Choi, Chang-Shik; Araki, Koji

1997-01-01

Dinuclear Ru(II) complex having extended conjugation within the bridging ligand was prepared by coupling of the Ru(II) polypyridyl complex having a benzoyl-substituted phenazine unit with diaminoanthraquinone in one step, in which emission from the excited Ru(II) center was efficiently quenched through the anthraquinone unit. (author)

Chronologic constraints on the tectonic evolution of the Wilson Lake terrane of the Grenville Province, Canada

DEFF Research Database (Denmark)

Reno II, Barry Len; Korhonen, F.J.; Stout, J.H.

the Grenville Orogen in North America. Many of these terranes record evidence of two orogenies: the Labradorian Orogeny at ca. 1710-1600 Ma, and the Grenville Orogeny at ca. 1080-980 Ma. The rocks in the Wilson Lake terrane are interpreted to have been subjected to peak pressures of ~0.95 GPa......) monazite exhibits distinct core and rim zoning in yttrium X-ray compositional maps, and occurs predominately in the melanosome of the rocks, and 2) a population of smaller (up to ~50 µm) unzoned monazite rarely occurs in quartz-rich layers of the rocks. In a majority of the melanosome-hosted monazite, (U...

Exploring Social Structures in Extended Team Model

DEFF Research Database (Denmark)

Zahedi, Mansooreh; Ali Babar, Muhammad

2013-01-01

Extended Team Model (ETM) as a type of offshore outsourcing is increasingly becoming popular mode of Global Software Development (GSD). There is little knowledge about the social structures in ETM and their impact on collaboration. Within a large interdisciplinary project to develop the next...... generation of GSD technologies, we are exploring the role of social structures to support collaboration. This paper reports some details of our research design and initial findings about the mechanisms to support social structures and their impact on collaboration in an ETM....

Three-dimensional bioprinting of complex cell laden alginate hydrogel structures.

Science.gov (United States)

Tabriz, Atabak Ghanizadeh; Hermida, Miguel A; Leslie, Nicholas R; Shu, Wenmiao

2015-12-21

Different bioprinting techniques have been used to produce cell-laden alginate hydrogel structures, however these approaches have been limited to 2D or simple three-dimension (3D) structures. In this study, a new extrusion based bioprinting technique was developed to produce more complex alginate hydrogel structures. This was achieved by dividing the alginate hydrogel cross-linking process into three stages: primary calcium ion cross-linking for printability of the gel, secondary calcium cross-linking for rigidity of the alginate hydrogel immediately after printing and tertiary barium ion cross-linking for long-term stability of the alginate hydrogel in culture medium. Simple 3D structures including tubes were first printed to ensure the feasibility of the bioprinting technique and then complex 3D structures such as branched vascular structures were successfully printed. The static stiffness of the alginate hydrogel after printing was 20.18 ± 1.62 KPa which was rigid enough to sustain the integrity of the complex 3D alginate hydrogel structure during the printing. The addition of 60 mM barium chloride was found to significantly extend the stability of the cross-linked alginate hydrogel from 3 d to beyond 11 d without compromising the cellular viability. The results based on cell bioprinting suggested that viability of U87-MG cells was 93 ± 0.9% immediately after bioprinting and cell viability maintained above 88% ± 4.3% in the alginate hydrogel over the period of 11 d.

Three-Dimentional Structures of Autophosphorylation Complexes in Crystals of Protein Kinases

KAUST Repository

Dumbrack, Roland

2016-01-26

Protein kinase autophosphorylation is a common regulatory mechanism in cell signaling pathways. Several autophosphorylation complexes have been identified in crystals of protein kinases, with a known serine, threonine, or tyrosine autophosphorylation site of one kinase monomer sitting in the active site of another monomer of the same protein in the crystal. We utilized a structural bioinformatics method to identify all such autophosphorylation complexes in X-ray crystallographic structures in the Protein Data Bank (PDB) by generating all unique kinase/kinase interfaces within and between asymmetric units of each crystal and measuring the distance between the hydroxyl oxygen of potential autophosphorylation sites and the oxygen atoms of the active site aspartic acid residue side chain. We have identified 15 unique autophosphorylation complexes in the PDB, of which 5 complexes have not previously been described in the relevant publications on the crystal structures (N-terminal juxtamembrane regions of CSF1R and EPHA2, activation loop tyrosines of LCK and IGF1R, and a serine in a nuclear localization signal region of CLK2. Mutation of residues in the autophosphorylation complex interface of LCK either severely impaired autophosphorylation or increased it. Taking the autophosphorylation complexes as a whole and comparing them with peptide-substrate/kinase complexes, we observe a number of important features among them. The novel and previously observed autophosphorylation sites are conserved in many kinases, indicating that by homology we can extend the relevance of these complexes to many other clinically relevant drug targets.

Complex DNA structures and structures of DNA complexes

International Nuclear Information System (INIS)

Chazin, W.J.; Carlstroem, G.; Shiow-Meei Chen; Miick, S.; Gomez-Paloma, L.; Smith, J.; Rydzewski, J.

1994-01-01

Complex DNA structures (for example, triplexes, quadruplexes, junctions) and DNA-ligand complexes are more difficult to study by NMR than standard DNA duplexes are because they have high molecular weights, show nonstandard or distorted local conformations, and exhibit large resonance linewidths and severe 1 H spectral overlap. These systems also tend to have limited solubility and may require specialized solution conditions to maintain favorable spectral characteristics, which adds to the spectroscopic difficulties. Furthermore, with more atoms in the system, both assignment and structure calculation become more challenging. In this article, we focus on demonstrating the current status of NMR studies of such systems and the limitations to further progress; we also indicate in what ways isotopic enrichment can be useful

Complex DNA structures and structures of DNA complexes

Energy Technology Data Exchange (ETDEWEB)

Chazin, W.J.; Carlstroem, G.; Shiow-Meei Chen; Miick, S.; Gomez-Paloma, L.; Smith, J.; Rydzewski, J. [Scripps Research Institute, La Jolla, CA (United States)

1994-12-01

Complex DNA structures (for example, triplexes, quadruplexes, junctions) and DNA-ligand complexes are more difficult to study by NMR than standard DNA duplexes are because they have high molecular weights, show nonstandard or distorted local conformations, and exhibit large resonance linewidths and severe {sup 1}H spectral overlap. These systems also tend to have limited solubility and may require specialized solution conditions to maintain favorable spectral characteristics, which adds to the spectroscopic difficulties. Furthermore, with more atoms in the system, both assignment and structure calculation become more challenging. In this article, we focus on demonstrating the current status of NMR studies of such systems and the limitations to further progress; we also indicate in what ways isotopic enrichment can be useful.

C60 Recognition from Extended Tetrathiafulvalene Bis-acetylide Platinum(II) Complexes.

Science.gov (United States)

Bastien, Guillaume; Dron, Paul I; Vincent, Manon; Canevet, David; Allain, Magali; Goeb, Sébastien; Sallé, Marc

2016-11-18

The favorable spatial organization imposed by the square planar 4,4'-di(tert-butyl)-2,2'-bipyridine (dbbpy) platinum(II) complex associated with the electronic and shape complementarity of π-extended tetrathiafulvalene derivatives (exTTF) toward fullerenes is usefully exploited to construct molecular tweezers, which display good affinities for C 60 .

3D complex: a structural classification of protein complexes.

Directory of Open Access Journals (Sweden)

Emmanuel D Levy

2006-11-01

Full Text Available Most of the proteins in a cell assemble into complexes to carry out their function. It is therefore crucial to understand the physicochemical properties as well as the evolution of interactions between proteins. The Protein Data Bank represents an important source of information for such studies, because more than half of the structures are homo- or heteromeric protein complexes. Here we propose the first hierarchical classification of whole protein complexes of known 3-D structure, based on representing their fundamental structural features as a graph. This classification provides the first overview of all the complexes in the Protein Data Bank and allows nonredundant sets to be derived at different levels of detail. This reveals that between one-half and two-thirds of known structures are multimeric, depending on the level of redundancy accepted. We also analyse the structures in terms of the topological arrangement of their subunits and find that they form a small number of arrangements compared with all theoretically possible ones. This is because most complexes contain four subunits or less, and the large majority are homomeric. In addition, there is a strong tendency for symmetry in complexes, even for heteromeric complexes. Finally, through comparison of Biological Units in the Protein Data Bank with the Protein Quaternary Structure database, we identified many possible errors in quaternary structure assignments. Our classification, available as a database and Web server at http://www.3Dcomplex.org, will be a starting point for future work aimed at understanding the structure and evolution of protein complexes.

Taking advantage of local structure descriptors to analyze interresidue contacts in protein structures and protein complexes.

Science.gov (United States)

Martin, Juliette; Regad, Leslie; Etchebest, Catherine; Camproux, Anne-Claude

2008-11-15

Interresidue protein contacts in proteins structures and at protein-protein interface are classically described by the amino acid types of interacting residues and the local structural context of the contact, if any, is described using secondary structures. In this study, we present an alternate analysis of interresidue contact using local structures defined by the structural alphabet introduced by Camproux et al. This structural alphabet allows to describe a 3D structure as a sequence of prototype fragments called structural letters, of 27 different types. Each residue can then be assigned to a particular local structure, even in loop regions. The analysis of interresidue contacts within protein structures defined using Voronoï tessellations reveals that pairwise contact specificity is greater in terms of structural letters than amino acids. Using a simple heuristic based on specificity score comparison, we find that 74% of the long-range contacts within protein structures are better described using structural letters than amino acid types. The investigation is extended to a set of protein-protein complexes, showing that the similar global rules apply as for intraprotein contacts, with 64% of the interprotein contacts best described by local structures. We then present an evaluation of pairing functions integrating structural letters to decoy scoring and show that some complexes could benefit from the use of structural letter-based pairing functions.

GPR Imaging of Fault Related Folds in a Gold-Bearing Metasedimentary Sequence, Carolina Terrane, Southern Appalachian Mountains

Science.gov (United States)

Diemer, J. A.; Bobyarchick, A. R.

2015-12-01

The Carolina terrane comprises Ediacaran to earliest Paleozoic mixed magmatic and sedimentary assemblages in the central and eastern Piedmont of the Southern Appalachian Mountains. The terrane was primarily deformed during the Late Ordovician Cherokee orogeny, that reached greenschist facies metamorphism. The Albemarle arc, a younger component of the Carolina terrane, contains volcanogenic metasedimentary rocks with intercalated mainly rhyolitic volcanic rocks. Regional inclined to overturned folds with axial planar cleavage verge southeast. At mesoscopic scales (exposures of a few square meters), folds sympathetic with regional folds are attenuated or truncated by ductile shear zones or contractional faults. Shear and fault zones are most abundant near highly silicified strataform zones in metagraywacke of the Tillery Formation; these zones are also auriferous. GPR profiles were collected across strike of two silicified, gold-bearing zones and enclosing metagraywacke to characterize the scale and extent of folding in the vicinity of ore horizons. Several GSSI SIR-3000 / 100 MHz monostatic GPR profiles were collected in profiles up to 260 meters long. In pre-migration lines processed for time zero and background removal, several clusters of shallow, rolling sigmoidal reflectors appeared separated by sets of parallel, northwest-dipping reflective discontinuities. These features are inferred to be reverse faults carrying contractional folds. After migration with an average velocity of 0.105 m/ns, vertical heights of the inferred folds became attenuated but not removed, and contractional fault reflections remained prominent. After migration, a highly convex-up cluster of reflections initially assumed to be a fold culmination resolved to an elliptical patch of high amplitudes. The patch is likely an undisclosed shaft or covered trench left by earlier gold prospecting. In this survey, useful detail appeared to a depth of 7.5 meters, and only a few gently inclined

On the structure of thorium and americium adenosine triphosphate complexes

International Nuclear Information System (INIS)

Mostapha, Sarah; Berton, Laurence; Boubals, Nathalie; Zorz, Nicole; Charbonnel, Marie-Christine; Fontaine-Vive, Fabien; Den Auwer, Christophe; Solari, Pier Lorenzo

2014-01-01

The actinides are chemical poisons and radiological hazards. One challenge to better appraise their toxicity and develop countermeasures in case of exposure of living organisms is to better assess pathways of contamination. Because of the high chemical affinity of those actinide elements for phosphate groups and the ubiquity of such chemical functions in biochemistry, nucleotides and in particular adenosine triphosphate nucleotide (ATP) may be considered critical target building blocks for actinides. Combinations of spectroscopic techniques (Fourier transformed Infra Red [FTIR], Electro-spray Ionization Mass Spectrometry [ESI-MS], and Extended X-ray Absorption Fine Structure [EXAFS]) with quantum chemical calculations have been implemented in order to assess the actinides coordination arrangement with ATP. We describe and compare herein the interaction of ATP with thorium and americium; thorium(IV) as a representative of actinide(IV) like plutonium(IV) and americium(III) as a representative of all heavier actinides. In the case of thorium, an insoluble complex is readily formed. In the case of americium, a behavior identical to that described previously for lutetium has been observed with insoluble and soluble complexes. The comparative study of ATP complexation with Th(IV) and Am(III) shows their ability to form insoluble complexes for which a structural model has been proposed by analogy with previously described Lu(III) complexes. (authors)

On the structure of thorium and americium adenosine triphosphate complexes.

Science.gov (United States)

Mostapha, Sarah; Fontaine-Vive, Fabien; Berthon, Laurence; Boubals, Nathalie; Zorz, Nicole; Solari, Pier Lorenzo; Charbonnel, Marie Christine; Den Auwer, Christophe

2014-11-01

The actinides are chemical poisons and radiological hazards. One challenge to better appraise their toxicity and develop countermeasures in case of exposure of living organisms is to better assess pathways of contamination. Because of the high chemical affinity of those actinide elements for phosphate groups and the ubiquity of such chemical functions in biochemistry, nucleotides and in particular adenosine triphosphate nucleotide (ATP) may be considered critical target building blocks for actinides. Combinations of spectroscopic techniques (Fourier transformed Infra Red [FTIR], Electrospray Ionization Mass Spectrometry [ESI-MS], and Extended X-ray Absorption Fine Structure [EXAFS]) with quantum chemical calculations have been implemented in order to assess the actinides coordination arrangement with ATP. We describe and compare herein the interaction of ATP with thorium and americium; thorium(IV) as a representative of actinide(IV) like plutonium(IV) and americium(III) as a representative of all heavier actinides. In the case of thorium, an insoluble complex is readily formed. In the case of americium, a behavior identical to that described previously for lutetium has been observed with insoluble and soluble complexes. The comparative study of ATP complexation with Th(IV) and Am(III) shows their ability to form insoluble complexes for which a structural model has been proposed by analogy with previously described Lu(III) complexes.

Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum β-Lactamase and Its Complexes with Moxalactam and Imipenem.

Science.gov (United States)

Pozzi, Cecilia; De Luca, Filomena; Benvenuti, Manuela; Poirel, Laurent; Nordmann, Patrice; Rossolini, Gian Maria; Mangani, Stefano; Docquier, Jean-Denis

2016-12-01

BEL-1 is an acquired class A extended-spectrum β-lactamase (ESBL) found in Pseudomonas aeruginosa clinical isolates from Belgium which is divergent from other ESBLs (maximum identity of 54% with GES-type enzymes). This enzyme is efficiently inhibited by clavulanate, imipenem, and moxalactam. Crystals of BEL-1 were obtained at pH 5.6, and the structure of native BEL-1 was determined from orthorhombic and monoclinic crystal forms at 1.60-Å and 1.48-Å resolution, respectively. By soaking native BEL-1 crystals, complexes with imipenem (monoclinic form, 1.79-Å resolution) and moxalactam (orthorhombic form, 1.85-Å resolution) were also obtained. In the acyl-enzyme complexes, imipenem and moxalactam differ by the position of the α-substituent and of the carbonyl oxygen (in or out of the oxyanion hole). More surprisingly, the Ω-loop, which includes the catalytically relevant residue Glu166, was found in different conformations in the various subunits, resulting in the Glu166 side chain being rotated out of the active site or even in displacement of its Cα atom up to approximately 10 Å. A BEL-1 variant showing the single Leu162Phe substitution (BEL-2) confers a higher level of resistance to CAZ, CTX, and FEP and shows significantly lower K m values than BEL-1, especially with oxyiminocephalosporins. BEL-1 Leu162 is located at the beginning of the Ω-loop and is surrounded by Phe72, Leu139, and Leu148 (contact distances, 3.5 to 3.9 Å). This small hydrophobic cavity could not reasonably accommodate the bulkier Phe162 found in BEL-2 without altering neighboring residues or the Ω-loop itself, thus likely causing an important alteration of the enzyme kinetic properties. Copyright © 2016, American Society for Microbiology. All Rights Reserved.

Gold and Nickel Extended Thiophenic-TTF Bisdithiolene Complexes

Directory of Open Access Journals (Sweden)

Rafaela A. L. Silva

2018-02-01

Full Text Available Gold and nickel bisdithiolene complexes with methyl and tert-butyl substituted thiophenetetrathiafulavalenedithiolate ligands (α-mtdt and α-tbtdt were prepared and characterized. These complexes were obtained, under anaerobic conditions, as tetrabutylammonium salts. The diamagnetic gold monoanion (n-Bu4N[Au(α-mtdt2] (3 and nickel dianionic species (n-Bu4Nx[Ni(α-mtdt2] (x = 1,2 (4 were similar to the related non-substituted extended thiophenic-TTF (TTF = tetrathiafulvalene bisdithiolenes. However the introduction of the large, bulky substituent tert-butyl, led to the formation of a Au (I dinuclear complex, (n-Bu4N2[Au2(α-tbtdt2] (5. The neutral methyl substituted gold and nickel complexes were easily obtained through air or iodine exposure as polycrystalline or amorphous fine powder. [Au(α-mtdt2] (6 and [Ni(α-mtdt2] (7 polycrystalline samples display properties of a metallic system with a room temperature electrical conductivity of 0.32 S/cm and ≈4 S/cm and a thermoelectric power of ≈5 µV/K and ≈32 µV/K, respectively. While [Au(α-mtdt2] (6 presented a Pauli-like magnetic susceptibility typical of conducting systems, in [Ni(α-mtdt2] (7 large magnetic susceptibilities indicative of high spin states were observed. Both electric transport properties and magnetic properties for gold and nickel [M(α-mtdt2] are indicative that these compounds are single component molecular conductors.

Properties of extended inorganic solids predicted/rationalized by ...

Indian Academy of Sciences (India)

Administrator

Due to the vastly complex nature of the problem, guidelines for the preparation of extended inorganic solids with specific electronic properties remain meagre. Here we present the use of First Principles LMTO band structure calculations for the rationalization of the properties of a number of interesting extended solids.

The structure of complex Lie groups

CERN Document Server

Lee, Dong Hoon

2001-01-01

Complex Lie groups have often been used as auxiliaries in the study of real Lie groups in areas such as differential geometry and representation theory. To date, however, no book has fully explored and developed their structural aspects.The Structure of Complex Lie Groups addresses this need. Self-contained, it begins with general concepts introduced via an almost complex structure on a real Lie group. It then moves to the theory of representative functions of Lie groups- used as a primary tool in subsequent chapters-and discusses the extension problem of representations that is essential for studying the structure of complex Lie groups. This is followed by a discourse on complex analytic groups that carry the structure of affine algebraic groups compatible with their analytic group structure. The author then uses the results of his earlier discussions to determine the observability of subgroups of complex Lie groups.The differences between complex algebraic groups and complex Lie groups are sometimes subtle ...

Application of foam-extend on turbulent fluid-structure interaction

Science.gov (United States)

Rege, K.; Hjertager, B. H.

2017-12-01

Turbulent flow around flexible structures is likely to induce structural vibrations which may eventually lead to fatigue failure. In order to assess the fatigue life of these structures, it is necessary to take the action of the flow on the structure into account, but also the influence of the vibrating structure on the fluid flow. This is achieved by performing fluid-structure interaction (FSI) simulations. In this work, we have investigated the capability of a FSI toolkit for the finite volume computational fluid dynamics software foam-extend to simulate turbulence-induced vibrations of a flexible structure. A large-eddy simulation (LES) turbulence model has been implemented to a basic FSI problem of a flexible wall which is placed in a confined, turbulent flow. This problem was simulated for 2.32 seconds. This short simulation required over 200 computation hours, using 20 processor cores. Thereby, it has been shown that the simulation of FSI with LES is possible, but also computationally demanding. In order to make turbulent FSI simulations with foam-extend more applicable, more sophisticated turbulence models and/or faster FSI iteration schemes should be applied.

Synchrotron x-ray fluorescence and extended x-ray absorption fine structure analysis

International Nuclear Information System (INIS)

Chen, J.R.; Gordon, B.M.; Hanson, A.L.; Jones, K.W.; Kraner, H.W.; Chao, E.C.T.; Minkin, J.A.

1984-01-01

The advent of dedicated synchrotron radiation sources has led to a significant increase in activity in many areas of science dealing with the interaction of x-rays with matter. Synchrotron radiation provides intense, linearly polarized, naturally collimated, continuously tunable photon beams, which are used to determine not only the elemental composition of a complex, polyatomic, dilute material but also the chemical form of the elements with improved accuracy. Examples of the application of synchrotron radiation include experiments in synchrotron x-ray fluorescence (SXRF) analysis and extended x-ray absorption fine structure (EXAFS) analysis. New synchrotron radiation x-ray microprobes for elemental analysis in the parts per billion range are under construction at several laboratories. 76 references, 24 figures

Middle Miocene paleotemperature anomalies within the Franciscan Complex of northern California: Thermo-tectonic responses near the Mendocino triple junction

Science.gov (United States)

Underwood, M.B.; Shelton, K.L.; McLaughlin, R.J.; Laughland, M.M.; Solomon, R.M.

1999-01-01

This study documents three localities in the Franciscan accretionary complex of northern California, now adjacent to the San Andreas fault, that were overprinted thermally between 13.9 and 12.2 Ma: Point Delgada-Shelter Cove (King Range terrane); Bolinas Ridge (San Bruno Mountain terrane); and Mount San Bruno (San Bruno Mountain terrane). Vein assemblages of quartz, carbonate, sulfide minerals, and adularia were precipitated locally in highly fractured wall rock. Vitrinite reflectance (Rm) values and illite crystallinity decrease away from the zones of metalliferous veins, where peak wall-rock temperatures, as determined from Rm, were as high as 315??C. The ??18O values of quartz and calcite indicate that two separate types of fluid contributed to vein precipitation. Higher ??18O fluids produced widespread quartz and calcite veins that are typical of the regional paleothermal regime. The widespread veins are by-products of heat conduction and diffuse fluid flow during zeolite and prehnite-pumpellyite-grade metamorphism, and we interpret their paleofluids to have evolved through dehydration reactions and/or extensive isotopic exchange with accreted Franciscan rocks. Lower ??18O fluids, in contrast, evolved from relatively high temperature exchange between seawater (or meteoric water) and basaltic and/or sedimentary host rocks; focused flow of those fluids resulted in local deposition of the metalliferous veins. Heat sources for the three paleothermal anomalies remain uncertain and may have been unrelated to one another. Higher temperature metalliferous fluids in the King Range terrane could have advected either from a site of ridge-trench interaction north of the Mendocino fracture zone or from a "slabless window" in the wake of the northward migrating Mendocino triple junction. A separate paradox involves the amount of Quaternary offset of Franciscan basement rocks near Shelter Cove by on-land faults that some regard as the main active trace of the San Andreas

Angle-resolved photoemission extended fine structure

International Nuclear Information System (INIS)

Barton, J.J.

1985-03-01

Measurements of the Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) from the S(1s) core level of a c(2 x 2)S/Ni(001) are analyzed to determine the spacing between the S overlayer and the first and second Ni layers. ARPEFS is a type of photoelectron diffraction measurement in which the photoelectron kinetic energy is swept typically from 100 to 600 eV. By using this wide range of intermediate energies we add high precision and theoretical simplification to the advantages of the photoelectron diffraction technique for determining surface structures. We report developments in the theory of photoelectron scattering in the intermediate energy range, measurement of the experimental photoemission spectra, their reduction to ARPEFS, and the surface structure determination from the ARPEFS by combined Fourier and multiple-scattering analyses. 202 refs., 67 figs., 2 tabs

Microprobe monazite constraints for and early (ca. 790 Ma) Braziliano orogeny: The Embu Terrane, southeastern Brazil

International Nuclear Information System (INIS)

Vlach, Silvio R.F

2001-01-01

The evolution of the Mantiqueira Orogenetic System, Southeastern Brazil, comprises discrete episodes of tectonic collage and docking of remnants of Rodinia break-up in the borders of the Sao Francisco Craton. This system is related to the closure of the Adamastor ocean and assemblage of the western Gondwana super-continent during Neoproterozoic times (ca. 610-530 Ma, Brito Neves et al., 1999; Campos Neto, 2000). This report presents monazite microprobe dating results for metassediments from the Embu Complex, an important lithological unit from the Ribeira Belt, currently included in the Juiz de Fora terrane, a unit added to the Sao Francisco Craton at ca. 600-580 Ma. (Campos Neto, 2000). The age results unravel a main metamorphic episode and related orogeny at ca. 790 Ma and bring new insights concerning the agglutination of Gondwana in this region during the Neoproterozoic (au)

Structural Characterization of Am(III)- and Pu(III)-DOTA Complexes.

Science.gov (United States)

Audras, Matthieu; Berthon, Laurence; Berthon, Claude; Guillaumont, Dominique; Dumas, Thomas; Illy, Marie-Claire; Martin, Nicolas; Zilbermann, Israel; Moiseev, Yulia; Ben-Eliyahu, Yeshayahu; Bettelheim, Armand; Cammelli, Sebastiano; Hennig, Christoph; Moisy, Philippe

2017-10-16

The complexation of 1,4,7,10-tetrazacyclodecane-1,4,7,10-tetraacetic acid (DOTA) ligand with two trivalent actinides (Am 3+ and Pu 3+ ) was investigated by UV-visible spectrophotometry, NMR spectroscopy, and extended X-ray absorption fine structure in conjunction with computational methods. The complexation process of these two cations is similar to what has been previously observed with lanthanides(III) of similar ionic radius. The complexation takes place in different steps and ends with the formation of a (1:1) complex [(An(III)DOTA)(H 2 O)] - , where the cation is bonded to the nitrogen atoms of the ring, the four carboxylate arms, and a water molecule to complete the coordination sphere. The formation of An(III)-DOTA complexes is faster than the Ln(III)-DOTA systems of equivalent ionic radius. Furthermore, it is found that An-N distances are slightly shorter than Ln-N distances. Theoretical calculations showed that the slightly higher affinity of DOTA toward Am over Nd is correlated with slightly enhanced ligand-to-metal charge donation arising from oxygen and nitrogen atoms.

Parasites affect food web structure primarily through increased diversity and complexity.

Directory of Open Access Journals (Sweden)

Jennifer A Dunne

Full Text Available Comparative research on food web structure has revealed generalities in trophic organization, produced simple models, and allowed assessment of robustness to species loss. These studies have mostly focused on free-living species. Recent research has suggested that inclusion of parasites alters structure. We assess whether such changes in network structure result from unique roles and traits of parasites or from changes to diversity and complexity. We analyzed seven highly resolved food webs that include metazoan parasite data. Our analyses show that adding parasites usually increases link density and connectance (simple measures of complexity, particularly when including concomitant links (links from predators to parasites of their prey. However, we clarify prior claims that parasites "dominate" food web links. Although parasites can be involved in a majority of links, in most cases classic predation links outnumber classic parasitism links. Regarding network structure, observed changes in degree distributions, 14 commonly studied metrics, and link probabilities are consistent with scale-dependent changes in structure associated with changes in diversity and complexity. Parasite and free-living species thus have similar effects on these aspects of structure. However, two changes point to unique roles of parasites. First, adding parasites and concomitant links strongly alters the frequency of most motifs of interactions among three taxa, reflecting parasites' roles as resources for predators of their hosts, driven by trophic intimacy with their hosts. Second, compared to free-living consumers, many parasites' feeding niches appear broader and less contiguous, which may reflect complex life cycles and small body sizes. This study provides new insights about generic versus unique impacts of parasites on food web structure, extends the generality of food web theory, gives a more rigorous framework for assessing the impact of any species on trophic

The Ellsworth terrane, coastal Maine: Geochronology, geochemistry, and Nd-Pb isotopic composition - Implications for the rifting of Ganderia

Science.gov (United States)

Schulz, K.J.; Stewart, D.B.; Tucker, R.D.; Pollock, J.C.; Ayuso, R.A.

2008-01-01

The Ellsworth terrane is one of a number of fault-bounded blocks that occur along the eastern margin of Ganderia, the western-most of the peri-Gondwanan domains in the northern Appalachians that were accreted to Laurentia in the Paleozoic. Geologic relations, detrital zircon ages, and basalt geochemistry suggest that the Ellsworth terrane is part of Ganderia and not an exotic terrane. In the Penobscot Bay area of coastal Maine, the Ellsworth terrane is dominantly composed of bimodal basalt-rhyolite volcanic sequences of the Ellsworth Schist and unconformably overlying Castine Volcanics. We use new U-Pb zircon geochronology, geochemistry, and Nd and Pb isotopes for these volcanic sequences to constrain the petrogenetic history and paleotectonic setting of the Ellsworth terrane and its relationship with Ganderia. U-Pb zircon geochronology for rhyolites indicates that both the Ellsworth Schist (508.6 ?? 0.8 Ma) and overlying Castine Volcanics (503.5 ?? 2.5 Ma) are Middle Cambrian in age. Two tholefitic basalt types are recognized. Type Tb-1 basalt, present as pillowed and massive lava flows and as sills in both units, has depleted La and Ce ([La/Nd]N = 0.53-0.87) values, flat heavy rare earth element (REE) values, and no positive Th or negative Ta anomalies on primitive mantle-normalized diagrams. In contrast, type Th-2 basalt, present only in the Castine Volcanics, has stightly enriched LREE ([La/Yb]N = 1.42-2.92) values and no Th or Th anomalies. Both basalt types have strongly positive ??Nd (500) values (Th-1 = +7.9-+8.6; Th-2 = +5.6-+7.0) and relatively enriched Pb isotopic compositions (206Ph/204Pb = 18.037-19.784; 207/204Pb = 15.531-15.660; 2088Pb/204Pb = 37.810-38.817). The basalts have compositions transitional between recent normal and enriched mid-ocean-ridge basalt, and they were probably derived by partial melting of compositionatly heterogeneous asthenosphenc mantle. Two types of rhyolite also are present. Type R-1 rhyolite, which mostly occurs as tuffs

Lithospheric discontinuities beneath the U.S. Midcontinent - signatures of Proterozoic terrane accretion and failed rifting

Science.gov (United States)

Chen, Chen; Gilbert, Hersh; Fischer, Karen M.; Andronicos, Christopher L.; Pavlis, Gary L.; Hamburger, Michael W.; Marshak, Stephen; Larson, Timothy; Yang, Xiaotao

2018-01-01

Seismic discontinuities between the Moho and the inferred lithosphere-asthenosphere boundary (LAB) are known as mid-lithospheric discontinuities (MLDs) and have been ascribed to a variety of phenomena that are critical to understanding lithospheric growth and evolution. In this study, we used S-to-P converted waves recorded by the USArray Transportable Array and the OIINK (Ozarks-Illinois-Indiana-Kentucky) Flexible Array to investigate lithospheric structure beneath the central U.S. This region, a portion of North America's cratonic platform, provides an opportunity to explore how terrane accretion, cratonization, and subsequent rifting may have influenced lithospheric structure. The 3D common conversion point (CCP) volume produced by stacking back-projected Sp receiver functions reveals a general absence of negative converted phases at the depths of the LAB across much of the central U.S. This observation suggests a gradual velocity decrease between the lithosphere and asthenosphere. Within the lithosphere, the CCP stacks display negative arrivals at depths between 65 km and 125 km. We interpret these as MLDs resulting from the top of a layer of crystallized melts (sill-like igneous intrusions) or otherwise chemically modified lithosphere that is enriched in water and/or hydrous minerals. Chemical modification in this manner would cause a weak layer in the lithosphere that marks the MLDs. The depth and amplitude of negative MLD phases vary significantly both within and between the physiographic provinces of the midcontinent. Double, or overlapping, MLDs can be seen along Precambrian terrane boundaries and appear to result from stacked or imbricated lithospheric blocks. A prominent negative Sp phase can be clearly identified at 80 km depth within the Reelfoot Rift. This arrival aligns with the top of a zone of low shear-wave velocities, which suggests that it marks an unusually shallow seismic LAB for the midcontinent. This boundary would correspond to the top of a

Full-potential theoretical investigations of electron inelastic mean free paths and extended x-ray absorption fine structure in molybdenum

International Nuclear Information System (INIS)

Chantler, C T; Bourke, J D

2014-01-01

X-ray absorption fine structure (XAFS) spectroscopy is one of the most robust, adaptable, and widely used structural analysis tools available for a range of material classes from bulk solids to aqueous solutions and active catalytic structures. Recent developments in XAFS theory have enabled high-accuracy calculations of spectra over an extended energy range using full-potential cluster modelling, and have demonstrated particular sensitivity in XAFS to a fundamental electron transport property—the electron inelastic mean free path (IMFP). We develop electron IMFP theory using a unique hybrid model that simultaneously incorporates second-order excitation losses, while precisely accounting for optical transitions dictated by the complex band structure of the solid. These advances are coupled with improved XAFS modelling to determine wide energy-range absorption spectra for molybdenum. This represents a critical test case of the theory, as measurements of molybdenum K-edge XAFS represent the most accurate determinations of XAFS spectra for any material. We find that we are able to reproduce an extended range of oscillatory structure in the absorption spectrum, and demonstrate a first-time theoretical determination of the absorption coefficient of molybdenum over the entire extended XAFS range utilizing a full-potential cluster model. (paper)

Structural motifs of diiodine complexes with amides and thioamides.

Science.gov (United States)

Parigoridi, Ioanna-Efpraxia; Corban, Ghada J; Hadjikakou, Sotiris K; Hadjiliadis, Nick; Kourkoumelis, Nikolaos; Kostakis, George; Psycharis, Vassilis; Raptopoulou, Catherine P; Kubicki, Maciej

2008-10-14

The reaction of 2-pyrimidone hydrochloride ([C(4)H(5)N(2)O](+)[Cl](-) or [PMOH(2)](+)[Cl](-)) with diiodine in a dichloromethane-methanol solution resulted in the formation of ([C(4)H(5)N(2)O](+))(2)[I(2)Cl(2)](2-) (1) complex. The compound was characterized by elemental analysis, FT-IR, DTA-TG and conductivity titrations. The crystal structure of 1 was also determined by X-ray diffraction at 294(1) K. Compound 1 is monoclinic, space group P2(1)/n, consisting of two cationic [PMOH(2)](+) species and a [I(2)Cl(2)](2-) counter dianion. The cation is in its keto form. Direct reaction of thiazolidine-2-thione (tzdtH), with diiodine in dichloromethane solution, on the other hand, led to the formation of a crystalline solid which contained two complexes of formulae [(tzdtH)(2)I](+)[I(3)](-).2I(2) (2) and [(tzdtH)I(2)](2).I(2) (2a) in a ratio of 90 to 10%. Complex 2a was characterized by X-ray analysis at 180(2) K. Compound is monoclinic, space group C2/c and contains two units of [(tzdtH)I(2)] "spoke" structures. Compound 1, as well as the known species iodonium salt [(tzdtH)(2)I](+)[I(3)](-).2I(2) (2) and the charge transfer (CT) iodine complexes of formulae [(bztzdtH)I(2)] (3) and [(bztzdtH)I(2)].I(2) (4) (bztzdtH = 2-mercaptobenzothiazole) with "spoke" and extended "spoke" structures respectively, were tested for their oxidizing activity towards 3,5-di-tert-butylcatechol to 3,5-di-tert-butyl-o-benzoquinone.

Crustal structure across the NE Tibetan Plateau and Ordos Block from the joint inversion of receiver functions and Rayleigh-wave dispersions

Science.gov (United States)

Li, Yonghua; Wang, Xingchen; Zhang, Ruiqing; Wu, Qingju; Ding, Zhifeng

2017-05-01

We investigated the crustal structure at 34 stations using the H-κ stacking method and jointly inverting receiver functions with Rayleigh-wave phase and group velocities. These seismic stations are distributed along a profile extending across the Songpan-Ganzi Terrane, Qinling-Qilian terranes and southwestern Ordos Basin. Our results reveal the variation in crustal thickness across this profile. We found thick crust beneath the Songpan-Ganzi Terrane (47-59 km) that decreases to 45-47 km in the west Qinling and Qilian terranes, and reaches its local minimum beneath the southwestern Ordos Block (43-51 km) at an average crustal thickness of 46.7 ± 2.5 km. A low-velocity zone in the upper crust was found beneath most of the stations in NE Tibet, which may be indicative of partial melt or a weak detachment layer. Our observations of low to moderate Vp/Vs (1.67-1.79) represent a felsic to intermediate crustal composition. The shear velocity models estimated from joint inversions also reveal substantial lateral variations in velocity beneath the profile, which is mainly reflected in the lower crustal velocities. For the Ordos Block, the average shear wave velocities below 20 km are 3.8 km/s, indicating an intermediate-to-felsic lower crust. The thick NE Tibet crust is characterized by slow shear wave velocities (3.3-3.6 km/s) below 20 km and lacks high-velocity material (Vs ≥ 4.0 km/s) in the lower crust, which may be attributed to mafic lower crustal delamination or/and the thickening of the upper and middle crust.

A series of Cd(II) complexes with π-π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands

International Nuclear Information System (INIS)

Wang Xiuli; Zhang Jinxia; Liu Guocheng; Lin Hongyan

2011-01-01

Seven new Cd(II) complexes consisting of different phenanthroline derivatives and organic acid ligands, formulated as [Cd(PIP) 2 (dnba) 2 ] (1), [Cd(PIP)(ox)].H 2 O (2), [Cd(PIP)(1,4-bdc)(H 2 O)].4H 2 O (3), [Cd(3-PIP) 2 (H 2 O) 2 ].4H 2 O (4), [Cd 2 (3-PIP) 4 (4,4'-bpdc)(H 2 O) 2 ].5H 2 O (5), [Cd(3-PIP)(nip)(H 2 O)].H 2 O (6), [Cd 2 (TIP) 4 (4,4'-bpdc)(H 2 O) 2 ].3H 2 O (7) (PIP=2-phenylimidazo[4,5-f]1,10-phenanthroline, 3-PIP=2-(3-pyridyl)imidazo[4,5-f]1,10-phenanthroline, TIP=2-(2-thienyl)imidazo[4,5-f]1,10-phenanthroline, Hdnba=3,5-dinitrobenzoic acid, H 2 ox=oxalic acid, 1,4-H 2 bdc=benzene-1,4-dicarboxylic acid, 4,4'-H 2 bpdc=biphenyl-4,4'-dicarboxylic acid, H 2 nip=5-nitroisophthalic acid) have been synthesized under hydrothermal conditions. Complexes 1 and 4 possess mononuclear structures; complexes 5 and 7 are isostructural and have dinuclear structures; complexes 2 and 3 feature 1D chain structures; complex 6 contains 1D double chain, which are further extended to a 3D supramolecular structure by π-π stacking and hydrogen bonding interactions. The N-donor ligands with extended π-system and organic acid ligands play a crucial role in the formation of the final supramolecular frameworks. Moreover, thermal properties and fluorescence of 1-7 are also investigated. -- Graphical abstract: Seven new supramolecular architectures have been successfully isolated under hydrothermal conditions by reactions of different phen derivatives and Cd(II) salts together with organic carboxylate anions auxiliary ligands. Display Omitted Research highlights: → Complexes 1-7 are 0D or 1D polymeric structure, the π-π stacking and H-bonding interactions extend the complexes into 3D supramolecular network. To our knowledge, systematic study on π-π stacking and H-bonding interactions in cadmium(II) complexes are still limited. → The structural differences among the title complexes indicate the importance of N-donor chelating ligands for the creation of molecular

Extended spider cognition.

Science.gov (United States)

Japyassú, Hilton F; Laland, Kevin N

2017-05-01

There is a tension between the conception of cognition as a central nervous system (CNS) process and a view of cognition as extending towards the body or the contiguous environment. The centralised conception requires large or complex nervous systems to cope with complex environments. Conversely, the extended conception involves the outsourcing of information processing to the body or environment, thus making fewer demands on the processing power of the CNS. The evolution of extended cognition should be particularly favoured among small, generalist predators such as spiders, and here, we review the literature to evaluate the fit of empirical data with these contrasting models of cognition. Spiders do not seem to be cognitively limited, displaying a large diversity of learning processes, from habituation to contextual learning, including a sense of numerosity. To tease apart the central from the extended cognition, we apply the mutual manipulability criterion, testing the existence of reciprocal causal links between the putative elements of the system. We conclude that the web threads and configurations are integral parts of the cognitive systems. The extension of cognition to the web helps to explain some puzzling features of spider behaviour and seems to promote evolvability within the group, enhancing innovation through cognitive connectivity to variable habitat features. Graded changes in relative brain size could also be explained by outsourcing information processing to environmental features. More generally, niche-constructed structures emerge as prime candidates for extending animal cognition, generating the selective pressures that help to shape the evolving cognitive system.

Structure and tectonics of the northwestern United States from EarthScope USArray magnetotelluric data

Science.gov (United States)

Bedrosian, Paul A.; Feucht, Daniel W.

2014-01-01

The magnetotelluric component of the EarthScope USArray program has covered over 35% of the continental United States. Resistivity tomography models derived from these data image lithospheric structure and provide constraints on the distribution of fluids and melt within the lithosphere. We present a three-dimensional resistivity model of the northwestern United States which provides new insight into the tectonic assembly of western North America from the Archean to present. Comparison with seismic tomography models reveals regions of correlated and anti-correlated resistivity and velocity that help identify thermal and compositional variations within the lithosphere. Recent (Neogene) tectonic features reflected in the model include the subducting Juan de Fuca–Gorda plate which can be traced beneath the forearc to more than 100 km depth, high lithospheric conductivity along the Snake River Plain, and pronounced lower-crustal and upper-mantle conductivity beneath the Basin and Range. The latter is abruptly terminated to the northwest by the Klamath–Blue Mountains Lineament, which we interpret as an important structure during and since the Mesozoic assembly of the region. This boundary is interpreted to separate hot extended lithosphere from colder, less extended lithosphere. The western edge of Proterozoic North America, as indicated by the Cretaceous initial 87Sr/86Sr = 0.706 contour, is clearly reflected in the resistivity model. We further image an Archean crustal block (“Pend Oreille block”) straddling the Washington/Idaho border, which we speculate separated from the Archean Medicine Hat block in the Proterozoic. Finally, in the modern Cascades forearc, the geometry and internal structure of the Eocene Siletz terrane is reflected in the resistivity model. The apparent eastern edge of the Siletz terrane under the Cascades arc suggests that pre-Tertiary rocks fill the Washington and Oregon back-arc.

Complexation thermodynamics and structural studies of trivalent actinide and lanthanide complexes with DTPA, MS-325 and HMDTPA

Energy Technology Data Exchange (ETDEWEB)

Thakur, P.; Choppin, G.R. [Florida State Univ., Tallahassee, FL (United States). Dept. of Chemistry and Biochemistry; Conca, J.L. [RJ Lee Group, Inc., Pasco, WA (United States). Center for Lab. Sciences; Dodge, C.J. [Brookhaven National Laboratory, Upton, NY (United States); Francis, A.J. [Brookhaven National Laboratory, Upton, NY (United States); Pohang Univ. of Science and Technology (Korea, Republic of). Div. of Advanced Nuclear Engineering

2013-05-01

The protonation constants of DTPA (diethylenetriaminepentaacetic acid) and two derivatives of DTPA, 1-R(4,4-diphenyl cyclohexyl-phosphonyl-methyl diethylenentriaminepentaacetic acid) (MS-325) and (R)-hydroxymethyl-diethylenentriaminepentaacetic acid (HMDTPA) were determined by potentiometric titration in 0.1 M NaClO{sub 4}. The formation of 1: 1 complexes of Am{sup 3+}, Cm{sup 3+} and Ln{sup 3+} cations with these three ligands were investigated by potentiometric titration with competition by ethylenediaminetetraacetic acid (EDTA) and the solvent extraction method in aqueous solutions of I=0.10 M NaClO{sub 4}. The thermodynamic data of complexation were determined by the temperature dependence of the stability constants and by calorimetry. The complexation is exothermic and becomes weaker with increase in temperature. The complexation strength of these ligands follows the order: DTPA {approx} HMDTPA > MS-325. Eu{sup 3+}/Cm{sup 3+} luminescence, EXAFS (Extended X-ray Absorption Fine Structure) and DFT (Density Functional Theory) calculations suggest that all three ligands are octadentate in the complex. In the complex, M(L){sup 2-} (L = DTPA, MS-325 and HMDTPA). The M{sup 3+} binds via five carboxylates oxygen atoms, three nitrogen atoms, and the complex contains one water of hydration. (orig.)

Structure-based characterization of multiprotein complexes.

Science.gov (United States)

Wiederstein, Markus; Gruber, Markus; Frank, Karl; Melo, Francisco; Sippl, Manfred J

2014-07-08

Multiprotein complexes govern virtually all cellular processes. Their 3D structures provide important clues to their biological roles, especially through structural correlations among protein molecules and complexes. The detection of such correlations generally requires comprehensive searches in databases of known protein structures by means of appropriate structure-matching techniques. Here, we present a high-speed structure search engine capable of instantly matching large protein oligomers against the complete and up-to-date database of biologically functional assemblies of protein molecules. We use this tool to reveal unseen structural correlations on the level of protein quaternary structure and demonstrate its general usefulness for efficiently exploring complex structural relationships among known protein assemblies. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Complex/Symplectic Mirrors

Energy Technology Data Exchange (ETDEWEB)

Chuang, Wu-yen; Kachru, Shamit; /Stanford U., ITP /SLAC; Tomasiello, Alessandro; /Stanford U., ITP

2005-10-28

We construct a class of symplectic non-Kaehler and complex non-Kaehler string theory vacua, extending and providing evidence for an earlier suggestion by Polchinski and Strominger. The class admits a mirror pairing by construction. Comparing hints from a variety of sources, including ten-dimensional supergravity and KK reduction on SU(3)-structure manifolds, suggests a picture in which string theory extends Reid's fantasy to connect classes of both complex non-Kaehler and symplectic non-Kaehler manifolds.

Extended x-ray absorption fine structure (EXAFS): a novel probe for local structure of glassy solids

International Nuclear Information System (INIS)

Wong, J.

1979-01-01

The extended x-ray absorption fine structure (EXAFS) is the oscillation in the absorption coefficient extending a few hundred eVs on the high energy side of an x-ray absorption edge. This mode of spectroscopy has recently been realized to be a powerful tool in probing the local atomic structure of all states of matter, particularly with the advent of intense synchrotron radiation. More importantly is the unique ability of EXAFS to probe the structure and dynamics around individual atomic species in a multi-atomic system. In this paper, the physical processes associated with the EXAFS phenomenon will be discussed. Experimental results obtained at the Stanford Synchrotron Radiation Laboratory on some oxide and metallic glasses will be presented. The local structure in these materials are elucidated using a Fourier transform technique

New evidence for Oligocene to Recent slip along the San Juan fault, a terrane-bounding structure within the Cascadia forearc of southern British Columbia, Canada

Science.gov (United States)

Harrichhausen, N.; Morell, K. D.; Regalla, C.; Lynch, E. M.

2017-12-01

Active forearc deformation in the southern Cascadia subduction zone is partially accommodated by faults in the upper crust in both Washington state and Oregon, but until recently, these types of active forearc faults have not been documented in the northern part of the Cascadia forearc on Vancouver Island, British Columbia. Here we present new evidence for Quaternary slip on the San Juan fault that indicates that this terrane-bounding structure has been reactivated since its last documented slip in the Eocene. Field work targeted by newly acquired hi-resolution lidar topography reveals a deformed debris flow channel network developed within colluvium along the central portion of the San Juan fault, consistent with a surface-rupturing earthquake with 1-2 m of offset since deglaciation 13 ka. Near the western extent of the San Juan fault, marine sediments are in fault contact with mélange of the Pandora Peak Unit. These marine sediments are likely Oligocene or younger in age, given their similarity in facies and fossil assemblages to nearby outcrops of the Carmanah Group sediments, but new dating using strontium isotope stratigraphy will confirm this hypothesis. If these sediments are part of the Carmanah Group, they occur further east and at a higher elevation than previously documented. The presence of Oligocene or younger marine sediments, more than 400 meters above current sea level, requires a substantial amount of Neogene rock uplift that could have been accommodated by slip on the San Juan fault. A preliminary analysis of fault slickensides indicates a change in slip sense from left-lateral to normal along the strike of the fault. Until further mapping and analysis is completed, however, it remains unclear whether this kinematic change reflects spatial and/or temporal variability. These observations suggest that the San Juan fault is likely part of a network of active faults accommodating forearc strain on Vancouver Island. With the recent discovery of

Middle to Late Jurassic Tectonic Evolution of the Klamath Mountains, California-Oregon

Science.gov (United States)

Harper, Gregory D.; Wright, James E.

1984-12-01

The geochronology, stratigraphy, and spatial relationships of Middle and Late Jurassic terranes of the Klamath Mountains strongly suggest that they were formed in a single west-facing magmatic arc built upon older accreted terranes. A Middle Jurassic arc complex is represented by the volcanic rocks of the western Hayfork terrane and consanguineous dioritic to peridotitic plutons. New U/Pb zircon dates indicate that the Middle Jurassic plutonic belt was active from 159 to 174 Ma and is much more extensive than previously thought. This plutonic belt became inactive just as the 157 Ma Josephine ophiolite, which lies west and structurally below the Middle Jurassic arc, was generated. Late Jurassic volcanic and plutonic arc rocks (Rogue Formation and Chetco intrusive complex) lie outboard and structurally beneath the Josephine ophiolite; U/Pb and K/Ar age data indicate that this arc complex is coeval with the Josephine ophiolite. Both the Late Jurassic arc complex and the Josephine ophiolite are overlain by the "Galice Formation," a Late Jurassic flysch sequence, and are intruded by 150 Ma dikes and sills. The following tectonic model is presented that accounts for the age and distribution of these terranes: a Middle Jurassic arc built on older accreted terranes undergoes rifting at 160 Ma, resulting in formation of a remnant arc/back-arc basin/island arc triad. This system collapsed during the Late Jurassic Nevadan Orogeny (150 Ma) and was strongly deformed and stacked into a series of east-dipping thrust sheets. Arc magmatism was active both before and after the Nevadan Orogeny, but virtually ceased at 140 Ma.

Late Cretaceous tectonothermal evolution of the southern Lhasa terrane, South Tibet: Consequence of a Mesozoic Andean-type orogeny

Science.gov (United States)

Dong, Xin; Zhang, Ze-ming; Klemd, Reiner; He, Zhen-yu; Tian, Zuo-lin

2018-04-01

The Lhasa terrane of the southern Tibetan Plateau participated in a Mesozoic Andean-type orogeny caused by the northward subduction of the Neo-Tethyan oceanic lithosphere. However, metamorphic rocks, which can unravel details of the geodynamic evolution, are rare and only exposed in the south-eastern part of the Lhasa terrane. Therefore, we conducted a detailed petrological, geochemical and U-Pb zircon geochronological study of the late Cretaceous metamorphic rocks and associated gabbros from the Nyemo inlier of the southern Lhasa terrane. The Nyemo metamorphic rocks including gneisses, schists, marbles and calc-silicate rocks, experienced peak amphibolite-facies contact metamorphism under P-T conditions of 3.5-4.0 kbar and 642-657 °C with a very high geothermal gradient of 45-50 °C/km, revealing a distinct deflection from the steady-state geotherm during low-pressure metamorphism. Inherited magmatic zircon cores from the metamorphic rocks yielded protolith ages of 197-194 Ma, while overgrowth zircon rims yielded metamorphic ages of ca. 86 Ma. Whole-rock chemistry and zircon Hf isotopes suggest that the protoliths of the gneisses and schists are andesites and tuffs of the early Jurassic Sangri Group, which were derived from a depleted mantle source of a continental arc affinity. The coeval intimately-associated gabbro (ca. 86 Ma) crystallized under P-T conditions of 3.5-5.3 kbar and 914-970 °C, supplying the heat flux high enough to cause the contact metamorphism of the Sangri Group rock types. We propose that the intrusion of the gabbro and a simultaneous pressure increase of up to 4.0 kbar, which is related to crustal thickening due to crustal overthrusting and the intrusion of mafic material, resulted in the late Cretaceous metamorphism of the early Jurassic Sangri Group during an Andean-type orogeny. Furthermore the Nyemo metamorphic rocks, which have previously been considered to represent slivers of the Precambrian metamorphic basement of the Lhasa terrane

Virtual Field and Internal Structure of Half-Dressed Extended Particles

International Nuclear Information System (INIS)

Compagno, G.; Persico, F.

1988-01-01

A new method is proposed to investigate the internal geometrical structure of an extended particle surrounded by an incomplete virtual dressing field. This method involves analysing the time-dependent virtual field at large distances from the particle, without any direct interaction with the latter. As an example, the pulselike, time-dependent virtual field of an extended QED source is investigated using a model which has a well-known counterpart in meson theory. In the framework of nonrelativistic QED it is shown that, contrary to the case of a point source, the pulse has finite width and height. For the case of a spherically symmetric source, it is explicitly shown that the width and shape of the pulse at distance r from the particle depend on the parameters determining the space structure of the source. It is concluded that the study of the field of half-dressed particles may provide a new method to investigate their internal structure

Detrital zircon provenance from three turbidite depocenters of the Middle-Upper Triassic Songpan-Ganzi complex, central China: Record of collisional tectonics, erosional exhumation, and sediment production

Science.gov (United States)

Weislogel, A.L.; Graham, S.A.; Chang, E.Z.; Wooden, J.L.; Gehrels, G.E.

2010-01-01

To test the idea that the voluminous upper Middle to Upper Triassic turbidite strata in the Songpan-Ganzi complex of central China archive a detrital record of Dabie ultrahigh-pressure (UHP) terrane unroofing, we report 2080 single detrital U-Pb zircon ages by sensitive high-resolution ion microprobe-reverse geometry (SHRIMP-RG) and laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) analysis from 29 eastern Songpan-Ganzi complex sandstone samples. Low (Th/U zircons, consistent with crystallization under UHP conditions, are rare in eastern Songpan-Ganzi complex zircon, and U-Pb ages of low Th/U zircons are incompatible with a Dabie terrane source. An unweighted pair group method with arithmetic mean nearest-neighbor analysis of Kolmogorov-Smirnov two-sample test results reveals that the eastern Songpan-Ganzi complex is not a single contiguous turbidite system but is instead composed of three subsidiary depocenters, each associated with distinct sediment sources. The northeastern depocenter contains zircon ages characterized by Paleozoic and bimodally distributed Precambrian zircon populations, which, together with south-to southeast-directed paleocurrent data, indicate derivation from the retro-side of the Qinling-Dabie (Q-D) collisional orogen wedge. In the central depocenter, the dominantly Paleozoic detrital zircon signature and south-to southwest-oriented paleocurrent indicators reflect a profusion of Paleozoic zircon grains. These data are interpreted to reflect an influx of material derived from erosion of Paleozoic supra-UHP rocks of the Dabie terrane in the eastern Qinling-Dabie orogen, which we speculate may have been enhanced by development of a monsoonal climate. This suggests that erosional unroofing played a significant role in the initial phase of UHP exhumation and likely influenced the petrotectonic and structural evolution of the Qinling-Dabie orogen, as evidenced by compressed Triassic isotherms/grads reported in the Huwan

Structure, Dynamics, and Kinetics of Weak Protein-Protein Complexes from NMR Spin Relaxation Measurements of Titrated Solutions

International Nuclear Information System (INIS)

Salmon, L.; Licinio, A.; Jensen, M.R.; Blackledge, M.; Ortega Roldan, J.L.; Van Nuland, N.; Lescop, E.

2011-01-01

We have recently presented a titration approach for the determination of residual dipolar couplings (RDCs) from experimentally inaccessible complexes. Here, we extend this approach to the measurement of 15 N spin relaxation rates and demonstrate that this can provide long-range structural, dynamic, and kinetic information about these elusive systems. (authors)

Punta del este terrane: meso proterozoic basement and neo proterozoic cover

International Nuclear Information System (INIS)

Preciozzi, F.; Sanchez Bettucci, L.; Basei, M.; Peel, E.; Oyhantcabal, P.; Cordani, U.

2003-01-01

Full text: Eastern basement of Uruguay consists of Meso and Neoproterozoic rocks. Mesoproterozoic basement had been deformed by pre-Brasiliano and Brasiliano events. Regional variations in this basement and in the Neoproterozoic cover show equivalent deformation styles and intensities. Models proposed for tectonic evolution have been scarce and confusing. Specially, the ones that concern the moment of collision and/or juxtaposition of blocks. The Punta del Este Terrane (PET) is composed of gneisses and migmatites formed between 1000 Ma to 900 Ma (Preciozzi et al., 2001). These rocks had been strongly reworked during Brasiliano and Rio Doce orogenesis (ca. 900-500 Ma). This crustal segment represents a high grade metamorphic terrane, which is correlated to some gneissic complexes southwest of Africa. Particularly, it is correlated to Kibaran-Namaqua Belt in Namibia. U-Pb ages between 1000 Ma and 900 Ma, obtained in zircons from tonalitic granitoids, are interpreted as indicative of their crystallization (Fig. 1). Besides, anatectic fluids related to migmatites leucosomes yielded ages of ca. 520 to 540 Ma. This denotes that superimposed metamorphic conditions during Brasiliano orogenesis reached, at least, lower amphibolite facies. PET basement gneisses present Sm-Nd model ages (TDM) between 2.4 to 1.8 Ga, showing long crustal residence, corroborated by the very negative εNd values of –1.3 and –14.3. During Brazilian orogenesy they were affected by deformation processes and anatexis. Metasedimentary PET cover occurs near La Paloma and Rocha towns. It is represented by a siliciclastic metasedimentary succession corresponding to the Rocha formation. In La Pedrera town recognized three sedimentary facies were (1-3): (1) sandstones and pelites; (2) green pelites; and (3) rhytmites. The transition from facies (1) to facies (3) shows the passage from fluvial environment with tidal influence to tidal flat with predominance of sub tidal deposits (Pazos and S�

North America as an exotic terrane'' and the origin of the Appalachian--Andean Mountain system

Energy Technology Data Exchange (ETDEWEB)

Dalziel, I.W.D; Gahagan, L.M. (Univ. of Texas, Austin, TX (United States). Inst. for Geophysics); Dalla Salda, L.H. (Univ. Nacional de La Plata, La Plata (Argentina). Centro de Investigaciones Geologicas)

1992-01-01

North America was sutured to Gondwana in the terminal Alleghanian event of Appalachian orogenesis, thus completing the late Paleozoic assembly of Pangea. The suggestion that the Pacific margins of East Antarctica-Australia and Laurentia may have been juxtaposed during the Neoproterozoic prompts reevaluation of the widely held assumptions that the ancestral Appalachian margin rifted from northwestern Africa during the earliest Paleozoic opening of Iapetus, and remained juxtaposed to that margin, even though widely separated from it at times, until the assembly of Pangea. The lower Paleozoic carbonate platform of northwestern Argentina has been known for a long time to contain Olenellid trilobites of the Pacific or Columbian realm. Although normally regarded as some kind of far-travelled terrane that originated along the Appalachian margin of Laurentia, it has recently been interpreted as a fragment detached from the Ouachita embayment of Laurentia following Taconic-Famatinian collision with Gondwana during the Ordovician. The Oaxaca terrane of Mexico, on the other hand, contains a Tremadocian trilobite fauna of Argentine-Bolivian affinities, and appears to have been detached from Gondwana following the same collision. The Wilson cycle'' of Iapetus ocean basin opening and closing along the Appalachian and Andean orogens may have involved more than one such continental collision during clockwise drift of Laurentia around South America following late Neoproterozoic to earliest Cambrian separation. Together with the collisions of baltic and smaller terranes with Laurentia, this could explain the protracted Paleozoic orogenic history of both the Appalachian and proto-Andean orogens.

Early Cretaceous I-type granites in the Tengchong terrane: New constraints on the late Mesozoic tectonic evolution of southwestern China

Directory of Open Access Journals (Sweden)

Yi Fang

2018-03-01

Full Text Available The Early Cretaceous granitoids that are widespread in the Tengchong terrane of Southwest China play a critical role in understanding the tectonic framework associated with the Tethyan oceans. In this study, we present a detailed description of zircon U–Pb ages, whole-rock geochemistry and Hf isotopes for the Laoxiangkeng pluton in the eastern Tengchong terrane and elucidate their petrogenesis and geodynamic implications. Zircon U–Pb dating of the Laoxiangkeng pluton yields ages of 114 ± 1 Ma and 115 ± 1 Ma, which imply an Early Cretaceous magmatic event. The Laoxiangkeng pluton enriched in Si and Na, is calc-alkaline and metaluminous, and has the characteristics of highly fractionated I-type granites. Zircons from the pluton have calculated εHf(t values of −12.7 to −3.7 and two-stage model ages of 1327–1974 Ma, respectively, indicating a mixed source of partial melting of Paleo-Neoproterozoic crust-derived compositions with some inputs of mantle-derived magmas. By integrating all available data for the regional tectonic evolution of the eastern Tethys tectonic domain, we conclude that the Early Cretaceous magmatism in the Tengchong terrane was produced by the northeastward subduction of the Meso-Tethyan Bangong–Nujiang Ocean.

The structure of the muscle protein complex 4Ca2+ ·troponin C · troponin

International Nuclear Information System (INIS)

Olah, G.A.; Trewhella, J.

1994-01-01

Analysis of scattering data based on a Monte Carlo integration method was used to 2+ obtain a low resolution model of the 4Ca 2+ circ troponin C circ troponin I complex. This modeling method allows rapid testing of plausible structures where the best fit model can be ascertained by a comparison between model structure scattering profiles and measured scattering data. In the best fit model, troponin I appears as a spiral structure 2+ that wraps around 4Ca 2+ circ troponin C which adopts an extended dumbbell conformation similar to that observed in the crystal structures of troponin C. The Monte Carlo modeling method can be applied to other biological systems in which detailed structural information is lacking

An oxide filled extended trench gate super junction MOSFET structure

International Nuclear Information System (INIS)

Cai-Lin, Wang; Jun, Sun

2009-01-01

This paper proposes an oxide filled extended trench gate super junction (SJ) MOSFET structure to meet the need of higher frequency power switches application. Compared with the conventional trench gate SJ MOSFET, new structure has the smaller input and output capacitances, and the remarkable improvements in the breakdown voltage, on-resistance and switching speed. Furthermore, the SJ in the new structure can be realized by the existing trench etching and shallow angle implantation, which offers more freedom to SJ MOSFET device design and fabrication. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Complex band structure and electronic transmission eigenchannels

DEFF Research Database (Denmark)

Jensen, Anders; Strange, Mikkel; Smidstrup, Soren

2017-01-01

and complex band structure, in this case individual eigenchannel transmissions and different complex bands. We present calculations of decay constants for the two most conductive states as determined by complex band structure and standard DFT Landauer transport calculations for one semi-conductor and two...

The value of extended pedigrees for next-generation analysis of complex disease in the rhesus macaque.

Science.gov (United States)

Vinson, Amanda; Prongay, Kamm; Ferguson, Betsy

2013-01-01

Complex diseases (e.g., cardiovascular disease and type 2 diabetes, among many others) pose the biggest threat to human health worldwide and are among the most challenging to investigate. Susceptibility to complex disease may be caused by multiple genetic variants (GVs) and their interaction, by environmental factors, and by interaction between GVs and environment, and large study cohorts with substantial analytical power are typically required to elucidate these individual contributions. Here, we discuss the advantages of both power and feasibility afforded by the use of extended pedigrees of rhesus macaques (Macaca mulatta) for genetic studies of complex human disease based on next-generation sequence data. We present these advantages in the context of previous research conducted in rhesus macaques for several representative complex diseases. We also describe a single, multigeneration pedigree of Indian-origin rhesus macaques and a sample biobank we have developed for genetic analysis of complex disease, including power of this pedigree to detect causal GVs using either genetic linkage or association methods in a variance decomposition approach. Finally, we summarize findings of significant heritability for a number of quantitative traits that demonstrate that genetic contributions to risk factors for complex disease can be detected and measured in this pedigree. We conclude that the development and application of an extended pedigree to analysis of complex disease traits in the rhesus macaque have shown promising early success and that genome-wide genetic and higher order -omics studies in this pedigree are likely to yield useful insights into the architecture of complex human disease.

Complexity of Curved Glass Structures

Science.gov (United States)

Kosić, T.; Svetel, I.; Cekić, Z.

2017-11-01

Despite the increasing number of research on the architectural structures of curvilinear forms and technological and practical improvement of the glass production observed over recent years, there is still a lack of comprehensive codes and standards, recommendations and experience data linked to real-life curved glass structures applications regarding design, manufacture, use, performance and economy. However, more and more complex buildings and structures with the large areas of glass envelope geometrically complex shape are built every year. The aim of the presented research is to collect data on the existing design philosophy on curved glass structure cases. The investigation includes a survey about how architects and engineers deal with different design aspects of curved glass structures with a special focus on the design and construction process, glass types and structural and fixing systems. The current paper gives a brief overview of the survey findings.

Holographic entanglement entropy and the extended phase structure of STU black holes

International Nuclear Information System (INIS)

Caceres, Elena; Nguyen, Phuc H.; Pedraza, Juan F.

2015-01-01

We study the extended thermodynamics, obtained by considering the cosmological constant as a thermodynamic variable, of STU black holes in 4-dimensions in the fixed charge ensemble. The associated phase structure is conjectured to be dual to an RG-flow on the space of field theories. We find that for some charge configurations the phase structure resembles that of a Van der Waals gas: the system exhibits a family of first order phase transitions ending in a second order phase transition at a critical temperature. We calculate the holographic entanglement entropy for several charge configurations and show that for the cases where the gravity background exhibits Van der Waals behavior, the entanglement entropy presents a transition at the same critical temperature. To further characterize the phase transition we calculate appropriate critical exponents and show that they coincide. Thus, the entanglement entropy successfully captures the information of the extended phase structure. Finally, we discuss the physical interpretation of the extended space in terms of the boundary QFT and construct various holographic heat engines dual to STU black holes.

Mantle accretion evidence during the neoproterozoic of the Pernambuco-Alagoas terrane, and its significance to the evolution of the Borborema Province, NE Brazil

International Nuclear Information System (INIS)

Silva Filho, A.F.; Guimaraes, I.P; Van Schmus, W.R

2001-01-01

The Borborema Province is located in NE Brazil, corresponding to the western part of a major fold belt, which extends from Brazil to West Africa. According to paleogeographic reconstruction, it is located between the Congo, Sao Francisco and West Africa cratons. The Pernambuco-Alagoas Terrane is a major tectonic unit of the Borborema Province and comprises high-grade metamorphic sequences and the greatest granitic batholiths of this province. The granitic batholiths Maribondo-Correntes, Buique-Paulo Afonso and Aguas Belas-Caninde and their ortho derived country rocks show metaluminous and peraluminous compositions, and εNd(0,60 Ga) between +3,2 and -2,0 and T DM between 0,90 Ga and 1,20 Ga. These Nd isotope data favour a crustal evolution hypothesis involving accretion of juvenile material at least during the Brasiliano orogenesis collision and perhaps the formation of a juvenile lithosphere during the end of the Mesoproterozoic (au)

Accretionary history of the Altai-Mongolian terrane: perspectives from granitic zircon U-Pb and Hf-isotope data

Science.gov (United States)

Cai, Keda; Sun, Min; Xiao, Wenjiao

2014-05-01

The Central Asian Orogenic Belt (CAOB) consists of many tectonic terranes with distinct origin and complicated evolutionary history. Understanding of individual block is crucial to reconstruct the geodynamic history of the gigantic accetionary collage. This study presents zircon U-Pb ages and Hf isotopes for the granitoid rocks in the Russian Altai mountain range (including Gorny Altai, Altai-Mongolian terrane and CTUS suture zone between them), in order to clarify the timing of granitic magmatism, source nature, continental crustal growth and tectonic evolution. Our dating results suggest that granitic magmatism of the Russian Altai mountain range occurred in three major episodes including 445~429 Ma, 410~360 Ma and ~241 Ma. Most of the zircons within the Paleozoic granitoids present comparable positive ɛHf(t) values and Neoproterozoic crustal model ages, which favor the interpretation that the juvenile crustal materials produced in the early stage of CAOB were probably dominant sources for the Paleozoic magmatism in the region. The inference is also supported by widespread occurrence of short-lived juvenile materials including ophiolites, seamount relics and arc assemblages in the north CAOB. Consequently, the Paleozoic massive granitic rocks maybe not represent continental crustal growth at the time when they were emplaced, but rather record reworking of relatively juvenile Proterozoic crustal rocks although mantle-derived mafic magma was possibly involved to sever as heat engine during granitic magma generation. The Early Triassic granitic intrusion may be product in an intra-plate environment, as the case of same type rocks in the adjacent areas. The positive ɛHf(t) values (1.81~7.47) and corresponding Hf model ages (0.80~1.16 Ga) together with evidence of petrology are consistent with the interpretation that the parental magma of the Triassic granitic intrusion was produced from enriched mantle-derived sources under an usually high temperature condition

Disorder structure of free-flow and global jams in the extended BML model

International Nuclear Information System (INIS)

Zhao Xiaomei; Xie Dongfan; Jia Bin; Jiang Rui; Gao Ziyou

2011-01-01

The original BML model is extended by introducing extended sites, which can hold several vehicles at each time-step. Unexpectedly, the flow in the extended model sharply transits from free-flow to global jams, but the transition is not one-order in original BML model. And congestion in the extended model appears more easily. This can ascribe to the mixture of vehicles from different directions in one site, leading to the drop-off of the capacity of the site. Furthermore, the typical configuration of free flowing and global jams in the extended models is disorder, different from the regular structure in the original model.

Simple surface structure determination from Fourier transforms of angle-resolved photoemission extended fine structure

Energy Technology Data Exchange (ETDEWEB)

Zheng, Y. [Pennsylvania State Univ., University Park, PA (United States)]|[Lawrence Berkeley Lab., CA (United States); Shirley, D.A. [Pennsylvania State Univ., University Park, PA (United States)

1995-02-01

The authors show by Fourier analyses of experimental data, with no further treatment, that the positions of all the strong peaks in Fourier transforms of angle-resolved photoemission extended fine structure (ARPEFS) from adsorbed surfaces can be explicitly predicted from a trial structure with an accuracy of about {+-} 0.3 {angstrom} based on a single-scattering cluster model together with the concept of a strong backscattering cone, and without any additional analysis. This characteristic of ARPEFS Fourier transforms can be developed as a simple method for determining the structures of adsorbed surfaces to an accuracy of about {+-} 0.1 {angstrom}.

Nitrosonium complexes of organic compounds. Structure and reactivity

International Nuclear Information System (INIS)

Borodkin, Gennady I; Shubin, Vyacheslav G

2001-01-01

Data on the structures and reactivities of nitrosonium complexes of organic compounds are systematised and generalised. The characteristic features of the electronic structure of the NO + cation are responsible for a wide structural variety of nitrosonium complexes. Reactions of nitrosonium complexes are described. The bibliography includes 172 references.

On-line structural response analysis: using the extended Kalman estimator/identifier

International Nuclear Information System (INIS)

Candy, J.V.

1979-01-01

This report disucsses the development of on-line state and parameter estimators used to analyze the structural response of buildings. The estimator/identifier is an extended Kalman filter (EKF), which has been applied with great success in other technological areas. It is shown that the EKF can perform quite well on simulated noisy structural response data

Optical Properties of Complex Plasmonic Materials Studied with Extended Effective Medium Theories Combined with Rigorous Coupled Wave Analysis

Directory of Open Access Journals (Sweden)

Elie Nadal

2018-02-01

Full Text Available In this study we fabricate gold nanocomposites and model their optical properties. The nanocomposites are either homogeneous films or gratings containing gold nanoparticles embedded in a polymer matrix. The samples are fabricated using a recently developed technique making use of laser interferometry. The gratings present original plasmon-enhanced diffraction properties. In this work, we develop a new approach to model the optical properties of our composites. We combine the extended Maxwell–Garnett model of effective media with the Rigorous Coupled Wave Analysis (RCWA method and compute both the absorption spectra and the diffraction efficiency spectra of the gratings. We show that such a semi-analytical approach allows us to reproduce the original plasmonic features of the composites and can provide us with details about their inner structure. Such an approach, considering reasonably high particle concentrations, could be a simple and efficient tool to study complex micro-structured system based on plasmonic components, such as metamaterials.

Extending Modal Transition Systems with Structured Labels

DEFF Research Database (Denmark)

Bauer, Sebastian S.; Juhl, Line; Larsen, Kim Guldstrand

2012-01-01

We introduce a novel formalism of label-structured modal transition systems that combines the classical may/must modalities on transitions with structured labels that represent quantitative aspects of the model. On the one hand, the specification formalism is general enough to include models like...... weighted modal transition systems and allows the system developers to employ more complex label refinement than in the previously studied theories. On the other hand, the formalism maintains the desirable properties required by any specification theory supporting compositional reasoning. In particular, we...

Risk Assessment of Structural Integrity of Transportation Casks after Extended Storage

Energy Technology Data Exchange (ETDEWEB)

Ibarra, Luis; Medina, Ricardo; Yang, Haori

2018-03-23

This study assessed the risk of loss of structural integrity of transportation casks and fuel cladding after extended storage. Although it is known that fuel rods discharged from NPPs have a small percentage of rod cladding defects, the behavior of fuel cladding and the structural elements of assemblies during transportation after long-term storage is not well understood. If the fuel degrades during extended storage, it could be susceptible to damage from vibration and impact loads during transport operations, releasing fission-product gases into the canister or the cask interior (NWTRB 2010). Degradation of cladding may occur due to mechanisms associated with hydrogen embrittlement, delayed hydride cracking, low temperature creep, and stress corrosion cracking (SCC) that may affect fuel cladding and canister components after extended storage of hundreds of years. Over extended periods at low temperatures, these mechanisms affect the ductility, strength, and fracture toughness of the fuel cladding, which becomes brittle. For transportation purposes, the fuel may be transferred from storage to shipping casks, or dual-purpose casks may be used for storage and transportation. Currently, most of the transportation casks will be the former case. A risk assessment evaluation is conducted based on results from experimental tests and simulations with advanced numerical models. A novel contribution of this study is the evaluation of the combined effect of component aging and vibration/impact loads in transportation scenarios. The expected levels of deterioration will be obtained from previous and current studies on the effect of aging on fuel and cask components. The emphasis of the study is placed on the structural integrity of fuel cladding and canisters.

On implementation of the extended interior penalty function. [optimum structural design

Science.gov (United States)

Cassis, J. H.; Schmit, L. A., Jr.

1976-01-01

The extended interior penalty function formulation is implemented. A rational method for determining the transition between the interior and extended parts is set forth. The formulation includes a straightforward method for avoiding design points with some negative components, which are physically meaningless in structural analysis. The technique, when extended to problems involving parametric constraints, can facilitate closed form integration of the penalty terms over the most important parts of the parameter interval. The method lends itself well to the use of approximation concepts, such as design variable linking, constraint deletion and Taylor series expansions of response quantities in terms of design variables. Examples demonstrating the algorithm, in the context of planar orthogonal frames subjected to ground motion, are included.

Structural and Electronic Investigations of Complex Intermetallic Compounds

Energy Technology Data Exchange (ETDEWEB)

Ko, Hyunjin [Iowa State Univ., Ames, IA (United States)

2008-01-01

structures of these and related materials. Such calculations allow us to examine various interactions at the atomic scale, interactions which include orbital overlap, two-electron interactions, and Madelung terms. Moreover, these electronic studies also provide links between the angstrom-scale atomic interactions and the macro-scale physical properties, such as magnetism. Over the past few decades, there have been many significant developments toward understanding structure-bonding-property relationships in extended solids in terms of variables including atomic size, valence electron concentration, and electronegativity. However, many simple approaches based on electron counting, e.g., the octet rule, the 18-electron rule, or Wade's rules for boranes, cannot be applied adequately or universally to many of the more complex intermetallic compounds. For intermetallic phases that include late transition metals and post transition main group elements as their constituents, one classification scheme has been developed and effectively applied by using their valence electron count per atom (vec). These compounds are known as Hume-Rothery electron phases, and they have a variety of structure types with vec < 2.0 as shown in Table 1.

Geochronology and geochemistry of the Early Jurassic Yeba Formation volcanic rocks in southern Tibet: Initiation of back-arc rifting and crustal accretion in the southern Lhasa Terrane

Science.gov (United States)

Wei, Youqing; Zhao, Zhidan; Niu, Yaoling; Zhu, Di-Cheng; Liu, Dong; Wang, Qing; Hou, Zengqian; Mo, Xuanxue; Wei, Jiuchuan

2017-05-01

Understanding the geological history of the Lhasa Terrane prior to the India-Asia collision ( 55 ± 10 Ma) is essential for improved models of syn-collisional and post-collisional processes in the southern Lhasa Terrane. The Miocene ( 18-10 Ma) adakitic magmatism with economically significant porphyry-type mineralization has been interpreted as resulting from partial melting of the Jurassic juvenile crust, but how this juvenile crust was accreted remains poorly known. For this reason, we carried out a detailed study on the volcanic rocks of the Yeba Formation (YF) with the results offering insights into the ways in which the juvenile crust may be accreted in the southern Lhasa Terrane in the Jurassic. The YF volcanic rocks are compositionally bimodal, comprising basalt/basaltic andesite and dacite/rhyolite dated at 183-174 Ma. All these rocks have an arc-like signature with enriched large ion lithophile elements (LILEs; e.g., Rb, Ba and U) and light rare earth elements (LREEs) and depleted high field strength elements (HFSEs; e.g., Nb, Ta, Ti). They also have depleted whole-rock Sr-Nd and zircon Hf isotopic compositions, pointing to significant mantle isotopic contributions. Modeling results of trace elements and isotopes are most consistent with the basalts being derived from a mantle source metasomatized by varying enrichment of subduction components. The silicic volcanic rocks show the characteristics of transitional I-S type granites, and are best interpreted as resulting from re-melting of a mixed source of juvenile amphibole-rich lower crust with reworked crustal materials resembling metagraywackes. Importantly, our results indicate northward Neo-Tethyan seafloor subduction beneath the Lhasa Terrane with the YF volcanism being caused by the initiation of back-arc rifting. The back-arc setting is a likely site for juvenile crustal accretion in the southern Lhasa Terrane.

Mesozoic to Cenozoic magmatic history of the Pamir

Science.gov (United States)

Chapman, James B.; Scoggin, Shane H.; Kapp, Paul; Carrapa, Barbara; Ducea, Mihai N.; Worthington, James; Oimahmadov, Ilhomjon; Gadoev, Mustafo

2018-01-01

0.710 87Sr/86Sr(i), -3 to +1 zircon εHf(i), 6.0 to 7.6‰ zircon δ18OVSMOW), which reflects some juvenile mantle input and subsequent assimilation or mixing with the Central/South Pamir terrane lower crust. The Vanj complex is speculatively interpreted to be the consequence of a mantle drip or small delamination event that was induced by India-Asia collision. The age, geochemistry, outcrop pattern, and tectonic position of the Vanj magmatic complex suggest that it is part of a series of magmatic complexes that extend for >2500 km across the Pamir and northern Qiangtang terrane in Tibet. All of these complexes are located directly south of the Tanymas-Jinsha suture zone, an important lithospheric and rheological boundary that focused mantle lithosphere deformation after India-Asia collision. Miocene magmatism (20-10 Ma) in the Pamir includes: 1) isotopically evolved migmatite and leucogranite related to crustal anataxis and decompression melting within extensional gneiss domes, and; 2) localized intra-continental magmatism in the Dunkeldik/Taxkorgan complex.

Template Syntheses, Crystal Structures and Supramolecular Assembly of Hexaaza Macrocyclic Copper(II) Complexes

International Nuclear Information System (INIS)

Kim, Taehyung; Kim, Ju Chang; Lough, Alan J.

2013-01-01

Two new hexaaza macrocyclic copper(II) complexes were prepared by a template method and structurally characterized. In the solid state, they were self-assembled by intermolecular interactions to form the corresponding supramolecules 1 and 2, respectively. In the structure of 1, the copper(II) macrocycles are bridged by a tp ligand to form a macrocyclic copper(II) dimer. The dimer extends its structure by intermolecular forces such as hydrogen bonds and C-H···π interactions, resulting in the formation of a double stranded 1D supramolecule. In 2, the basic structure is a monomeric copper(II) macrocycle with deprotonated imidazole pendants. An undulated 1D hydrogen bonded array is achieved through hydrogen bonds between imidazole pendants and secondary amines, where the imidazole pendants act as a hydrogen bond acceptor. The 1D hydrogen bonded supramolecular chain is supported by C-H···π interactions between the methyl groups of acetonitrile ligands and imidazole pendants of the copper(II) macrocycles. In both complexes, the introduction of imidazoles to the macrocycle as a pendant plays an important role for the formation of supramolecules, where they act as intermolecular hydrogen bond donors and/or acceptors, C-H···π and π-π interactions

Extending Life Concepts to Complex Systems

Directory of Open Access Journals (Sweden)

Jean Le Fur

2013-01-01

Full Text Available There is still no consensus definition of complex systems. This article explores, as a heuristic approach, the possibility of using notions associated with life as transversal concepts for defining complex systems. This approach is developed within a general classification of systems, with complex systems considered as a general ‘living things’ category and living organisms as a specialised class within this category. Concepts associated with life are first explored in the context of complex systems: birth, death and lifetime, adaptation, ontogeny and growth, reproduction. Thereafter, a refutation approach is used to test the proposed classification against a set of diverse systems, including a reference case, edge cases and immaterial complex systems. The summary of this analysis is then used to generate a definition of complex systems, based on the proposal, and within the background of cybernetics, complex adaptive systems and biology. Using notions such as ‘birth’ or ‘lifespan’ as transversal concepts may be of heuristic value for the generic characterization of complex systems, opening up new lines of research for improving their definition.

Synthesis and structure of cerium nitrosocarbonylcyanmethanid complex

International Nuclear Information System (INIS)

Gerasimenko, H.; Scopenko, V.V.; Kapshuk, A.A.

1998-01-01

Full text: The complex compound [CeL 4 Dy 2 ]Na*2Ac (where L- nitrosocarbonylcyanmethanid, Dy -- dipyridile, Ac - acetone) were synthesised by interaction of cerium chloride and sodium nitrosocarbonylcyanmethanid from acetone solution. After two hours of mixing the dipyridil solution in acetone was added for complex stabilization. After filtration solution was put to desiccator for crystallisation. The complex was studied using IR- and UV-spectroscopy. The structure of the complex was determined using X-ray structure analysis. It was found that the structure of the complex belongs to orthorhombic Pna2(1) syngony with the unit cell parameters 17.010, 16.280 and 16.340Angstroms, respectively. It was found that cerium in the compound was eight co-ordinated. Four nitroso ligands were co-ordinated by bidentate bridge method and two dipyridiles by bidentate-cycle method

Psychometric validation of the Italian Rehabilitation Complexity Scale-Extended version 13

Science.gov (United States)

Agosti, Maurizio; Merlo, Andrea; Maini, Maurizio; Lombardi, Francesco; Tedeschi, Claudio; Benedetti, Maria Grazia; Basaglia, Nino; Contini, Mara; Nicolotti, Domenico; Brianti, Rodolfo

2017-01-01

In Italy, at present, a well-known problem is inhomogeneous provision of rehabilitative services, as stressed by MoH, requiring appropriate criteria and parameters to plan rehabilitation actions. According to the Italian National Rehabilitation Plan, Comorbidity, Disability and Clinical Complexity should be assessed to define the patient’s real needs. However, to date, clinical complexity is still difficult to measure with shared and validated tools. The study aims to psychometrically validate the Italian Rehabilitation Complexity Scale-Extended v13 (RCS-E v13), in order to meet the guidelines requirements. An observational multicentre prospective cohort study, involving 8 intensive rehabilitation facilities of the Emilia-Romagna Region and 1712 in-patients, [823 male (48%) and 889 female (52%), mean age 68.34 years (95% CI 67.69–69.00 years)] showing neurological, orthopaedic and cardiological problems, was carried out. The construct and concurrent validity of the RCS-E v13 was confirmed through its correlation to Barthel Index (disability) and Cumulative Illness Rating Scale (comorbidity) and appropriate admission criteria (not yet published), respectively. Furthermore, the factor analysis indicated two different components (“Basic Care or Risk—Equipment” and “Medical—Nursing Needs and Therapy Disciplines”) of the RCS-E v13. In conclusion, the Italian RCS-E v13 appears to be a useful tool to assess clinical complexity in the Italian rehab scenario case-mix and its psychometric validation may have an important clinical rehabilitation impact allowing the assessment of the rehabilitation needs considering all three dimensions (disability, comorbidity and clinical complexity) as required by the Guidelines and the inhomogeneity could be reduced. PMID:29045409

Geology of the Severnaya Zemlya Archipelago and the North Kara Terrane in the Russian high Arctic

Science.gov (United States)

Lorenz, Henning; Männik, Peep; Gee, David; Proskurnin, Vasilij

2008-05-01

The Severnaya Zemlya Archipelago is located at 80°N near the continental shelf break, between the Kara and Laptev seas. Sedimentary successions of Neoproterozoic and Palaeozoic age dominate the bedrock geology. Together with Northern Tajmyr, Severnaya Zemlya constitutes the main land areas of the North Kara Terrane (NKT), which is inferred here to have been a part of the Timanide margin of Baltica, i.e. an integral part of Baltica at least since the Vendian. Vendian turbidites derived from the Timanide Orogen are inferred to have been deposited on Neoproterozoic greenschist facies, granite-intruded basement. Shallow-water siliclastic deposition in the Early to Mid-Cambrian was followed by highly organic-rich shales in the Late Cambrian and influx of more turbidites. An episode of folding, the Kan’on River deformation, separates these formations from the overlying Tremadocian conglomerates and sandstones. In the Early Ordovician, rift-related magmatic rocks accompanied the deposition of variegated marls, sandstones, carbonates and evaporites. Dark shales and gypsiferous limestones characterise the Mid-Ordovician. Late Ordovician quartz-sandstones mark a hiatus, followed by carbonate rocks that extend up into and through most of the Silurian. The latter give way upwards into Old Red Sandstones, which are inferred to have been deposited in a Caledonian foreland basin. Deformation, reaching the area in the latest Devonian or earliest Carboniferous and referred to as the Severnaya Zemlya episode, is thought to be Caledonian-related. The dominating E-vergent structure was controlled by décollement zones in Ordovician evaporite-bearing strata; detachment folds and thrusts developed in the west and were apparently impeded by a barrier of Ordovician igneous rocks in the east. Below the décollement zones, the Neoproterozoic to Early Ordovician succession was deformed into open to close folds. The exposed strata in the lower structural level have been juxtaposed with

Paleomagnetism of Early Paleozoic Rocks from the de Long Archipelago and Tectonics of the New Siberian Islands Terrane

Science.gov (United States)

Metelkin, D. V.; Chernova, A. I.; Matushkin, N. Y.; Vernikovskiy, V. A.

2017-12-01

The De Long archipelago is located to the north of the Anjou archipelago as a part of a large group between the Laptev Sea and the East Siberian Sea - the New Siberian Islands and consists of Jeannette Island, Bennett Island and Henrietta Island. These islands have been shown to be part of a single continental terrane, whose tectonic history was independent of other continental masses at least since the Ordovician. Paleomagnetic and precise geological data for the De Long archipelago were absent until recently. Only in 2013 special international field trips to the De Long Islands could be organized and geological, isotope-geochronological and paleomagnetic studies were carried out.On Jeannette Island a volcanic-sedimentary sequence intruded by mafic dikes was described. The age of these dikes is more likely Early Ordovician, close to 480 Ma, as evidenced by the results of our 40Ar/39Ar and paleomagnetic investigations of the dolerites as well as the result from detrital zircons in the host rocks published before. On Bennett Island, there are widespread Cambrian-Ordovician mainly terrigenous rocks. Paleomagnetic results from these rocks characterize the paleogeographic position of the De Long archipelago at 465 Ma and perhaps at 530 Ma, although there is no evidence for the primary origin of magnetization for the latter. On Henrietta Island the Early Cambrian volcanic-sedimentary section was investigated. A paleomagnetic pole for 520 Ma was obtained and confirmed by new 40Ar/39Ar results. Adding to our previous paleomagnetic data for the Anjou archipelago the extended variant of the apparent polar wander path for the New Siberian Island terrane was created. The established paleolatitudes define its location in the equatorial and subtropical zone no higher than 40 degrees during the Early Paleozoic. Because there are no good confirmations for true polarity and related geographic hemisphere we present two possibilities for tectonic reconstruction. But both these

Petrogenesis, U-Pb and Sm-Nd geochronology of the Furna Azul Migmatite: partial melting evidence during the San Ignacio Orogeny, Paragua Terrane, SW Amazon Craton

Energy Technology Data Exchange (ETDEWEB)

Nascimento, Newton Diego Couto do; Ruiz, Amarildo Salina; Pierosan, Ronaldo; Lima, Gabrielle Aparecida de; Matos, Joao Batista; Lafon, Jean-Michel; Moura, Candido Augusto Veloso, E-mail: newtongeologia@hotmail.com, E-mail: asruiz@gmail.com, E-mail: ronaldo.pierosan@yahoo.com.br, E-mail: gabilimagel@gmail.com, E-mail: lafonjm@ufpa.br, E-mail: prof.jmatos@gmail.com, E-mail: candido@ufpa.br [Universidade Federal do Para (GEOCIAM/UFPA), Belem, PA (Brazil). Instituto Nacional de Ciencia e Tecnologia de Geociencias da Amazonia

2016-11-01

The Furna Azul Migmatite is a ∼10 km{sup 2} complex located in Pontes e Lacerda city, Mato Grosso, Brazil. It belongs to Paragua Terrane, limit with Rio Alegre Terrane, southeast of San Ignacio Province, in Amazon Craton. It consists of transitional metatexites with amphibolite enclaves and dioritic injections. The rocks were divided in residuum rich and leucosome rich; both have three deformation phases marked by folded stromatic layers affected by spaced foliation and metamorphosed in amphibolite facies, represented by garnet, biotite, sillimanite, and by the clinopyroxene in the enclaves. The metamorphic retrograde to greenschist is marked by formation of chlorite, muscovite and prehnite. Residuum-rich metatexites show higher CaO and Na{sub 2}O contents, separating them from K{sub 2}O, Ba and Rb enriched transitional metatexites. U-Pb on zircon and Sm-Nd whole-rocks dating indicates that the residuum-rich metatexite crystallized at 1436 ± 11 Ma, with a T{sub DM} age of 1.90 Ga and ε{sub Nd(1.43)} of -0.54, whereas the dioritic injection crystallized at 1341,7 ± 17 Ma with a T{sub DM} age of 1.47 Ga and ε{sub Nd(1.34)} of 3.39. These results indicate that the Furna Azul Migmatite protolith was formed during the San Ignacio Orogeny and was reworked during the same orogeny, as basement for collisional to post-magmatic granites from Pensamiento Intrusive Suite. (author)

Supramolecular structure of glibenclamide and β-cyclodextrins complexes.

Science.gov (United States)

Lucio, David; Irache, Juan Manuel; Font, María; Martínez-Ohárriz, María Cristina

2017-09-15

Glibenclamide is an antidiabetic drug showing low bioavailability as consequence of its low solubility. To solve this drawback, the interaction with cyclodextrins has been proposed. The formation of GB-βCDs inclusion complexes was carried out using different methods, βCD derivatives and drug-to-cyclodextrin ratios. The structures of the corresponding complexes have been studied by molecular modelling, X-ray diffraction and differential thermal analysis. The dissolution behavior of inclusion complexes has been compared to that of pure GB. Dimeric inclusion complexes were obtained with different CD disposals, head-to-head for βCD and head-to-tail for HPβCD and RMβCD. Amorphous inclusion complexes were obtained by employing methods of freeze-drying or coevaporation in ammonia-water. However, crystalline structures were formed by kneading and coevaporation in ethanol/water in the case of GB-βCD complexes. The arrangement of these structures depended on the GB:βCD ratio, yielding cage type structures for 1:3 and 1:5 ratios and channel-type structures for higher GB contents. The amount of GB released and its dissolution rate was considerably increased by the use of amorphous inclusion complexes; whereas, slower GB release rates were found from crystalline inclusion complexes formed by kneading or coevaporation in ethanol/water. In addition, it was found that the porous structure strongly conditioned the GB dissolution rate from crystalline products. Copyright © 2017 Elsevier B.V. All rights reserved.

Modern structure of marketing communications complex

Directory of Open Access Journals (Sweden)

Hrebenyukova Elena

2015-08-01

Full Text Available The article presents the results of the desk research, in which the current structure of the marketing communications complex was analyzed. According to the results of the content analysis of scientific and educational literature in marketing it was proved that there is a certain structural asymmetry in today's complex of marketing communication: the rejection of impersonal tools and actualization of those which make possible personalized communication with the consumer.

Complex structures in the Nash-Moser category

DEFF Research Database (Denmark)

Gravesen, Jens

1989-01-01

Working in the Nash-Moser category, it is shown that the harmonic and holomorphic differentials and the Weierstrass points on a closed Riemann surface depend smoothly on the complex structure. It is also shown that the space of complex structures on any compact surface forms a principal bundle over...

Complex photonic structures

International Nuclear Information System (INIS)

Wiersma, D.S.

2013-01-01

We discuss in detail the optical properties of complex photonic structures, in particular those with a dominating disorder component. We will focus on their general transport properties, as well as on their use as light sources (random lasers). The basis for the theory of multiple light scattering in random systems will be explained as a tutorial introduction to the topic, including the explicit calculation of the effect of coherent backscattering. We will discuss various structures that go beyond regular disordered ones, in particular Levy glasses, liquid crystals, and quasicrystals, and show examples of their optical properties both from a conceptual and practical point of view.

Solar proton exposure of an ICRU sphere within a complex structure Part I: Combinatorial geometry.

Science.gov (United States)

Wilson, John W; Slaba, Tony C; Badavi, Francis F; Reddell, Brandon D; Bahadori, Amir A

2016-06-01

The 3DHZETRN code, with improved neutron and light ion (Z≤2) transport procedures, was recently developed and compared to Monte Carlo (MC) simulations using simplified spherical geometries. It was shown that 3DHZETRN agrees with the MC codes to the extent they agree with each other. In the present report, the 3DHZETRN code is extended to enable analysis in general combinatorial geometry. A more complex shielding structure with internal parts surrounding a tissue sphere is considered and compared against MC simulations. It is shown that even in the more complex geometry, 3DHZETRN agrees well with the MC codes and maintains a high degree of computational efficiency. Published by Elsevier Ltd.

Structural and Topology Optimization of Complex Civil Engineering Structures

DEFF Research Database (Denmark)

Hald, Frederik; Kirkegaard, Poul Henning; Andersen, Lars Vabbersgaard

2013-01-01

This paper shows the use of topology optimization for finding an optimized form for civil engineering structures. Today topology optimization and shape optimization have been integrated in several commercial finite element codes. Here, the topology of two complex civil engineering structures...

The approximate entropy concept extended to three dimensions for calibrated, single parameter structural complexity interrogation of volumetric images.

Science.gov (United States)

Moore, Christopher; Marchant, Thomas

2017-07-12

Reconstructive volumetric imaging permeates medical practice because of its apparently clear depiction of anatomy. However, the tell tale signs of abnormality and its delineation for treatment demand experts work at the threshold of visibility for hints of structure. Hitherto, a suitable assistive metric that chimes with clinical experience has been absent. This paper develops the complexity measure approximate entropy (ApEn) from its 1D physiological origin into a three-dimensional (3D) algorithm to fill this gap. The first 3D algorithm for this is presented in detail. Validation results for known test arrays are followed by a comparison of fan-beam and cone-beam x-ray computed tomography image volumes used in image guided radiotherapy for cancer. Results show the structural detail down to individual voxel level, the strength of which is calibrated by the ApEn process itself. The potential for application in machine assisted manual interaction and automated image processing and interrogation, including radiomics associated with predictive outcome modeling, is discussed.

The approximate entropy concept extended to three dimensions for calibrated, single parameter structural complexity interrogation of volumetric images

Science.gov (United States)

Moore, Christopher; Marchant, Thomas

2017-08-01

Reconstructive volumetric imaging permeates medical practice because of its apparently clear depiction of anatomy. However, the tell tale signs of abnormality and its delineation for treatment demand experts work at the threshold of visibility for hints of structure. Hitherto, a suitable assistive metric that chimes with clinical experience has been absent. This paper develops the complexity measure approximate entropy (ApEn) from its 1D physiological origin into a three-dimensional (3D) algorithm to fill this gap. The first 3D algorithm for this is presented in detail. Validation results for known test arrays are followed by a comparison of fan-beam and cone-beam x-ray computed tomography image volumes used in image guided radiotherapy for cancer. Results show the structural detail down to individual voxel level, the strength of which is calibrated by the ApEn process itself. The potential for application in machine assisted manual interaction and automated image processing and interrogation, including radiomics associated with predictive outcome modeling, is discussed.

Understanding Structures and Affordances of Extended Teams in Global Software Development

DEFF Research Database (Denmark)

Ali Babar, Muhammad; Zahedi, Mansooreh

2013-01-01

Growing popularity of Global Software Development (GSD) has resulted in an increasing number of cross-organizational teams that are formed according to Extended Team Model (ETM). There is little known about the structures (work, social, and communication) that may exist in ETM and what affordances...... in the studied team help deal with different GSD challenges, these structures appear to have certain challenges inherent in them and the affordances they provide. We make a few recommendations for improving the current structures to deal with the observed challenges. Our findings are expected to provide insights...

A new Kaempferol-based Ru(II) coordination complex, Ru(kaem)Cl(DMSO)3: Structure and absorption-emission spectroscopy study

International Nuclear Information System (INIS)

Shao, Ming Wei; Gang, Jong Back; Kim, Sang Ho; Yoon, Min Young

2016-01-01

Recent interest in developing a new anticancer drug with low side effects has led to the study of the combination of two new anticancer drugs. Although both kaempferol (kaem) and Ru-based metal complexes have not been proven as effective drugs, their unique anticancer activities with reduced side effects have drawn our attention to the need for further studies on their potential in anticancer application. Herein, we report the synthesis, characterization, structure, and spectroscopic properties of a kaem-based Ru (II) complex, RuCl(kaem)(DMSO) 3 (1). Because of the presence of a catechol-like functional group in its dihydropyran ring, kaem can strongly bind to the Ru(II) metal center in a basic medium. The molecular structure of the complex was characterized by spectroscopic studies and X-ray crystal structure analysis. In addition, the complex forms a molecular dimer as a result of the cooperative effect of H-bonding and π–π stacking interactions. Moreover, the molecular dimer forms a ladder-like one-dimensional network structure by water mediated H-bonding that further extended into a three-dimensional packing structure. UV–Vis spectroscopy studies of the complex demonstrated the appearance of a strong metal to ligand charge transfer (MLCT) band in the visible region with strong fluorescence emission derived from the MLCT. Further studies are now in progress to demonstrate synergetic anticancer activity

Preferential rifting of continents - A source of displaced terranes

Science.gov (United States)

Vink, G. E.; Morgan, W. J.; Zhao, W.-L.

1984-01-01

Lithospheric rifting, while prevalent in the continents, rarely occurs in oceanic regions. To explain this preferential rifting of continents, the total strength of different lithospheres is compared by integrating the limits of lithospheric stress with depth. Comparisons of total strength indicate that continental lithosphere is weaker than oceanic lithosphere by about a factor of three. Also, a thickened crust can halve the total strength of normal continental lithosphere. Because the weakest area acts as a stress guide, any rifting close to an ocean-continent boundary would prefer a continental pathway. This results in the formation of small continental fragments or microplates that, once accreted back to a continent during subduction, are seen as displaced terranes. In addition, the large crustal thicknesses associated with suture zones would make such areas likely locations for future rifting episodes. This results in the tendency of new oceans to open along the suture where a former ocean had closed.

Fast Extended Depth-of-Field Reconstruction for Complex Holograms Using Block Partitioned Entropy Minimization

Directory of Open Access Journals (Sweden)

Peter Wai Ming Tsang

2018-05-01

Full Text Available Optical scanning holography (OSH is a powerful and effective method for capturing the complex hologram of a three-dimensional (3-D scene. Such captured complex hologram is called optical scanned hologram. However, reconstructing a focused image from an optical scanned hologram is a difficult issue, as OSH technique can be applied to acquire holograms of wide-view and complicated object scenes. Solutions developed to date are mostly computationally intensive, and in so far only reconstruction of simple object scenes have been demonstrated. In this paper we report a low complexity method for reconstructing a focused image from an optical scanned hologram that is representing a 3-D object scene. Briefly, a complex hologram is back-propagated onto regular spaced images along the axial direction, and from which a crude, blocky depth map of the object scene is computed according to non-overlapping block partitioned entropy minimization. Subsequently, the depth map is low-pass filtered to decrease the blocky distribution, and employed to reconstruct a single focused image of the object scene for extended depth of field. The method proposed here can be applied to any complex holograms such as those obtained from standard phase-shifting holography.

Structure of the quaternary complex between SRP, SR, and translocon bound to the translating ribosome.

Science.gov (United States)

Jomaa, Ahmad; Fu, Yu-Hsien Hwang; Boehringer, Daniel; Leibundgut, Marc; Shan, Shu-Ou; Ban, Nenad

2017-05-19

During co-translational protein targeting, the signal recognition particle (SRP) binds to the translating ribosome displaying the signal sequence to deliver it to the SRP receptor (SR) on the membrane, where the signal peptide is transferred to the translocon. Using electron cryo-microscopy, we have determined the structure of a quaternary complex of the translating Escherichia coli ribosome, the SRP-SR in the 'activated' state and the translocon. Our structure, supported by biochemical experiments, reveals that the SRP RNA adopts a kinked and untwisted conformation to allow repositioning of the 'activated' SRP-SR complex on the ribosome. In addition, we observe the translocon positioned through interactions with the SR in the vicinity of the ribosome exit tunnel where the signal sequence is extending beyond its hydrophobic binding groove of the SRP M domain towards the translocon. Our study provides new insights into the mechanism of signal sequence transfer from the SRP to the translocon.

Recovery act. Characterizing structural controls of EGS-candidate and conventional geothermal reservoirs in the Great Basin. Developing successful exploration strategies in extended terranes

Energy Technology Data Exchange (ETDEWEB)

Faulds, James [Univ. of Nevada, Reno, NV (United States)

2015-06-25

We conducted a comprehensive analysis of the structural controls of geothermal systems within the Great Basin and adjacent regions. Our main objectives were to: 1) Produce a catalogue of favorable structural environments and models for geothermal systems. 2) Improve site-specific targeting of geothermal resources through detailed studies of representative sites, which included innovative techniques of slip tendency analysis of faults and 3D modeling. 3) Compare and contrast the structural controls and models in different tectonic settings. 4) Synthesize data and develop methodologies for enhancement of exploration strategies for conventional and EGS systems, reduction in the risk of drilling non-productive wells, and selecting the best EGS sites.

Shallow magnetic inclinations in the Cretaceous Valle Group, Baja California: remagnetization, compaction, or terrane translation?

Science.gov (United States)

Smith, Douglas P.; Busby, Cathy J.

1993-10-01

Paleomagnetic data from Albian to Turonian sedimentary rocks on Cedros Island, Mexico (28.2° N, 115.2° W) support the interpretation that Cretaceous rocks of western Baja California have moved farther northward than the 3° of latitude assignable to Neogene oblique rifting in the Gulf of California. Averaged Cretaceous paleomagnetic results from Cedros Island support 20 ± 10° of northward displacement and 14 ± 7° of clockwise rotation with respect to cratonic North America. Positive field stability tests from the Vizcaino terrane substantiate a mid-Cretaceous age for the high-temperature characteristic remanent magnetization in mid-Cretaceous strata. Therefore coincidence of characteristic magnetization directions and the expected Quaternary axial dipole direction is not due to post mid-Cretaceous remagnetization. A slump test performed on internally coherent, intrabasinal slump blocks within a paleontologically dated olistostrome demonstrates a mid-Cretaceous age of magnetization in the Valle Group. The in situ high-temperature natural remanent magnetization directions markedly diverge from the expected Quaternary axial dipole, indicating that the characteristic, high-temperature magnetization was acquired prior to intrabasinal slumping. Early acquisition of the characteristic magnetization is also supported by a regional attitude test involving three localities in coherent mid-Cretaceous Valle Group strata. Paleomagnetic inclinations in mudstone are not different from those in sandstone, indicating that burial compaction did not bias the results toward shallow inclinations in the Vizcaino terrane.

X-ray photoemission spectroscopy (XPS) and extended x-ray absorption fine structure (EXAFS) studies of silicate based glasses

International Nuclear Information System (INIS)

Karim, D.; Lam, D.J.

1979-01-01

The application of the x-ray photoemission spectroscopy (XPS) technique to study the electronic structure and bonding of heavy metal oxides in alkali- and alkali-earth-silicate glasses had been demonstrated. The bonding characteristics of the iron oxide and uranium oxide in sodium silicate glasses were deduced from the changes in the oxygen 1s levels and the heavy metal core levels. It is reasonable to expect that the effect of leaching on the heavy metal ions can be monitored using the appropriate core levels of these ions. To study the effect of leaching on the glass forming network, the valence band structure of the bridging and nonbridging oxygens in sodium silicate glasses were investigated. The measurement of extended x-ray absorption fine-structure (EXAFS) is a relatively new analytical technique for obtaining short range (<5 A) structural information around atoms of a selected species in both solid and fluid systems. Experiments have recently begun to establish the feasibility of using EXAFS to study the bonding of actinides in silicate glasses. Because of the ability of EXAFS to yield specific structural data even in complex multicomponent systems, it could prove to be an invaluable tool in understanding glass structure

The Rooiwater complex and associated rocks, Murchison granitoid-greenstone terrane, Kaapvaal Craton

International Nuclear Information System (INIS)

Vearncombe, J.R.; Walsh, K.L.

1987-01-01

The greater than 2625 Ma Rooiwater Complex is a thick, on-end differentiated basic igneous body exposed along the northern margin of the Murchison schist belt. It is metamorphosed to amphibolite facies and regionally retrograded and hydrothermally altered. Metamorphosed anorthosite, gabbro, pyroxenite, sulphide-bearing gabbros, thick magnetite layers, and granites are compatible with the hypothesis that the Complex is a layered intrusion, tectonically rotated and intruded by younger, genetically unrelated granites. Increasing TiO 2 and decreasing V 2 O 3 contents southwards in the magnetites layers combined with a general southern disposition of differentiated hornblende granite suggest that the Rooiwater Complex faces south. Although the Rubbervale Formation is pervasively deformed and metamorphosed at the greenschist facies, field relations and isotopic and rare earth element data tentatively suggest that a genetic relationship exists, the Rubbervale Formation being a possible roof to the Rooiwater intrusion, being derived from the same or a similar undepleted magmatic source. A paucity of ultramafic cumulates and up to 1,5 km of hornblende granites may relate to a source magma more felsic than that of other layered intrusions. In order to determine model ages for the Eden pluton, the Free State hornblende granite, the Quagga quartz amphibolite, the Rubbervale formation, and the Novengilla gabbro-anorthosite series. Rb-Sr and Pb isotopic analyses were undertaken

The Dom Feliciano belt (Brazil-Uruguay)and its fore land (Rio de la Plata Craton): framework, tectonic evolution and correlations with similar terranes of southwestern Africa

International Nuclear Information System (INIS)

Basei, M.; Siga, O.; Masquelin, H.; Harara, O.; Reis Neto, J.; Preciozzi, F.

2000-01-01

The Dom Feliciano Belt (DFB) stretches for ca. 1,200 km along southeastern Brazil and eastern Uruguay, with an average width of 150 km. From its northern limit in Santa Catarina to its termination m Uruguay, DFB is internally organized according three crustal segments characterized, from southeast to northwest, by a Granitoid belt (calci-alkaline to alkaline granitoid rocks deformed to different degrees); a Schist belt (volcano-sedimentary rocks metamorphosed from green schist to amphibolite facies), and a Fore land belt (sedimentary and anchimetamorphic volcanic rocks), the latter situated between the Schist belt and the old western terranes. Despite discontinuously covered by younger sediments, the continuity of these three segments is suggested by the similar lithotypes and structural characteristics, as well as by the gravimetric geophysical signature.In this work, DBF is interpreted as the product of successive subduction s and collisions related to the agglutination of different terranes generated or intensely reworked from the Neoproterozoic to the Cambrian, during the Brasiliano and Rio Doce orogenesis, with maximum time starting at 900 Ma (opening of the Adamastor Ocean) and ending at 530 Ma (deformation of the fore land basins) related to the tecto no-magmatic events associated with the formation of the Western Gondwana.Besides the Neoproterozoic DFB and its fore land, the Rio de la Plata Craton and the Luis Alves Microplate, constituted by Paleoproterozoic gneissic-migmatitic rocks, two other tectonic units can be recognized in southeastern Brazil and eastern Uruguay: the Sao Gabriel Block (RS) where Neoproterozoic juvenile material can be characterized in regional scale (in great part associated with an island are), and the Punta del Este Terrane, which presents, in southern Uruguay, an ortho gneiss basement with ages around 1,000 Ma and a meta sedimentary cover (Rocha Group), which can correspond in the South-American portion, to the Namaqua and Gariep

Accretionary Tectonics of Rock Complexes in the Western Margin of the Siberian Craton

Science.gov (United States)

Likhanov, I. I.; Nozhkin, A. D.; Savko, K. A.

2018-01-01

The geological, geochemical, and isotope-geochronological evidence of the events at the final stage of the Neoproterozoic history of the Yenisei Range is considered (beginning from the formation of fragments of the oceanic crust in the region and their accretion to the Siberian Craton until the postaccretionary stage of crustal tension and onset of the Caledonian orogeny). Based on an analysis of new data on the petrogeochemical composition, age, and geodynamic nature of the formation of contrasting rocks in the composition of tectonic mélange of the Near-Yenisei (Prieniseiskaya) regional shear zone, we have found the chronological sequence of events that marks the early stages of the Paleoasian Ocean evolution in the zone of its junction with the Siberian Craton. These events are documented by the continental marginal, ophiolitic, and island-arc geological complexes, each of which has different geochemical features. The most ancient structures are represented by fragments of oceanic crust and island arcs from the Isakovka terrane (700-620 Ma). The age of glaucophane-schist metamorphic units that formed in the paleosubduction zone corresponds to the time interval of 640-620 Ma. The formation of high-pressure tectonites in the suture zone, about 600 Ma in age, marks the finishing stage of accretion of the Isakovka block to the western margin of the Siberian Craton. The final events in the early history of the Asian Paleoocean were related to the formation of Late Vendian riftogenic amygdaloidal basalts (572 ± 6.5 Ma) and intrusion of postcollisional leucogranites of the Osinovka massif (550-540 Ma), which intruded earlier fragments of the oceanic crust in the Isakovka terrane. These data allow us to refine the Late Precambrian stratigraphic scheme in the northwestern Trans-Angarian part of the Yenisei Range and the evolutionary features of the Sayan-Yenisei accretionary belt. The revealed Late Neoproterozoic landmarks of the evolution of the Isakovka terrane are

Structure of Complex Verb Forms in Meiteilon

Directory of Open Access Journals (Sweden)

Lourembam Surjit Singh

2016-12-01

Full Text Available This piece of work proposes to descriptively investigate the structures of complex verbs in Meiteilon. The categorization of such verbs is based on the nature of semantic and syntactic functions of a lexeme or verbal lexeme. A lexeme or verbal lexeme in Meiteilon may have multifunctional properties in the nature of occurrence. Such lexical items can be co-occurred together in a phrase as single functional word. Specifically, in the co-occurrences of two lexical items, the first component of lexical items has different semantic and syntactic functions in comparison to semantic and syntactic functions of the second component of lexical items. Such co-occurrences of two lexical items are the forms of complex verb that are covered with the term complex predicate in this work. The investigation in constructing complex predicate is thoroughly presenting in this work. Keywords: Structures, complex verb, conjunct verb, compound verb, complex predicate

A structurally characterized organometallic plutonium(IV) complex

Energy Technology Data Exchange (ETDEWEB)

Apostolidis, Christos; Walter, Olaf [European Commission, Joint Research Centre, Directorate G - Nuclear Safety and Security, Karlsruhe (Germany); Vogt, Jochen; Liebing, Phil; Edelmann, Frank T. [Chemisches Institut, Otto-von-Guericke-Universitaet Magdeburg (Germany); Maron, Laurent [Laboratoire de Physique et Chimie des Nanoobjets (LPCNO), Universite de Toulouse/INSA/CNRS (UMR5215), Toulouse (France)

2017-04-24

The blood-red plutonocene complex Pu(1,3-COT'')(1,4-COT'') (4; COT''=η{sup 8}-bis(trimethylsilyl)cyclooctatetraenyl) has been synthesized by oxidation of the anionic sandwich complex Li[Pu(1,4-COT''){sub 2}] (3) with anhydrous cobalt(II) chloride. The first crystal structure determination of an organoplutonium(IV) complex revealed an asymmetric sandwich structure for 4 where one COT'' ring is 1,3-substituted while the other retains the original 1,4-substitution pattern. The electronic structure of 4 has been elucidated by a computational study, revealing a probable cause for the unexpected silyl group migration. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Choosing the Best Enzyme Complex Structure Made Easy.

Science.gov (United States)

Das, Sayoni; Orengo, Christine

2018-04-03

In this issue of Structure, Tyzack et al. (2018) present a study of enzyme-ligand complexes in the PDB and show that the molecular similarity of bound and cognate ligands can be used to choose the most biologically appropriate complex structure for analysis when multiple structures are available. Copyright © 2018 Elsevier Ltd. All rights reserved.

Geological and Geophysical Integration Regarding a Structural Evolution Modelling of a Suture Zone Controlled by a Cratonic Buttress - The Case of Dom Feliciano Orogenic Belt, SSE Brazil, Implications for Western Gondwana Assembly

Science.gov (United States)

Bruno, H.; Almeida, J.; Heilbron, M. C. P. L.; Salomão, M.

2017-12-01

The matters surrounding the amalgamation of tectonic blocks during the Brasiliano / Pan-African orogeny have been the main subject of study of several works in recent years. The main objective of this work is the hierarchy and discrimination of the boundaries between the known tectonic blocks, integrating geological and geophysical data. The geology of the study area is dominated by Precambrian terranes; Luís Alves Terrane, the vulcanosedimentary sequences of the Itajaí and Campo Alegre Basins, the metasedimentary sequences of the Brusque and Paranaguá Terranes and their granitic suites besides the granitoids of the Florianópolis Terrane. The shear zones and faults that separate these crustal blocks were developed during the Brasiliano / Pan-African orogenic cycle that led to the formation of the supercontinent Gondwana. These tectonic boundaries generally separate blocks of different rheology and crustal thickness. The integration of geological and geophysical data allowed the identification of important structural lineaments and crustal boundaries. The presented geodynamic model suggests that the suture between the block composed of the Brusque, Paranaguá and Florianópolis Terranes and the block composed by the Luís Alves Terrane is the Itajaí Perimbó Shear Zone, and not the Major Gercino Shear Zone as previously suggested. Considering the Itajaí Perimbó Shear Zone as the suture zone, the metassediments of the Brusque Terrane were deposited on the basement of the Florianópolis Terrane, hereby declared as part of the Angola Craton, and are correlated to the metassediments of the Paranaguá Terrane as a passive margin that in approximately ca. 650 My became active margin, functioning as a forearc basin. The oblique collision between the blocks would have occurred with the development of a dextral transpression in the Itajaí Perimbó Shear Zone, separating the Luís Alves Terrane from the Brusque Terrane, a sinistral transcurrence represented by the

Learning Latent Structure in Complex Networks

DEFF Research Database (Denmark)

Mørup, Morten; Hansen, Lars Kai

such as the Modularity, it has recently been shown that latent structure in complex networks is learnable by Bayesian generative link distribution models (Airoldi et al., 2008, Hofman and Wiggins, 2008). In this paper we propose a new generative model that allows representation of latent community structure......Latent structure in complex networks, e.g., in the form of community structure, can help understand network dynamics, identify heterogeneities in network properties, and predict ‘missing’ links. While most community detection algorithms are based on optimizing heuristic clustering objectives...... as in the previous Bayesian approaches and in addition allows learning of node specific link properties similar to that in the modularity objective. We employ a new relaxation method for efficient inference in these generative models that allows us to learn the behavior of very large networks. We compare the link...

A new Kaempferol-based Ru(II) coordination complex, Ru(kaem)Cl(DMSO){sub 3}: Structure and absorption-emission spectroscopy study

Energy Technology Data Exchange (ETDEWEB)

Shao, Ming Wei; Gang, Jong Back; Kim, Sang Ho; Yoon, Min Young [Gachon University, Sungnam (Korea, Republic of)

2016-10-15

Recent interest in developing a new anticancer drug with low side effects has led to the study of the combination of two new anticancer drugs. Although both kaempferol (kaem) and Ru-based metal complexes have not been proven as effective drugs, their unique anticancer activities with reduced side effects have drawn our attention to the need for further studies on their potential in anticancer application. Herein, we report the synthesis, characterization, structure, and spectroscopic properties of a kaem-based Ru (II) complex, RuCl(kaem)(DMSO){sub 3} (1). Because of the presence of a catechol-like functional group in its dihydropyran ring, kaem can strongly bind to the Ru(II) metal center in a basic medium. The molecular structure of the complex was characterized by spectroscopic studies and X-ray crystal structure analysis. In addition, the complex forms a molecular dimer as a result of the cooperative effect of H-bonding and π–π stacking interactions. Moreover, the molecular dimer forms a ladder-like one-dimensional network structure by water mediated H-bonding that further extended into a three-dimensional packing structure. UV–Vis spectroscopy studies of the complex demonstrated the appearance of a strong metal to ligand charge transfer (MLCT) band in the visible region with strong fluorescence emission derived from the MLCT. Further studies are now in progress to demonstrate synergetic anticancer activity.

Solution structure of the luzopeptin-DNA complex

International Nuclear Information System (INIS)

Zhang, Xiaolu; Patel, D.J.

1991-01-01

The luzopeptin-d(C-A-T-G) complex (1 drug/duplex) has been generated in aqueous solution and its structure characterized by a combined application of two-dimensional NMR experiments and molecular dynamics calculations. Once equivalent of luzopeptin binds to the self-complementary tetranucleotide duplex with the 2-fold symmetry of the antitumor agent and the DNA oligomer retained on complex formation. The authors have assigned the exchangeable and nonexchangeable proton resonances of luzopeptin and the d(C-A-T-G) duplex in the complex and identified the intermolecular proton-proton NOEs that define the alignment of the antitumor agent at its binding site in duplex DNA. The analysis was greatly aided by a large number of intermolecular NOEs involving exchangeable protons on both the luzopeptin and the DNA in the complex. The formation of cis peptide bonds for luzopeptin in the complex results in an increased separation of the long sides of the rectangular cyclic depsipeptide backbone and reorients in the glycine amide proton so that it can form an intermolecular hydrogen bond with the 2-carbonyl of T3 in the complex. This observation explains, in part, the requirement for Watson-Crick A·T pairs to be sandwiched between the quinolines at the bisintercalation site in the luzopeptin-DNA complex. The NMR studies on the luzopeptin-d(C-A-T-G) complex unequivocally establish that antitumor agents can undergo conformational transitions on complex formation with DNA, and it is the conformation of the drug in the complex that should serve as the starting point for drug design studies. The above structural details on the solution structure of the luzopeptin-DNA complex also explain the sequence selectivity of luzopeptin for bisintercalation at d(C-A)·d(T-G) steps in the d(C-A-T-G) duplex in solution

Anisotropy signature in reverse-time migration extended images

KAUST Repository

Sava, Paul C.; Alkhalifah, Tariq Ali

2014-01-01

Reverse-time migration can accurately image complex geologic structures in anisotropic media. Extended images at selected locations in the Earth, i.e., at common-image-point gathers, carry rich information to characterize the angle-dependent illumination and to provide measurements for migration velocity analysis. However, characterizing the anisotropy influence on such extended images is a challenge. Extended common-image-point gathers are cheap to evaluate since they sample the image at sparse locations indicated by the presence of strong reflectors. Such gathers are also sensitive to velocity error that manifests itself through moveout as a function of space and time lags. Furthermore, inaccurate anisotropy leaves a distinctive signature in common-image-point gathers, which can be used to evaluate anisotropy through techniques similar to the ones used in conventional wavefield tomography. It specifically admits a V-shaped residual moveout with the slope of the "V" flanks depending on the anisotropic parameter η regardless of the complexity of the velocity model. It reflects the fourth-order nature of the anisotropy influence on moveout as it manifests itself in this distinct signature in extended images after handling the velocity properly in the imaging process. Synthetic and real data observations support this assertion.

Anisotropy signature in reverse-time migration extended images

KAUST Repository

Sava, Paul C.

2014-11-04

Reverse-time migration can accurately image complex geologic structures in anisotropic media. Extended images at selected locations in the Earth, i.e., at common-image-point gathers, carry rich information to characterize the angle-dependent illumination and to provide measurements for migration velocity analysis. However, characterizing the anisotropy influence on such extended images is a challenge. Extended common-image-point gathers are cheap to evaluate since they sample the image at sparse locations indicated by the presence of strong reflectors. Such gathers are also sensitive to velocity error that manifests itself through moveout as a function of space and time lags. Furthermore, inaccurate anisotropy leaves a distinctive signature in common-image-point gathers, which can be used to evaluate anisotropy through techniques similar to the ones used in conventional wavefield tomography. It specifically admits a V-shaped residual moveout with the slope of the "V" flanks depending on the anisotropic parameter η regardless of the complexity of the velocity model. It reflects the fourth-order nature of the anisotropy influence on moveout as it manifests itself in this distinct signature in extended images after handling the velocity properly in the imaging process. Synthetic and real data observations support this assertion.

Structures of NodZ α1,6-fucosyltransferase in complex with GDP and GDP-fucose

Energy Technology Data Exchange (ETDEWEB)

Brzezinski, Krzysztof [Argonne National Laboratory, Argonne, IL 60439 (United States); Polish Academy of Sciences, 61-704 Poznan (Poland); Dauter, Zbigniew [Argonne National Laboratory, Argonne, IL 60439 (United States); Jaskolski, Mariusz, E-mail: mariuszj@amu.edu.pl [Polish Academy of Sciences, 61-704 Poznan (Poland); A. Mickiewicz University, 60-780 Poznan (Poland); Argonne National Laboratory, Argonne, IL 60439 (United States)

2012-02-01

Crystal structures of the bacterial α1,6-fucosyltransferase NodZ in complex with GDP and GDP-fucose are presented. Rhizobial NodZ α1,6-fucosyltransferase (α1,6-FucT) catalyzes the transfer of the fucose (Fuc) moiety from guanosine 5′-diphosphate-β-l-fucose to the reducing end of the chitin oligosaccharide core during Nod-factor (NF) biosynthesis. NF is a key signalling molecule required for successful symbiosis with a legume host for atmospheric nitrogen fixation. To date, only two α1,6-FucT structures have been determined, both without any donor or acceptor molecule that could highlight the structural background of the catalytic mechanism. Here, the first crystal structures of α1,6-FucT in complex with its substrate GDP-Fuc and with GDP, which is a byproduct of the enzymatic reaction, are presented. The crystal of the complex with GDP-Fuc was obtained through soaking of native NodZ crystals with the ligand and its structure has been determined at 2.35 Å resolution. The fucose residue is exposed to solvent and is disordered. The enzyme–product complex crystal was obtained by cocrystallization with GDP and an acceptor molecule, penta-N-acetyl-l-glucosamine (penta-NAG). The structure has been determined at 1.98 Å resolution, showing that only the GDP molecule is present in the complex. In both structures the ligands are located in a cleft formed between the two domains of NodZ and extend towards the C-terminal domain, but their conformations differ significantly. The structures revealed that residues in three regions of the C-terminal domain, which are conserved among α1,2-, α1,6- and protein O-fucosyltransferases, are involved in interactions with the sugar-donor molecule. There is also an interaction with the side chain of Tyr45 in the N-terminal domain, which is very unusual for a GT-B-type glycosyltransferase. Only minor conformational changes of the protein backbone are observed upon ligand binding. The only exception is a movement of the loop

Alpha complexes in protein structure prediction

DEFF Research Database (Denmark)

Winter, Pawel; Fonseca, Rasmus

2015-01-01

Reducing the computational effort and increasing the accuracy of potential energy functions is of utmost importance in modeling biological systems, for instance in protein structure prediction, docking or design. Evaluating interactions between nonbonded atoms is the bottleneck of such computations......-complexes from scratch for every configuration encountered during the search for the native structure would make this approach hopelessly slow. However, it is argued that kinetic a-complexes can be used to reduce the computational effort of determining the potential energy when "moving" from one configuration...... to a neighboring one. As a consequence, relatively expensive (initial) construction of an a-complex is expected to be compensated by subsequent fast kinetic updates during the search process. Computational results presented in this paper are limited. However, they suggest that the applicability of a...

Relationships between structural complexity, coral traits, and reef fish assemblages

Science.gov (United States)

Darling, Emily S.; Graham, Nicholas A. J.; Januchowski-Hartley, Fraser A.; Nash, Kirsty L.; Pratchett, Morgan S.; Wilson, Shaun K.

2017-06-01

With the ongoing loss of coral cover and the associated flattening of reef architecture, understanding the links between coral habitat and reef fishes is of critical importance. Here, we investigate whether considering coral traits and functional diversity provides new insights into the relationship between structural complexity and reef fish communities, and whether coral traits and community composition can predict structural complexity. Across 157 sites in Seychelles, Maldives, the Chagos Archipelago, and Australia's Great Barrier Reef, we find that structural complexity and reef zone are the strongest and most consistent predictors of reef fish abundance, biomass, species richness, and trophic structure. However, coral traits, diversity, and life histories provided additional predictive power for models of reef fish assemblages, and were key drivers of structural complexity. Our findings highlight that reef complexity relies on living corals—with different traits and life histories—continuing to build carbonate skeletons, and that these nuanced relationships between coral assemblages and habitat complexity can affect the structure of reef fish assemblages. Seascape-level estimates of structural complexity are rapid and cost effective with important implications for the structure and function of fish assemblages, and should be incorporated into monitoring programs.

40Ar/39Ar incremental-release ages of biotite from a progressively remetamorphosed Archean basement terrane in southwestern Labrador

International Nuclear Information System (INIS)

Dallmeyer, R.D.

1982-01-01

Gneisses within Archean basement terrane adjacent to the southwestern portion of the Labrador Trough were variably retrograded during a regional metamorphism of Grenville age (ca. 1000 Ma). Bioties from non-retrograded segments of the gneiss terrane record 40 Ar/ 39 Ar plateau and isochron ages which date times of cooling following an episode of the Kenoran orogeny (2376-2391 Ma). A suite of gneiss samples displaying varying degrees of retrograde alteration was collected across the Grenville metamorphic gradient. Bioties in these samples show no petrographic evidence of retrograde alteration, however they do record internally discordant 40 Ar/ 39 Ar age spectra. Although the extent of internal discordance is variable, the overall character of the release patterns is similar with younger apparent ages recorded in intermediate-temperature gas fractions. The total-gas dates range from 2257+-27 Ma (northwest) to 1751+-23 Ma (southeast), suggesting that variable quantities of radiogenic argon were lost from the Archean biotites during Grenville metamorphism. The 'saddle-shaped' nature of the discordant spectra indicates that argon loss was not accomplished through single-stage, volume diffusion processes. (orig./ME)

The structure of the muscle protein complex 4Ca{sup 2+} {center_dot}troponin C {center_dot} troponin

Energy Technology Data Exchange (ETDEWEB)

Olah, G.A.; Trewhella, J. [Los Alamos National Laboratory, NM (United States)

1994-12-31

Analysis of scattering data based on a Monte Carlo integration method was used to 2+ obtain a low resolution model of the 4Ca{sup 2+}{circ} troponin C{circ}troponin I complex. This modeling method allows rapid testing of plausible structures where the best fit model can be ascertained by a comparison between model structure scattering profiles and measured scattering data. In the best fit model, troponin I appears as a spiral structure 2+ that wraps around 4Ca{sup 2+}{circ}troponin C which adopts an extended dumbbell conformation similar to that observed in the crystal structures of troponin C. The Monte Carlo modeling method can be applied to other biological systems in which detailed structural information is lacking.

The complex band structure for armchair graphene nanoribbons

International Nuclear Information System (INIS)

Zhang Liu-Jun; Xia Tong-Sheng

2010-01-01

Using a tight binding transfer matrix method, we calculate the complex band structure of armchair graphene nanoribbons. The real part of the complex band structure calculated by the transfer matrix method fits well with the bulk band structure calculated by a Hermitian matrix. The complex band structure gives extra information on carrier's decay behaviour. The imaginary loop connects the conduction and valence band, and can profoundly affect the characteristics of nanoscale electronic device made with graphene nanoribbons. In this work, the complex band structure calculation includes not only the first nearest neighbour interaction, but also the effects of edge bond relaxation and the third nearest neighbour interaction. The band gap is classified into three classes. Due to the edge bond relaxation and the third nearest neighbour interaction term, it opens a band gap for N = 3M − 1. The band gap is almost unchanged for N = 3M + 1, but decreased for N = 3M. The maximum imaginary wave vector length provides additional information about the electrical characteristics of graphene nanoribbons, and is also classified into three classes

Structures of Mycobacterium Tuberculosis Folylpolyglutamate Synthase Complexed With ADP And AMPPCD

Energy Technology Data Exchange (ETDEWEB)

Young, P.G.; Smith, C.A.; Metcalf, P.; Baker, E.N.

2009-05-28

Folate derivatives are essential vitamins for cell growth and replication, primarily because of their central role in reactions of one-carbon metabolism. Folates require polyglutamation to be efficiently retained within the cell and folate-dependent enzymes have a higher affinity for the polyglutamylated forms of this cofactor. Polyglutamylation is dependent on the enzyme folylpolyglutamate synthetase (FPGS), which catalyzes the sequential addition of several glutamates to folate. FPGS is essential for the growth and survival of important bacterial species, including Mycobacterium tuberculosis, and is a potential drug target. Here, the crystal structures of M. tuberculosis FPGS in complex with ADP and AMPPCP are reported at 2.0 and 2.3 angstroms resolution, respectively. The structures reveal a deeply buried nucleotide-binding site, as in the Escherichia coli and Lactobacillus casei FPGS structures, and a long extended groove for the binding of folate substrates. Differences from the E. coli and L. casei FPGS structures are seen in the binding of a key divalent cation, the carbamylation state of an essential lysine side chain and the adoption of an 'open' position by the active-site beta5-alpha6 loop. These changes point to coordinated events that are associated with dihydropteroate/folate binding and the catalysis of the new amide bond with an incoming glutamate residue.

Application of extended-crystal diffraction techniques to the symmetry and structure analysis of 221-PbBiSrCaCuO

International Nuclear Information System (INIS)

Goodman, P.; Miller, P.

1993-01-01

The discovery of a series of layer-perovskite superconducting compounds by Maeda et al. (1988) presented a challenge for present day electron diffraction techniques, due to their common occurrence as mixed phases, and the existence of complex structural modulations of more than one type. Cowley's (1976) theory developed specifically for describing diffraction effects from layered crystals having a micro-domainal sub-structure seems particularly well suited to the task of solving these structures, while the technique of extended-crystal diffraction is shown here to be capable of providing data of sufficient precision for this analysis. The present study is made on the 221 compound of PbBiSrCaCuO. Using the above diffraction techniques it is shown that the true symmetry of the whole structure is orthorhombic, Amaa, and not monoclinic as previously assumed, and that the superlattice reflections arise as a result of a basic microdomainal constitution, rather than from a uniform and incommensurate modulation. 8 figs

Shear wave velocity structure of the Anatolian Plate and surrounding regions using Ambient Noise Tomography

Science.gov (United States)

Delph, J. R.; Beck, S. L.; Zandt, G.; Biryol, C. B.; Ward, K. M.

2013-12-01

The Anatolian Plate consists of various lithospheric terranes amalgamated during the closure of the Tethys Ocean, and is currently extruding to the west in response to a combination of the collision of the Arabian plate in the east and the roll back of the Aegean subduction zone in the west. We used Ambient Noise Tomography (ANT) at periods structure of the Anatolian Plate. We computed a total of 13,779 unique cross-correlations using one sample-per-second vertical component broadband seismic data from 215 stations from 8 different networks over a period of 7 years to compute fundamental-mode Rayleigh wave dispersion curves following the method of Benson et al. (2007). We then inverted the dispersion data to calculate phase velocity maps for 11 periods from 8 s - 40 s throughout Anatolia and the Aegean regions (Barmin et al. 2001). Using smoothed Moho values derived from Vanacore et al. (2013) in our starting models, we inverted our dispersion curves using a linear least-squares iterative inversion scheme (Herrmann & Ammon 2004) to produce a 3-D shear-wave velocity model of the crust and uppermost mantle throughout Anatolia and the Aegean. We find a good correlation between our seismic shear wave velocities and paleostructures (suture zones) and modern deformation (basin formation and fault deformation). The most prominent crustal velocity contrasts occur across intercontinental sutures zones, resulting from the juxtaposition of the compositionally different basements of the amalgamated terranes. At shallow depths, seismic velocity contrasts correspond closely with surficial features. The Thrace, Cankiri and Tuz Golu basins, and accretionary complexes related to the closure of the Neotethys are characterized by slow shear wave velocities, while the Menderes and Kirsehir Massifs, Pontides, and Istanbul Zone are characterized by fast velocities. We find that the East Anatolia Plateau has slow shear-wave velocities, as expected due to high heat flow and active

A thermodynamical and structural study on the complexation of trivalent lanthanides with a polycarboxylate based concrete superplasticizer.

Science.gov (United States)

Fröhlich, Daniel R; Maiwald, Martin M; Taube, Franziska; Plank, Johann; Panak, Petra J

2017-03-21

The complexation of trivalent lanthanides with a commercial polycarboxylate based concrete superplasticizer (Glenium® 51) is investigated using different spectroscopic techniques. Time-resolved laser fluorescence spectroscopy (TRLFS) in combination with a charge neutralization model is used to determine temperature dependent conditional stability constants (log β'(T)) for the complexation of Eu(iii) with Glenium® 51 in 0.1 mol kg -1 NaCl solution in the temperature range of 20-90 °C. Only one complex species is observed, and log β'(T) (given in kg per mol eq) shows a very slight increase with temperature from 7.5 to 7.9. The related conditional molar reaction enthalpy (Δ r H' m ) and entropy (Δ r S' m ) obtained using the Van't Hoff equation show that the complexation reaction is slightly endothermic and entropy driven. The thermodynamic investigations are complemented by structural data for complexes formed with Gd(iii) or Tb(iii) and Glenium® 51 using extended X-ray absorption fine structure (EXAFS) spectroscopy. The results imply a non-chelate coordination of the trivalent metals through approximately three carboxylic functions of the polycarboxylate comb polymer which are attached predominantly in a bidentate fashion to the lanthanide under the given experimental conditions.

Structure analysis of InN film using extended X-ray absorption fine structure method

Energy Technology Data Exchange (ETDEWEB)

Miyajima, T.; Kobayashi, T.; Hirata, S. [Core Technology Development Center, Core Technology and Network Company, Sony Corporation, 4-14-1 Asahi-cho, Atsugi, Kanagawa 243-0014 (Japan); Kudo, Y.; Liu, K.L. [Technology Solutions Center, Sony Corporation, 4-16-1 Okata, Atsugi, Kanagawa 243-0021 (Japan); Uruga, T.; Honma, T. [Japan Synchrotron Radiation Research Institute, Mikazuki-cho, Hyogo 679-5198 (Japan); Saito, Y.; Hori, M.; Nanishi, Y. [Department of Photonics, Ritsumeikan University, 1-1-1 Noji-Higashi, Kusatsu, Shiga 525-8577 (Japan)

2002-12-01

We investigated the local atomic structure around In atoms of MBE-grown InN which has a direct bandgap energy of 0.8 eV, using extended X-ray absorption fine structure (EXAFS) oscillation of In K-edge. The signals from the first-nearest neighbor atoms (N) and second-nearest atoms (In) from In atoms were clearly observed and the atomic bond length of In-N and In-In was estimated to be d{sub In-N}=0.215 nm and d{sub In-In}=0.353 nm, respectively. The In-N bond length of d{sub In-In}=0.353 nm was closed to the a-axis lattice constant of a=0.3536 nm, which was determined using X-ray diffraction measurements. The obtained local atomic structure agreed with the calculated ideal structure. We conclude, therefore, that the InN film with a bandgap energy of 0.8 eV has a high structural symmetry in the range of a few A around In atoms. (Abstract Copyright [2002], Wiley Periodicals, Inc.)

Structure analysis of InN film using extended X-ray absorption fine structure method

International Nuclear Information System (INIS)

Miyajima, T.; Kobayashi, T.; Hirata, S.; Kudo, Y.; Liu, K.L.; Uruga, T.; Honma, T.; Saito, Y.; Hori, M.; Nanishi, Y.

2002-01-01

We investigated the local atomic structure around In atoms of MBE-grown InN which has a direct bandgap energy of 0.8 eV, using extended X-ray absorption fine structure (EXAFS) oscillation of In K-edge. The signals from the first-nearest neighbor atoms (N) and second-nearest atoms (In) from In atoms were clearly observed and the atomic bond length of In-N and In-In was estimated to be d In-N =0.215 nm and d In-In =0.353 nm, respectively. The In-N bond length of d In-In =0.353 nm was closed to the a-axis lattice constant of a=0.3536 nm, which was determined using X-ray diffraction measurements. The obtained local atomic structure agreed with the calculated ideal structure. We conclude, therefore, that the InN film with a bandgap energy of 0.8 eV has a high structural symmetry in the range of a few A around In atoms. (Abstract Copyright [2002], Wiley Periodicals, Inc.)

Structure Theory for Extended Kepler-Coulomb 3D Classical Superintegrable Systems

Directory of Open Access Journals (Sweden)

Ernie G. Kalnins

2012-06-01

Full Text Available The classical Kepler-Coulomb system in 3 dimensions is well known to be 2nd order superintegrable, with a symmetry algebra that closes polynomially under Poisson brackets. This polynomial closure is typical for 2nd order superintegrable systems in 2D and for 2nd order systems in 3D with nondegenerate (4-parameter potentials. However the degenerate 3-parameter potential for the 3D extended Kepler-Coulomb system (also 2nd order superintegrable is an exception, as its quadratic symmetry algebra doesn't close polynomially. The 3D 4-parameter potential for the extended Kepler-Coulomb system is not even 2nd order superintegrable. However, Verrier and Evans (2008 showed it was 4th order superintegrable, and Tanoudis and Daskaloyannis (2011 showed that in the quantum case, if a second 4th order symmetry is added to the generators, the double commutators in the symmetry algebra close polynomially. Here, based on the Tremblay, Turbiner and Winternitz construction, we consider an infinite class of classical extended Kepler-Coulomb 3- and 4-parameter systems indexed by a pair of rational numbers (k_1,k_2 and reducing to the usual systems when k_1=k_2=1. We show these systems to be superintegrable of arbitrarily high order and work out explicitly the structure of the symmetry algebras determined by the 5 basis generators we have constructed. We demonstrate that the symmetry algebras close rationally; only for systems admitting extra discrete symmetries is polynomial closure achieved. Underlying the structure theory is the existence of raising and lowering constants of the motion, not themselves polynomials in the momenta, that can be employed to construct the polynomial symmetries and their structure relations.

Synthesis and Crystal Structures of Ni(II)/(III) and Zn(II) Complexes with Schiff Base Ligands

International Nuclear Information System (INIS)

Koo, Bon Kweon

2013-01-01

Coordination polymers are of great interest due to their intriguing structural motifs and potential applications in optical, electronic, magnetic, and porous materials. The most commonly used strategy for designing such materials relies on the utilization of multidentate N- or Odonor ligands which have the capacity to bridge between metal centers to form polymeric structures. The Schiff bases with N,O,S donor atoms are an useful source as they are readily available and easily form stable complexes with most transition metal ions. Schiff bases are also important intermediates in synthesis of some bioactive compounds and are potent anti-bacterial, anti-fungal, anticancer and antiviral compounds. In this work, the Schiff bases, Hapb and Hbpb, derived from 2-acetylpyridene or 2-benzoylpyridine and benzhydrazide were taken as trifunctional (N,N,O) monobasic ligand (Scheme 1). This ligand is of important because the π-delocalization of charge and the configurational flexibility of their molecular chain can give rise to a great variety of coordination modes. Although many metal.Schiff base complexes have been reported, the 1D, 2D, and 3D networks of coordination polymers linked through the bridging of ligands such as dicyanamide, N(CN) 2 - as coligand have been little published. In the process of working to extend the dimensionality of the metal-Schiff base complexes using benzilic acid as a bridging ligand, we obtained three simple metal (II)/(III) complexes of acetylpyridine/2-benzoyl pyridine based benzhydrazide ligand. Therefore, we report here the synthesis and crystal structures of the complexes

The O2-Evolving Complex of Photosystem II: Recent Insights from Quantum Mechanics/Molecular Mechanics (QM/MM), Extended X-ray Absorption Fine Structure (EXAFS), and Femtosecond X-ray Crystallography Data.

Science.gov (United States)

Askerka, Mikhail; Brudvig, Gary W; Batista, Victor S

2017-01-17

Efficient photoelectrochemical water oxidation may open a way to produce energy from renewable solar power. In biology, generation of fuel due to water oxidation happens efficiently on an immense scale during the light reactions of photosynthesis. To oxidize water, photosynthetic organisms have evolved a highly conserved protein complex, Photosystem II. Within that complex, water oxidation happens at the CaMn 4 O 5 inorganic catalytic cluster, the so-called oxygen-evolving complex (OEC), which cycles through storage "S" states as it accumulates oxidizing equivalents and produces molecular oxygen. In recent years, there has been significant progress in understanding the OEC as it evolves through the catalytic cycle. Studies have combined conventional and femtosecond X-ray crystallography with extended X-ray absorption fine structure (EXAFS) and quantum mechanics/molecular mechanics (QM/MM) methods and have addressed changes in protonation states of μ-oxo bridges and the coordination of substrate water through the analysis of ammonia binding as a chemical analog of water. These advances are thought to be critical to understanding the catalytic cycle since protonation states regulate the relative stability of different redox states and the geometry of the OEC. Therefore, establishing the mechanism for substrate water binding and the nature of protonation/redox state transitions in the OEC is essential for understanding the catalytic cycle of O 2 evolution. The structure of the dark-stable S 1 state has been a target for X-ray crystallography for the past 15 years. However, traditional X-ray crystallography has been hampered by radiation-induced reduction of the OEC. Very recently, a revolutionary X-ray free electron laser (XFEL) technique was applied to PSII to reveal atomic positions at 1.95 Å without radiation damage, which brought us closer than ever to establishing the ultimate structure of the OEC in the S 1 state. However, the atom positions in this crystal

Post-structuralism, Complexity and Poetics.

OpenAIRE

Dillon, Michael

2000-01-01

Post-structuralism and complexity are plural and diverse modes of thought that share a common subscription to the �anteriority of radical relationality�. They nonetheless subscribe to a different ethic of life because they address the anteriority of radical relationality in different ways. Complexity remains strategic in its bid to become a power-knowledge of the laws of becoming. It derives that strategic ethic from its scientific interest in the implicate order of non-linearity that is ...

Solid state structure of thorium(IV) complexes with common aminopoly-carboxylate ligands

International Nuclear Information System (INIS)

Thuery, Pierre

2011-01-01

The crystal structures of the complexes formed by reaction of thorium(IV) nitrate with iminodiacetic acid (H 2 IDA), nitrilotriacetic acid (H 3 NTA), and ethylenediaminetetraacetic acid (H 4 EDTA) under hydrothermal conditions are reported. In [Th(HIDA) 2 (C 2 O 4 )].H 2 O (1), the metal atom is chelated by two carboxylate groups from two HIDA - anions and by two oxalate ligands formed in situ; two additional oxygen atoms from two more HIDA - anions complete the ten-coordinate environment of bi-capped square anti-prismatic geometry. The uncoordinated nitrogen atom is protonated and involved in hydrogen bonding. Two different ligands are present in [Th(NTA)(H 2 NTA)(H 2 O)].H 2 O (2), one of them being a O 3 ,N-chelating tri-anion which acts also as a bridge toward two neighboring metal ions, and the other being a bis-monodentate bridging species with an uncoordinated carboxylic arm and a central ammonium group. An aqua ligand completes the nine-coordinated, capped square anti-prismatic metal environment. The EDTA 4- anion in [Th(EDTA)(H 2 O)].2H 2 O (3) is chelating through one oxygen atom from each carboxylate group and the two nitrogen atoms, as in a previously reported molecular complex. Two carboxylate groups are bridging, which, with the addition of an aqua ligand, gives a capped square anti-prismatic coordination polyhedron. Aminopoly-carboxylate ligands have been much investigated in relation with actinide decorporation and nuclear wastes management studies, and the present results add to the structural information available on their complexes with thorium(IV), which has mainly been obtained up to now by extended X-ray absorption fine structure (EXAFS) spectroscopy. In particular, the bridging (non-chelating) coordination mode of H 2 NTA - is a novel feature in this context. All three complexes crystallize as two-dimensional assemblies and are thus novel examples of thorium-organic coordination polymers. (author)

An extended Fourier modal method for plane-wave scattering from finite structures

NARCIS (Netherlands)

Pisarenco, M.; Maubach, J.M.L.; Setija, I.D.; Mattheij, R.M.M.

2010-01-01

This paper extends the area of application of the Fourier modal method from periodic structures to aperiodic ones, in particular for plane-wave illumination at arbitrary angles. This is achieved by placing perfectly matched layers at the lateral sides of the computational domain and reformulating

Group actions, non-Kähler complex manifolds and SKT structures

Directory of Open Access Journals (Sweden)

Poddar Mainak

2018-02-01

Full Text Available We give a construction of integrable complex structures on the total space of a smooth principal bundle over a complex manifold, with an even dimensional compact Lie group as structure group, under certain conditions. This generalizes the constructions of complex structure on compact Lie groups by Samelson and Wang, and on principal torus bundles by Calabi-Eckmann and others. It also yields large classes of new examples of non-Kähler compact complex manifolds. Moreover, under suitable restrictions on the base manifold, the structure group, and characteristic classes, the total space of the principal bundle admits SKT metrics. This generalizes recent results of Grantcharov et al. We study the Picard group and the algebraic dimension of the total space in some cases. We also use a slightly generalized version of the construction to obtain (non-Kähler complex structures on tangential frame bundles of complex orbifolds.

Boolean Operations, Joins, and the Extended Low Hierarchy

OpenAIRE

Hemaspaandra, Lane A.; Jiang, Zhigen; Rothe, Joerg; Watanabe, Osamu

1999-01-01

We prove that the join of two sets may actually fall into a lower level of the extended low hierarchy than either of the sets. In particular, there exist sets that are not in the second level of the extended low hierarchy, EL_2, yet their join is in EL_2. That is, in terms of extended lowness, the join operator can lower complexity. Since in a strong intuitive sense the join does not lower complexity, our result suggests that the extended low hierarchy is unnatural as a complexity measure. We...

Early Jurassic Volcanism in the South Lhasa Terrane, Southern Tibet: Record of Back-arc Extension in the Active Continental Margin

Science.gov (United States)

Wei, Y.; Zhao, Z.; Zhu, D. C.; Wang, Z.; Liu, D.; Mo, X.

2015-12-01

Indus-Yarlung Zangbo Suture Zone (IYZSZ) represents the Mesozoic remnants of the Neo-Tethyan Ocean lithosphere after its northward subduction beneath the Lhasa Terrane. The evolution of the Neo-Tethyan Ocean prior to India-Asia collision remains unclear. To explore this period of history, we investigate zircon U-Pb geochronology, geochemistry and Nd-Hf isotopes of the Early Jurassic bimodal-like volcanic sequence around Dagze area, south Tibet. The volcanic sequence comprises calc-alkaline basalts to rhyolites whereas intermediate components are volumetrically restricted. Zircons from a basaltic andesite yielded crystallization age of 178Ma whereas those from 5 silicic rocks were dated at 183-174Ma, which suggest that both the basaltic and the silicic rocks are coeval. The basaltic rocks are enriched in LREE and LILE, and depleted in HFSE, with Epsilon Nd(t) of 1.6-4.0 and zircon Epsilon Hf(t) of 0.7-11.8, which implies that they were derived from a heterogenetic mantle source metasomatized by subduction components. Trace element geochemistry shows that the basaltic rocks are compositionally transitional from normal mid-ocean ridge basalts (N-MORB) to island arc basalts (IAB, e.g. Zedong arc basalts of ~160-155Ma in the south margin of Lhasa Terrane), with the signature of immature back-arc basin basalts. The silicic rocks display similar Nd-Hf isotopic features of the Gangdese batholith with Epsilon Nd(t) of 0.9-3.4 and zircon Epsilon Hf(t) of 2.4-17.7, indicating that they were possibly generated by anatexis of basaltic juvenile lower crust, instead of derived from the basaltic magma. These results support an Early to Middle Jurassic (183-155Ma) model that the back-arc extension tectonic setting were existing in the active continental margin in the south Lhasa Terrane.

Astrophysical extended X-ray absorption fine-structure analysis

International Nuclear Information System (INIS)

Woo, J.W.; Forrey, R.C.; Cho, K.; Department of Physics and Division of Applied Sciences, Harvard University)

1997-01-01

We present an astrophysical extended X-ray absorption fine-structure (EXAFS) analysis (AEA) tool. The AEA tool is designed to generate a numerical model of the modification to the X-ray absorption coefficient due to the EXAFS phenomenon. We have constructed a complete database (elements up to the atomic number 92) of EXAFS parameters: central atom phase shift (2δ 1 ), backscattering phase shift (φ b ), and backscattering amplitude (F). Using the EXAFS parameter data base, the AEA tool can generate a numerical model of any compound when the atomic numbers of neighboring atoms and their distances to the central X-ray-absorbing atom are given. copyright 1997 The American Astronomical Society

Extended X-ray absorption fine structure investigation of nitrogen stabilized expanded austenite

DEFF Research Database (Denmark)

Oddershede, Jette; Christiansen, Thomas; Ståhl, Kenny

2010-01-01

As-delivered austenitic stainless steel and nitrogen stabilized expanded austenite, both fully nitrided and denitrided (in H2), were investigated with Cr, Fe and Ni extended X-ray absorption fine structure. The data shows pronounced short-range ordering of Cr and N. For the denitrided specimen...

Precambrian Terranes of African affinities in the southeastern part of Brazil and Uruguay

International Nuclear Information System (INIS)

Preciozzi, F.; Basei, M.; Siga Junior, H.; Sato, K.; Kaufuss, G.

2006-01-01

The interest in correlating terranes at opposite margins of the South Atlantic Ocean reflects a natural curiosity of both researchers who work in the eastern South-America and who study southwestern Africa. On a large scale scenario the geology of this region is characterized by a central portion composed of Neoproterozoic-Cambrian belts (Dom Feliciano, Kao ko, Damara, Gariep, Saldania) having on each side old gneissic-migmatitic terrains on both continents (Luis Alves, Rio de La Plata, Kalahari and Congo). In South America the Neoproterozoic Dom Feliciano Belt (DFB) predominates in the eastern part of the region and is internally organized according to three different crustal segments characterized, from southeast to northwest, by a Granite belt (deformed I-type medium to high calc-alkaline granites and alkaline granitoid rocks; a Schist belt (volcano-sedimentary rocks metamorphosed from green schist to amphibolite facies and intrusive granitoids), and a Fore land basin (anchimetamorphic sedimentary and volcanic rocks), the latter situated between the Schist belt and the Archean-Paleoproterozoic fore land. Despite discontinuously covered by younger sediments, the NS continuity of these three crustal segments is suggested by similar lithotypes, structural characteristics, ages and isotopic signature, as well as by the gravimetric data. The Major Gercino, Cordilheira, and Sierra Ballena shear zones are part of the major NE-SW lineaments that affect all southern Brazilian and Uruguayan Precambrian terrains. They separate the Dom Feliciano Schist Belt (supra crustal rocks of the Brusque-Porongos and Lavalleja groups), to the West, from the granitoids of the Granite belt, to the East. The shear zones are characterized by a regional NE trend and a resultant oblique direction of movement where ductile-brittle structures predominate

A numerical study on the flow upstream of a wind turbine on complex terran

DEFF Research Database (Denmark)

Meyer Forsting, Alexander Raul; Bechmann, Andreas; Troldborg, Niels

2016-01-01

The interaction of a wind turbine with the upstream flow-field in complex and flat terrain is studied using Reynolds-averaged Navier-Stokes (RANS) simulations with a two equation turbulence closure. The complex site modelled is Perdigao (Portugal), where a turbine is located on one of two parallel...... the wind turbine wake trajectory which in turn governs the orientation of the induction zone...

An exotic terrane in the Sulu UHP region, China

Science.gov (United States)

Chu, W.; Zhang, R.; Tsujimori, T.; Liou, J. G.

2004-12-01

The Haiyangsuo region of about 15 km2 along the coast in the NE part of the Triassic Sulu UHP terrane occurs three major rock types: amphibolitized metagabbro, gneiss and granitic dikes. Three different gneisses were observed in the field: A) Light color felsic gneiss is the dominant country rock and contains Qtz, Pl, Ms and Bi. B) Dark color plagioclase-amphibole gneiss occurs as thin layers within country rock; C) Granulite facies rock occurs as discontinuous lens. The amphibolitized metagabbros intrude into the gneisses as massive bodies (several m to hundreds of m in size) and thin dikes. Both metamorphic intrusives and gneisses are cross-cut by granitic dikes. The amphibolitized metagabbro was divided into three types: coronal metagabbro, transitional rock and garnet amphibolite: 1) Coronal metagabbro preserves gabbroic texture and primary assemblage of Opx+Cpx+Pl+Amp+Ilm. Most pyroxene grains are partially rimmed by thin corona of Amp+Ab+Qtz. Garnet occurs as fine-grained coronas at interface between plagioclase, pyroxene or ilmenite. 2) Transitional rocks contain similar assemblage and texture but most orthopyroxenes were partially or totally replaced by Amp+Qtz; garnet increases in content and size. Some gabbroic textures are preserved, but calcic plagioclase was replaced by zoisite, albite and muscovite. 3) Garnet amphibolite occurs at the margins of intrusive bodies and boudins where only minor relict clinopyroxenes preserve. Garnet coronal chains are not clear any more. Granitic dikes show pronounced deformation with mylonitic texture and contain 40-50% quartz porphyroclasts. Zircon separates from 2 metagabbros, 4 gneisses and 1 granitic rock were dated by using Stanford SHRIMP-RG. Metagabbroic zircons are angular and fractured shapes. The upper-intercept ages of gneisses rang from 1730 to about 2400 Ma, indicating variable protoith age. The 2 garnet amphibolites have upper-intercept ages 1734±5Ma and 1735±21Ma respectively. They are much older than

Stochastic transport through complex comb structures

International Nuclear Information System (INIS)

Zaburdaev, V. Yu.; Popov, P. V.; Romanov, A. S.; Chukbar, K. V.

2008-01-01

A unified rigorous approach is used to derive fractional differential equations describing subdiffusive transport through comb structures of various geometrical complexity. A general nontrivial effect of the initial particle distribution on the subsequent evolution is exposed. Solutions having qualitative features of practical importance are given for joined structures with widely different fractional exponents

An evolving tectonic environment of Late Carboniferous to Early Permian granitic plutons in the Chinese Altai and Eastern Junggar terranes, Central Asian Orogenic Belt, NW China

Science.gov (United States)

Zhang, Chen; Liu, Dongdong; Luo, Qun; Liu, Luofu; Zhang, Yunzhao; Zhu, Deyu; Wang, Pengfei; Dai, Quanqi

2018-06-01

The Central Asian Orogenic Belt (CAOB) represents one of the most important sites of juvenile crustal growth during the Phanerozoic. Located in the central part of the CAOB, the Chinese Altai and Eastern Junggar terranes record the collisional processes between the peri-Siberian and Kazakhstan orogenic systems. However, the precise timing of collision between the two terranes remains controversial. The Wukuli and Kadelat plutons in the Chinese Altai belt are dated at ∼305 and ∼280 Ma respectively, whereas the Aketas pluton in the Eastern Junggar terrane is dated at ∼308 Ma. Granites from the Wukuli and Kadelat plutons are strongly peraluminous (A/CNK > 1.1), and are characterized by low Al2O3, Na2O, MnO, MgO, CaO and heavy rare earth element (HREE) contents, but with high SiO2, K2O and Rb contents as well as high Rb/Sr ratios. Granites from the Wukuli pluton have low εNd(t) and εHf(t) values of -3.7 to -3.4 and -9.7 to +4.9, whereas those from the Kadelat pluton have values of -3.6 to -3.4 and -8.0 to +2.6. These features suggest S-type affinity for the Wukuli and Kadelat plutons with magma derivation through partial melting of Mesoproterozoic metasediments. The Aketas pluton is composed of weakly peraluminous quartz monzonites that have A/CNK values ranging from 0.92 to 1.08, with high Na2O, Sr, and Sr/Y, and low Y, Yb, Nb, and Ta. These rocks display positive εNd(t) (+4.8 to +6.4) and εHf(t) (+9.7 to +14.6) values, and low initial 87Sr/86Sr ratios (0.703357-0.703868), similar to modern adakites, suggesting that the quartz monzonites were derived from the partial melting of lower crustal material. The geochemical characteristics suggest that the Aketas pluton was formed in a subduction-related setting, the Wukuli pluton in a syn-collisional setting, and the Kadelat pluton in the subsequent post-orogenic strike-slip-related setting. In combination with data from other granitoids in these two terranes, the Aketas pluton represents the youngest record of

Compact complex surfaces with geometric structures related to split quaternions

International Nuclear Information System (INIS)

Davidov, Johann; Grantcharov, Gueo; Mushkarov, Oleg; Yotov, Miroslav

2012-01-01

We study the problem of existence of geometric structures on compact complex surfaces that are related to split quaternions. These structures, called para-hypercomplex, para-hyperhermitian and para-hyperkähler, are analogs of the hypercomplex, hyperhermitian and hyperkähler structures in the definite case. We show that a compact 4-manifold carries a para-hyperkähler structure iff it has a metric of split signature together with two parallel, null, orthogonal, pointwise linearly independent vector fields. Every compact complex surface admitting a para-hyperhermitian structure has vanishing first Chern class and we show that, unlike the definite case, many of these surfaces carry infinite-dimensional families of such structures. We provide also compact examples of complex surfaces with para-hyperhermitian structures which are not locally conformally para-hyperkähler. Finally, we discuss the problem of non-existence of para-hyperhermitian structures on Inoue surfaces of type S 0 and provide a list of compact complex surfaces which could carry para-hypercomplex structures.

Modelling the structure of complex networks

DEFF Research Database (Denmark)

Herlau, Tue

networks has been independently studied as mathematical objects in their own right. As such, there has been both an increased demand for statistical methods for complex networks as well as a quickly growing mathematical literature on the subject. In this dissertation we explore aspects of modelling complex....... The next chapters will treat some of the various symmetries, representer theorems and probabilistic structures often deployed in the modelling complex networks, the construction of sampling methods and various network models. The introductory chapters will serve to provide context for the included written...

The complex systematics of zircons in migmatitic gneisses: An example from an Archean migmatite along the Patos Shear Zone, Borborema Province, NE Brazil

International Nuclear Information System (INIS)

Costa, A.C.D; Hackspacher, P.C; Dantas, E.L; Fetter, A.H.

2001-01-01

The Northem Tectonic Domain Borborema Province, in Northeast of Brazil records a complex history of tectonic activity ranging from 3.4 Ga to 0.6 Ga (Brito Neves, 1995 and Dantas, 1996). U-Pb systematics of zircons from a migmatitic gneiss just north of the Patos Shear Zone provide an excellent example of the difficulties encountered using conventional single-grain U/Pb zircon geochronology in polydeformed gneiss terranes. Our conventional single grain zircon analyses of a migmatite yielded Archean ages between ca. 3.3 at 2.8 a, as well as some highly discordant Paleoproterozoic ages. Subsequent cathodoluminescence images of these zircon grains showed complex internal structures that possibly record up to 4 separate stages of zircon growth. With such internal complexity, is impossible resolve primary crystallization ages as well as the ages of subsequent overgrowth events using conventional single grain analyses. Such resolution will require analyses of the individual grain domains using the SHRIMP method (au)

Geology of the Prince William Sound and Kenai Peninsula region, Alaska

Science.gov (United States)

Wilson, Frederic H.; Hults, Chad P.

2012-01-01

The Prince William Sound and Kenai Peninsula region includes a significant part of one of the world’s largest accretionary complexes and a small part of the classic magmatic arc geology of the Alaska Peninsula. Physiographically, the map area ranges from the high glaciated mountains of the Alaska and Aleutian Ranges and the Chugach Mountains to the coastal lowlands of Cook Inlet and the Copper River delta. Structurally, the map area is cut by a number of major faults and postulated faults, the most important of which are the Border Ranges, Contact, and Bruin Bay Fault systems. The rocks of the map area belong to the Southern Margin composite terrane, a Tertiary and Cretaceous or older subduction-related accretionary complex, and the Alaska Peninsula terrane. Mesozoic rocks between these two terranes have been variously assigned to the Peninsular or the Hidden terranes. The oldest rocks in the map area are blocks of Paleozoic age within the mélange of the McHugh Complex; however, the protolith age of the greenschist and blueschist within the Border Ranges Fault zone is not known. Extensive glacial deposits mantle the Kenai Peninsula and the lowlands on the west side of Cook Inlet and are locally found elsewhere in the map area. This map was compiled from existing mapping, without generalization, and new or revised data was added where available.

Geochemistry, petrography, and zircon U-Pb geochronology of Paleozoic metaigneous rocks in the Mount Veta area of east-central Alaska: implications for the evolution of the westernmost part of the Yukon-Tanana terrane

Science.gov (United States)

Dusel-Bacon, Cynthia; Day, Warren C.; Aleinikoff, John N.

2013-01-01

We report the results of new mapping, whole-rock major, minor, and trace-element geochemistry, and petrography for metaigneous rocks from the Mount Veta area in the westernmost part of the allochthonous Yukon–Tanana terrane (YTT) in east-central Alaska. These rocks include tonalitic mylonite gneiss and mafic metaigneous rocks from the Chicken metamorphic complex and the Nasina and Fortymile River assemblages. Whole-rock trace-element data from the tonalitic gneiss, whose igneous protolith was dated by SHRIMP U–Pb zircon geochronology at 332.6 ± 5.6 Ma, indicate derivation from tholeiitic arc basalt. Whole-rock analyses of the mafic rocks suggest that greenschist-facies rocks from the Chicken metamorphic complex, a mafic metavolcanic rock from the Nasina assemblage, and an amphibolite from the Fortymile River assemblage formed as island-arc tholeiite in a back-arc setting; another Nasina assemblage greenschist has MORB geochemical characteristics, and another mafic metaigneous rock from the Fortymile River assemblage has geochemical characteristics of calc-alkaline basalt. Our geochemical results imply derivation in an arc and back-arc spreading region within the allochthonous YTT crustal fragment, as previously proposed for correlative units in other parts of the terrane. We also describe the petrography and geochemistry of a newly discovered tectonic lens of Alpine-type metaharzburgite. The metaharzburgite is interpreted to be a sliver of lithospheric mantle from beneath the Seventymile ocean basin or from sub-continental mantle lithosphere of the allochthonous YTT or the western margin of Laurentia that was tectonically emplaced within crustal rocks during closure of the Seventymile ocean basin and subsequently displaced and fragmented by faults.

Theoretical study of the structure and the reactivity of lanthanides and actinides complexes: Activation of small molecules

International Nuclear Information System (INIS)

Castro, Ludovic

2012-01-01

This PhD thesis presents a theoretical study of the structure and the reactivity of organometallic complexes of lanthanides and actinides at the DFT level. After a general introduction of the methods of theoretical chemistry used for the modelling of organometallic reactivity, a study of the participation of 5f electrons in uranium(IV) reactivity is presented. The results show that the large core ECP can be used safely in order to treat the actinide and so that 5f electrons can be treated implicitly. Then, the reactivity of uranium(III) complexes with CO 2 and other analogous molecules is studied via multiple examples from the literature. These studies show that the steric nature of the ligands is very important and controls the reactivity. This study is then extended to samarium(II) complex. Eventually, the reactivity of a hydride complex of cerium(III) with MeOSO 2 Me is investigated and theoretical results are compared with experimental observations. (author) [fr

Reinforcing Visual Grouping Cues to Communicate Complex Informational Structure.

Science.gov (United States)

Bae, Juhee; Watson, Benjamin

2014-12-01

In his book Multimedia Learning [7], Richard Mayer asserts that viewers learn best from imagery that provides them with cues to help them organize new information into the correct knowledge structures. Designers have long been exploiting the Gestalt laws of visual grouping to deliver viewers those cues using visual hierarchy, often communicating structures much more complex than the simple organizations studied in psychological research. Unfortunately, designers are largely practical in their work, and have not paused to build a complex theory of structural communication. If we are to build a tool to help novices create effective and well structured visuals, we need a better understanding of how to create them. Our work takes a first step toward addressing this lack, studying how five of the many grouping cues (proximity, color similarity, common region, connectivity, and alignment) can be effectively combined to communicate structured text and imagery from real world examples. To measure the effectiveness of this structural communication, we applied a digital version of card sorting, a method widely used in anthropology and cognitive science to extract cognitive structures. We then used tree edit distance to measure the difference between perceived and communicated structures. Our most significant findings are: 1) with careful design, complex structure can be communicated clearly; 2) communicating complex structure is best done with multiple reinforcing grouping cues; 3) common region (use of containers such as boxes) is particularly effective at communicating structure; and 4) alignment is a weak structural communicator.

Structural Analysis of Complex Networks

CERN Document Server

Dehmer, Matthias

2011-01-01

Filling a gap in literature, this self-contained book presents theoretical and application-oriented results that allow for a structural exploration of complex networks. The work focuses not only on classical graph-theoretic methods, but also demonstrates the usefulness of structural graph theory as a tool for solving interdisciplinary problems. Applications to biology, chemistry, linguistics, and data analysis are emphasized. The book is suitable for a broad, interdisciplinary readership of researchers, practitioners, and graduate students in discrete mathematics, statistics, computer science,

On the metamorphic history of an Archaean granitoid greenstone terrane, East Pilbara, Western Australia, using the 40Ar/39Ar age spectrum technique

International Nuclear Information System (INIS)

Wijbrans, J.R.; McDougall, I.

1987-01-01

Age spectrum analyses of blue-green hornblendes from amphibolites from the Western Shaw Belt, East Pilbara, Western Australia, indicate an age of at least 3200 Ma for early regional metamorphism. Ages on hornblende and muscovite from the narrow contact zone with the adjacent Yule Batholith probably data updoming of the granitoid gneiss terranes at 2950 Ma. Hornblendes from within the Shaw Batholith and from a contact zone of a post-tectonic granitoid yield ages of 2840-2900 Ma, indicating either prolonged high temperatures within the granitoid gneiss terranes or a separate thermal pulse associated with the intrusion of post-tectonic granitoids. The preservation of very old hornblendes in a narrow greenstone belt surrounded by massive granitoid gneiss domes indicates that remarkable contrasts in metamorphic geotherms existed over short distances during the Late Archaean, suggesting that updoming occurred during a period of rapid tectonism. (orig.)

Structural insights into transcription complexes

NARCIS (Netherlands)

Berger, I.; Blanco, A.G.; Boelens, R.; Cavarelli, J.; Coll, M.; Folkers, G.E.; Nie, Y.; Pogenberg, V.; Schultz, P.; Wilmanns, M.; Moras, D.; Poterszman, A.

2011-01-01

Control of transcription allows the regulation of cell activity in response to external stimuli and research in the field has greatly benefited from efforts in structural biology. In this review, based on specific examples from the European SPINE2-COMPLEXES initiative, we illustrate the impact of

Structural design of SBWR reactor building complex using microcomputers

International Nuclear Information System (INIS)

Mandagi, K.; Rajagopal, R.S.; Sawhney, P.S.; Gou, P.F.

1993-01-01

The design concept of Simplified Boiling Water Reactor (SBWR) plant is based on simplicity and passive features to enhance safety and reliability, improve performance, and increase economic viability. The SBWR utilizes passive systems such as Gravity Driven Core-Cooling System (GDCS) and Passive Containment Cooling System (PCCS). To suit these design features the Reactor Building (RB) complex of the SBWR is configured as an integrated structure consisting of a cylindrical Reinforced Concrete Containment Vessel (RCCV) surrounded by square reinforced concrete safety envelope and outer box structures, all sharing a common reinforced concrete basemat. This paper describes the structural analysis and design aspects of the RB complex. A 3D STARDYNE finite element model has been developed for the structural analysis of the complex using a PC Compaq 486/33L microcomputer. The structural analysis is performed for service and factored load conditions for the applicable loading combinations. The dynamic responses of containment structures due to pool hydrodynamic loads have been calculated by an axisymmetric shell model using COSMOS/M program. The RCCV is designed in accordance with ASME Section 3, Division 2 Code. The rest of the RB which is classified as Seismic Category 1 structure is designed in accordance with the ACI 349 Code. This paper shows that microcomputers can be efficiently used for the analysis and design of large and complex structures such as RCCV and Reactor Building complex. The use of microcomputers can result in significant savings in the computational cost compared with that of mainframe computers

Extended x-ray absorption fine structure spectroscopy and x-ray absorption near edge spectroscopy study of aliovalent doped ceria to correlate local structural changes with oxygen vacancies clustering

Energy Technology Data Exchange (ETDEWEB)

Shirbhate, S. C.; Acharya, S. A., E-mail: saha275@yahoo.com [Department of Physics, Rashtrasant Tukadoji Maharaj Nagpur University, Nagpur 440033 (India); Yadav, A. K. [Atomic and molecular Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

2016-04-04

This study provides atomic scale insight to understand the role of aliovalent dopants on oxygen vacancies clustering and dissociation mechanism in ceria system in order to enhance the performance of oxy-ion conductor. Dopants induced microscale changes in ceria are probed by extended X-ray absorption fine structure spectroscopy, X-ray absorption near edge spectra, and Raman spectroscopy. The results are explored to establish a correlation between atomic level structural changes (coordination number, interatomic spacing) → formation of dimer and trimer type cation-oxygen vacancies defect complex (intrinsic and extrinsic) → dissociation of oxygen vacancies from defect cluster → ionic conductivity temperature. It is a strategic approach to understand key physics of ionic conductivity mechanism in order to reduce operating temperature of electrolytes for intermediate temperature (300–450 °C) electrochemical devices for the first time.

Structures of NodZ α1,6-fucosyltransferase in complex with GDP and GDP-fucose.

Science.gov (United States)

Brzezinski, Krzysztof; Dauter, Zbigniew; Jaskolski, Mariusz

2012-02-01

Rhizobial NodZ α1,6-fucosyltransferase (α1,6-FucT) catalyzes the transfer of the fucose (Fuc) moiety from guanosine 5'-diphosphate-β-L-fucose to the reducing end of the chitin oligosaccharide core during Nod-factor (NF) biosynthesis. NF is a key signalling molecule required for successful symbiosis with a legume host for atmospheric nitrogen fixation. To date, only two α1,6-FucT structures have been determined, both without any donor or acceptor molecule that could highlight the structural background of the catalytic mechanism. Here, the first crystal structures of α1,6-FucT in complex with its substrate GDP-Fuc and with GDP, which is a byproduct of the enzymatic reaction, are presented. The crystal of the complex with GDP-Fuc was obtained through soaking of native NodZ crystals with the ligand and its structure has been determined at 2.35 Å resolution. The fucose residue is exposed to solvent and is disordered. The enzyme-product complex crystal was obtained by cocrystallization with GDP and an acceptor molecule, penta-N-acetyl-L-glucosamine (penta-NAG). The structure has been determined at 1.98 Å resolution, showing that only the GDP molecule is present in the complex. In both structures the ligands are located in a cleft formed between the two domains of NodZ and extend towards the C-terminal domain, but their conformations differ significantly. The structures revealed that residues in three regions of the C-terminal domain, which are conserved among α1,2-, α1,6- and protein O-fucosyltransferases, are involved in interactions with the sugar-donor molecule. There is also an interaction with the side chain of Tyr45 in the N-terminal domain, which is very unusual for a GT-B-type glycosyltransferase. Only minor conformational changes of the protein backbone are observed upon ligand binding. The only exception is a movement of the loop located between strand βC2 and helix αC3. In addition, there is a shift of the αC3 helix itself upon GDP

Modeling the Structure and Complexity of Engineering Routine Design Problems

NARCIS (Netherlands)

Jauregui Becker, Juan Manuel; Wits, Wessel Willems; van Houten, Frederikus J.A.M.

2011-01-01

This paper proposes a model to structure routine design problems as well as a model of its design complexity. The idea is that having a proper model of the structure of such problems enables understanding its complexity, and likewise, a proper understanding of its complexity enables the development

Crystal structure of the Msx-1 homeodomain/DNA complex.

Science.gov (United States)

Hovde, S; Abate-Shen, C; Geiger, J H

2001-10-09

The Msx-1 homeodomain protein plays a crucial role in craniofacial, limb, and nervous system development. Homeodomain DNA-binding domains are comprised of 60 amino acids that show a high degree of evolutionary conservation. We have determined the structure of the Msx-1 homeodomain complexed to DNA at 2.2 A resolution. The structure has an unusually well-ordered N-terminal arm with a unique trajectory across the minor groove of the DNA. DNA specificity conferred by bases flanking the core TAAT sequence is explained by well ordered water-mediated interactions at Q50. Most interactions seen at the TAAT sequence are typical of the interactions seen in other homeodomain structures. Comparison of the Msx-1-HD structure to all other high resolution HD-DNA complex structures indicate a remarkably well-conserved sphere of hydration between the DNA and protein in these complexes.

Structural System Identification with Extended Kalman Filter and Orthogonal Decomposition of Excitation

Directory of Open Access Journals (Sweden)

Y. Ding

2014-01-01

Full Text Available Both the structural parameter and external excitation have coupling influence on structural response. A new system identification method in time domain is proposed to simultaneously evaluate structural parameter and external excitation. The method can be used for linear and hysteresis nonlinear structural condition assessment based on incomplete structural responses. In this method, the structural excitation is decomposed by orthogonal approximation. With this approximation, the strongly time-variant excitation identification is transformed to gentle time-variant, even constant parameters identification. Then the extended Kalman filter is applied to simultaneously identify state vector including the structural parameters and excitation orthogonal parameters in state space based on incomplete measurements. The proposed method is validated numerically with the simulation of three-story linear and nonlinear structures subject to external force. The external force on the top floor and the structural parameters are simultaneously identified with the proposed system identification method. Results from both simulations indicate that the proposed method is capable of identifing the dynamic load and structural parameters fairly accurately with contaminated incomplete measurement for both of the linear and nonlinear structural systems.

Dithiolato complexes of molybdenum and tungsten

International Nuclear Information System (INIS)

Nieuwpoort, A.

1975-01-01

The synthesis of eight-coordinated and six-coordinated tungsten and molybdenum complexes with dithioligands is described. Molecular and crystal structures are determined and bond angles, bond lengths and structural parameters tabulated. Infrared spectra of dithiocarbamato complexes are discussed more extensively. Redox reactions are studied by voltammetry and electron transfer properties derived. Properties of the d electrons of the metal ion are interpreted in the ligand field model with data from electronic and e.s.r. spectra and magnetic susceptibilities. The result of molecular orbital calculations with the extended Hueckel-LCAO method are presented for eight-coordinated d 1 and d 2 systems, the six-coordinated complexes, and the free ligands

Syn- and Post-Accretionary Structures in the Neoproterozoic Central Allaqi-Heiani Suture Zone, Southeastern Egypt

Science.gov (United States)

Abdeen, M. M.; Abdelghaffar, A. A.

2012-04-01

The Allaqi-Heiani suture (AHS) is the western part of the main Allaqi-Heiani-Gerf-Onib-Sol Hamed-Yanbu suture and represents one of the Neoproterozoic, arc-arc sutures in the Arabian-Nubian Shield (ANS). It separates the ca. 750 Ma South Eastern Desert terrane in the north from the ca. 830-720 Ma Gabgaba terrane in the south. The AHS is a deformed belt of ophiolitic rocks, syn-tectonic granitoids and metasediments. The central AHS zone is divided into three structural domains. The western domain (Ι) is characterized by NNE low thrusts and SSW-vergent folds. The central domain (ΙΙ) includes upright tight to isoclinal NNW-SSE oriented folds and transpressional faults. The eastern domain (ΙΙΙ) shows NNW-SSE oriented open folds. Structural analysis indicates that the area has a poly-phase deformation history involving at least two events. Event D1 was an N-S to NNE-SSW regional shortening generating the SSW-verging folds and the NNE dipping thrusts. Event D2 was an ENE-WSW shortening producing NNW-SSE oriented folds in the central and eastern parts of the study area and reactivating older thrusts with oblique-slip reverse fault movement. The tectonic evolution of the area involves two episodes of collision: an early collision between the South Eastern Desert terrane and the Gabgaba terrane along the AHS after the consumption of a basin floored by oceanic crust above a north-dipping subduction zone; and a later collision between East- and West-Gondwanas at ca. 750-650 Ma, leading to the closure of the Mozambique Ocean. This collision deformed the AHS along N-S trending shortening zones and produced NW-SE and NE-SW oriented sinistral and dextral transpressional faults, respectively. The early collision episode is related to the terrane accretion during the early Pan-African orogen, while the later phase is related to a late Pan-African or Najd orogen.

Complex three-dimensional structures in Si{1 0 0} using wet bulk micromachining

International Nuclear Information System (INIS)

Pal, Prem; Sato, Kazuo

2009-01-01

Complex three-dimensional structures for microelectromechanical systems (MEMS) are fabricated in Si{1 0 0} wafers using wet bulk micromachining. The structures are divided into two categories: fixed and freestanding. The fabrication processes for both types utilize single wafers with sequentially deposited nitride and oxide layers, local oxidation of silicon (LOCOS) and two steps of wet anisotropic etching. The fixed structures contain perfectly sharp edges. Thermally deposited oxide is used as the material for the freestanding structures. Wet etching is performed in tetramethyl ammonium hydroxide (TMAH) with and without Triton X-100 (C 14 H 22 O(C 2 H 4 O) n , n = 9–10). For the fixed structures, both etching steps are performed either in 25 wt% TMAH + Triton or pure TMAH or both, depending upon the type of the structures. In the case of freestanding systems, TMAH + Triton is utilized first, followed by pure TMAH. The fabrication methods enable densely arrayed structures, allowing the manufacture of corrugated diaphragms, compact size liquid (or gas) flow delivery systems, newly shaped mold for soft MEMS structures (e.g. PDMS (polydimethylsiloxane)) and other applications. The present research is an approach to fabricate advanced MEMS structures, extending the range of 3D structures fabricated by silicon anisotropic etching

Metallacyclopentadienes: structural features and coordination in transition metal complexes

International Nuclear Information System (INIS)

Dolgushin, Fedor M; Yanovsky, Aleksandr I; Antipin, Mikhail Yu

2004-01-01

Results of structural studies of polynuclear transition metal complexes containing the metallacyclopentadiene fragment are overviewed. The structural features of the complexes in relation to the nature of the substituents in the organic moiety of the metallacycles, the nature of the transition metals and their ligand environment are analysed. The main structural characteristics corresponding to different modes of coordination of metallacyclopentadienes to one or two additional metal centres are revealed.

Jealousy Graphs: Structure and Complexity of Decentralized Stable Matching

Science.gov (United States)

2013-01-01

REPORT Jealousy Graphs: Structure and Complexity of Decentralized Stable Matching 14. ABSTRACT 16. SECURITY CLASSIFICATION OF: The stable matching...Franceschetti 858-822-2284 3. DATES COVERED (From - To) Standard Form 298 (Rev 8/98) Prescribed by ANSI Std. Z39.18 - Jealousy Graphs: Structure and...market. Using this structure, we are able to provide a ner analysis of the complexity of a subclass of decentralized matching markets. Jealousy

Three-dimensional structure of the γ-secretase complex

International Nuclear Information System (INIS)

Ogura, Toshihiko; Mio, Kazuhiro; Hayashi, Ikuo; Miyashita, Hiroyuki; Fukuda, Rie; Kopan, Raphael; Kodama, Tatsuhiko; Hamakubo, Takao; Iwastubo, Takeshi; Tomita, Taisuke; Sato, Chikara

2006-01-01

γ-Secretase belongs to an atypical class of aspartic proteases that hydrolyzes peptide bonds within the transmembrane domain of substrates, including amyloid-β precursor protein and Notch. γ-Secretase is comprised of presenilin, nicastrin, APH-1, and PEN-2 which form a large multimeric membrane protein complex, the three-dimensional structure of which is unknown. To gain insight into the structure of this complex enzyme, we purified functional γ-secretase complex reconstituted in Sf9 cells and analyzed it using negative stain electron microscopy and 3D reconstruction techniques. Analysis of 2341 negatively stained particle images resulted in the three-dimensional representation of γ-secretase at a resolution of 48 A. The structure occupies a volume of 560 x 320 x 240 A and resembles a flat heart comprised of two oppositely faced, dimpled domains. A low density space containing multiple pores resides between the domains. Some of the dimples in the putative transmembrane region may house the catalytic site. The large dimensions are consistent with the observation that γ-secretase activity resides within a high molecular weight complex

The extending lithosphere (Arthur Holmes Medal Lecture)

Science.gov (United States)

Brun, Jean-Pierre

2017-04-01

Extension of the lithosphere gives birth to a wide range of structures, with characteristic widths between 10 and 1000 km, which includes continental rifts, passive margins, oceanic rifts, core complexes, or back-arc basins. Because the rheology of rocks strongly depends on temperature, this variety of extensional structures falls in two broad categories of extending lithospheres according to the initial Moho temperature TM. "Cold extending systems", with TM 750°C and crustal-dominated strength, lead, depending on strain rate, to either wide rifts or metamorphic core complexes. A much less quoted product of extension is the exhumation of high-pressure (HP ) metamorphic rocks occurring in domains of back-arc extension driven by slab rollback (e.g. Aegean; Appennines-Calabrian) or when the subduction upper plate undergoes extension for plate kinematics reasons (e.g. Norwegian Caledonides; Papua New Guinea). In these tectonic environments, well-documented pressure-temperature-time (P - T - t) paths of HP rocks show a two-stage retrogression path whose the first part corresponds to an isothermal large pressure drop ΔP proportional to the maximum pressure Pmax recorded by the rocks. This linear relation between ΔP and Pmax, which likely results from a stress switch between compression and extension at the onset of exhumation, is in fact observed in all HP metamorphism provinces worldwide, suggesting that the exhumation of HP rocks in extension is a general process rather than an uncommon case. In summary, the modes and products of extension are so diverse that, taken all together, they constitute a very versatile natural laboratory to decipher the rheological complexities of the continental lithosphere and their mechanical implications.

Structure of rhenium (5) complexes with petroleum organic sulfur compounds

International Nuclear Information System (INIS)

Akhmadieva, R.G.; Yusupova, N.A.; Numanov, N.U.; Basitova, S.M.

1985-01-01

Structure of Re(5) complexes with petroleum sulfides (L) of ReOCl 3 (L) 2 composition is studied by the UV- and IR-spectroscopy method in a short-wave and long-wave ranges. It is shown that Re(5) complex with L are of the form of flattened octahedron,where three Cl atoms and one L molecule are arranged in the plane around Re atom. The structure is analogous to structure of Re complexes with synthetic cyclic sulfides

Rb-Sr age of the Sivamalai alkaline complex, Tamil Nadu

International Nuclear Information System (INIS)

Subba Rao, T.V.; Narayana, B.L.; Gopalan, K.

1994-01-01

The Sivamalai alkaline complex comprises ferro-, pyroxene- hornblende-and nepheline-syenites. Field relations show that the nepheline syenites followed the emplacement of non-feldspathoidal syenites. Mineralogical data on the syenite suite have been reviewed. The Sivamalai alkaline rocks are not strongly enriched in rare-earth elements like most miaskites. Rb-Sr isotopic analyses of a suite of six samples from the various members of the complex define an isochron corresponding to an age of 623 ± 21 Ma (2σ) and initial Sr ratio of 0.70376 ± 14 (2σ). This is consistent with a model of fractional crystallization of a parent magma derived from an upper mantle source with apparently no isotopic evidence for more than one magma source for the complex. The Sivamalai alkaline complex represents a Pan-African alkaline magmatic event in the southern granulite terrane of peninsular India. (author). 26 refs., 4 figs., 4 tabs

Characterization of measurement errors using structure-from-motion and photogrammetry to measure marine habitat structural complexity.

Science.gov (United States)

Bryson, Mitch; Ferrari, Renata; Figueira, Will; Pizarro, Oscar; Madin, Josh; Williams, Stefan; Byrne, Maria

2017-08-01

Habitat structural complexity is one of the most important factors in determining the makeup of biological communities. Recent advances in structure-from-motion and photogrammetry have resulted in a proliferation of 3D digital representations of habitats from which structural complexity can be measured. Little attention has been paid to quantifying the measurement errors associated with these techniques, including the variability of results under different surveying and environmental conditions. Such errors have the potential to confound studies that compare habitat complexity over space and time. This study evaluated the accuracy, precision, and bias in measurements of marine habitat structural complexity derived from structure-from-motion and photogrammetric measurements using repeated surveys of artificial reefs (with known structure) as well as natural coral reefs. We quantified measurement errors as a function of survey image coverage, actual surface rugosity, and the morphological community composition of the habitat-forming organisms (reef corals). Our results indicated that measurements could be biased by up to 7.5% of the total observed ranges of structural complexity based on the environmental conditions present during any particular survey. Positive relationships were found between measurement errors and actual complexity, and the strength of these relationships was increased when coral morphology and abundance were also used as predictors. The numerous advantages of structure-from-motion and photogrammetry techniques for quantifying and investigating marine habitats will mean that they are likely to replace traditional measurement techniques (e.g., chain-and-tape). To this end, our results have important implications for data collection and the interpretation of measurements when examining changes in habitat complexity using structure-from-motion and photogrammetry.

kepler's dark worlds: A low albedo for an ensemble of Neptunian and Terran exoplanets

Science.gov (United States)

Jansen, Tiffany; Kipping, David

2018-05-01

Photometric phase curves provide an important window onto exoplanetary atmospheres and potentially even their surfaces. With similar amplitudes to occultations but far longer baselines, they have a higher sensitivity to planetary photons at the expense of a more challenging data reduction in terms of long-term stability. In this work, we introduce a novel non-parametric algorithm dubbed phasma to produce clean, robust exoplanet phase curves and apply it to 115 Neptunian and 50 Terran exoplanets observed by kepler. We stack the signals to further improve signal-to-noise, and measure an average Neptunian albedo of Ag greenhouse effect, our work implies that kepler's solid planets are unlikely to resemble cloudy Venusian analogs, but rather dark Mercurian rocks.

On the metamorphic history of an Archaean granitoid greenstone terrane, East Pilbara, Western Australia, using the /sup 40/Ar//sup 39/Ar age spectrum technique

Energy Technology Data Exchange (ETDEWEB)

Wijbrans, J.R.; McDougall, I.

1987-07-01

Age spectrum analyses of blue-green hornblendes from amphibolites from the Western Shaw Belt, East Pilbara, Western Australia, indicate an age of at least 3200 Ma for early regional metamorphism. Ages on hornblende and muscovite from the narrow contact zone with the adjacent Yule Batholith probably data updoming of the granitoid gneiss terranes at 2950 Ma. Hornblendes from within the Shaw Batholith and from a contact zone of a post-tectonic granitoid yield ages of 2840-2900 Ma, indicating either prolonged high temperatures within the granitoid gneiss terranes or a separate thermal pulse associated with the intrusion of post-tectonic granitoids. The preservation of very old hornblendes in a narrow greenstone belt surrounded by massive granitoid gneiss domes indicates that remarkable contrasts in metamorphic geotherms existed over short distances during the Late Archaean, suggesting that updoming occurred during a period of rapid tectonism.

Chemistry and structure of technetium complexes

International Nuclear Information System (INIS)

Baldas, J.; Boas, J.F.; Bonnyman, J.; Williams, G.A.

1983-01-01

The structures of tris(2-aminobenzenethiolato) technetium(VI) and dichlorobis(diethyldithiocarbamato) thionitrosyltechnetium(V) have been determined by single crystal x-ray diffraction analysis. The preparation and chemistry of thiocyanato complexes of technetium have been investigated

Correlation of Crustal Structures and Seismicity Patterns in Northern Appalachians

Science.gov (United States)

Yang, X.; Gao, H.

2017-12-01

The earthquake distributions in northern Appalachians are bounded by major geologically-defined terrane boundaries. There is a distinct seismic gap within Taconic Belt between the Western Quebec Seismic Zone (WQSZ) to the west and the seismically active Ganderia terrane to the east. It is not clear, however, what crustal structures control the characteristics of earthquake clustering in this region. Here we present a newly constructed crustal shear velocity model for the northern Appalachians using Rayleigh wave data extracted from ambient noises. Our tomographic model reveals strongly heterogeneous seismic structures in the crust. We observe multiple NW-dipping patches of high-velocity anomalies in the upper crust beneath the southeastern WQSZ. The upper crust shear velocities in the Ganderia and Avalonia region are generally lower than those beneath the WQSZ. The middle crust has relatively lower velocities in the study area. The earthquakes in the study area are constrained within the upper crust. Most of the earthquake hypocenters within the WQSZ are concentrated along the NW-dipping boundaries separating the high-velocity anomalies. In contrast, most of the earthquake hypocenters in the Ganderia and Avalonia region are diffusely distributed without clear vertical lineaments. The orientations of maximum compressive stresses change from W-E in the Ganderia and Avalonia region to SW-NE in the WQSZ. The contrasts in seismicity, velocity, and stress field across the Taconic Belt indicate that the Taconic Belt terrane may act as a seismically inactive buffer zone in northern Appalachians.

Study of spatially extended dynamical systems using probabilistic cellular automata

International Nuclear Information System (INIS)

Vanag, Vladimir K

1999-01-01

Spatially extended dynamical systems are ubiquitous and include such things as insect and animal populations; complex chemical, technological, and geochemical processes; humanity itself, and much more. It is clearly desirable to have a certain universal tool with which the highly complex behaviour of nonlinear dynamical systems can be analyzed and modelled. For this purpose, cellular automata seem to be good candidates. In the present review, emphasis is placed on the possibilities that various types of probabilistic cellular automata (PCA), such as DSMC (direct simulation Monte Carlo) and LGCA (lattice-gas cellular automata), offer. The methods are primarily designed for modelling spatially extended dynamical systems with inner fluctuations accounted for. For the Willamowskii-Roessler and Oregonator models, PCA applications to the following problems are illustrated: the effect of fluctuations on the dynamics of nonlinear systems; Turing structure formation; the effect of hydrodynamic modes on the behaviour of nonlinear chemical systems (stirring effects); bifurcation changes in the dynamical regimes of complex systems with restricted geometry or low spatial dimension; and the description of chemical systems in microemulsions. (reviews of topical problems)

Integrative structure and functional anatomy of a nuclear pore complex

Science.gov (United States)

Kim, Seung Joong; Fernandez-Martinez, Javier; Nudelman, Ilona; Shi, Yi; Zhang, Wenzhu; Raveh, Barak; Herricks, Thurston; Slaughter, Brian D.; Hogan, Joanna A.; Upla, Paula; Chemmama, Ilan E.; Pellarin, Riccardo; Echeverria, Ignacia; Shivaraju, Manjunatha; Chaudhury, Azraa S.; Wang, Junjie; Williams, Rosemary; Unruh, Jay R.; Greenberg, Charles H.; Jacobs, Erica Y.; Yu, Zhiheng; de La Cruz, M. Jason; Mironska, Roxana; Stokes, David L.; Aitchison, John D.; Jarrold, Martin F.; Gerton, Jennifer L.; Ludtke, Steven J.; Akey, Christopher W.; Chait, Brian T.; Sali, Andrej; Rout, Michael P.

2018-03-01

Nuclear pore complexes play central roles as gatekeepers of RNA and protein transport between the cytoplasm and nucleoplasm. However, their large size and dynamic nature have impeded a full structural and functional elucidation. Here we determined the structure of the entire 552-protein nuclear pore complex of the yeast Saccharomyces cerevisiae at sub-nanometre precision by satisfying a wide range of data relating to the molecular arrangement of its constituents. The nuclear pore complex incorporates sturdy diagonal columns and connector cables attached to these columns, imbuing the structure with strength and flexibility. These cables also tie together all other elements of the nuclear pore complex, including membrane-interacting regions, outer rings and RNA-processing platforms. Inwardly directed anchors create a high density of transport factor-docking Phe-Gly repeats in the central channel, organized into distinct functional units. This integrative structure enables us to rationalize the architecture, transport mechanism and evolutionary origins of the nuclear pore complex.

Integrative structure and functional anatomy of a nuclear pore complex.

Science.gov (United States)

Kim, Seung Joong; Fernandez-Martinez, Javier; Nudelman, Ilona; Shi, Yi; Zhang, Wenzhu; Raveh, Barak; Herricks, Thurston; Slaughter, Brian D; Hogan, Joanna A; Upla, Paula; Chemmama, Ilan E; Pellarin, Riccardo; Echeverria, Ignacia; Shivaraju, Manjunatha; Chaudhury, Azraa S; Wang, Junjie; Williams, Rosemary; Unruh, Jay R; Greenberg, Charles H; Jacobs, Erica Y; Yu, Zhiheng; de la Cruz, M Jason; Mironska, Roxana; Stokes, David L; Aitchison, John D; Jarrold, Martin F; Gerton, Jennifer L; Ludtke, Steven J; Akey, Christopher W; Chait, Brian T; Sali, Andrej; Rout, Michael P

2018-03-22

Nuclear pore complexes play central roles as gatekeepers of RNA and protein transport between the cytoplasm and nucleoplasm. However, their large size and dynamic nature have impeded a full structural and functional elucidation. Here we determined the structure of the entire 552-protein nuclear pore complex of the yeast Saccharomyces cerevisiae at sub-nanometre precision by satisfying a wide range of data relating to the molecular arrangement of its constituents. The nuclear pore complex incorporates sturdy diagonal columns and connector cables attached to these columns, imbuing the structure with strength and flexibility. These cables also tie together all other elements of the nuclear pore complex, including membrane-interacting regions, outer rings and RNA-processing platforms. Inwardly directed anchors create a high density of transport factor-docking Phe-Gly repeats in the central channel, organized into distinct functional units. This integrative structure enables us to rationalize the architecture, transport mechanism and evolutionary origins of the nuclear pore complex.

Complex step-based low-rank extended Kalman filtering for state-parameter estimation in subsurface transport models

KAUST Repository

El Gharamti, Mohamad; Hoteit, Ibrahim

2014-01-01

The accuracy of groundwater flow and transport model predictions highly depends on our knowledge of subsurface physical parameters. Assimilation of contaminant concentration data from shallow dug wells could help improving model behavior, eventually resulting in better forecasts. In this paper, we propose a joint state-parameter estimation scheme which efficiently integrates a low-rank extended Kalman filtering technique, namely the Singular Evolutive Extended Kalman (SEEK) filter, with the prominent complex-step method (CSM). The SEEK filter avoids the prohibitive computational burden of the Extended Kalman filter by updating the forecast along the directions of error growth only, called filter correction directions. CSM is used within the SEEK filter to efficiently compute model derivatives with respect to the state and parameters along the filter correction directions. CSM is derived using complex Taylor expansion and is second order accurate. It is proven to guarantee accurate gradient computations with zero numerical round-off errors, but requires complexifying the numerical code. We perform twin-experiments to test the performance of the CSM-based SEEK for estimating the state and parameters of a subsurface contaminant transport model. We compare the efficiency and the accuracy of the proposed scheme with two standard finite difference-based SEEK filters as well as with the ensemble Kalman filter (EnKF). Assimilation results suggest that the use of the CSM in the context of the SEEK filter may provide up to 80% more accurate solutions when compared to standard finite difference schemes and is competitive with the EnKF, even providing more accurate results in certain situations. We analyze the results based on two different observation strategies. We also discuss the complexification of the numerical code and show that this could be efficiently implemented in the context of subsurface flow models. © 2013 Elsevier B.V.

Complex step-based low-rank extended Kalman filtering for state-parameter estimation in subsurface transport models

KAUST Repository

El Gharamti, Mohamad

2014-02-01

The accuracy of groundwater flow and transport model predictions highly depends on our knowledge of subsurface physical parameters. Assimilation of contaminant concentration data from shallow dug wells could help improving model behavior, eventually resulting in better forecasts. In this paper, we propose a joint state-parameter estimation scheme which efficiently integrates a low-rank extended Kalman filtering technique, namely the Singular Evolutive Extended Kalman (SEEK) filter, with the prominent complex-step method (CSM). The SEEK filter avoids the prohibitive computational burden of the Extended Kalman filter by updating the forecast along the directions of error growth only, called filter correction directions. CSM is used within the SEEK filter to efficiently compute model derivatives with respect to the state and parameters along the filter correction directions. CSM is derived using complex Taylor expansion and is second order accurate. It is proven to guarantee accurate gradient computations with zero numerical round-off errors, but requires complexifying the numerical code. We perform twin-experiments to test the performance of the CSM-based SEEK for estimating the state and parameters of a subsurface contaminant transport model. We compare the efficiency and the accuracy of the proposed scheme with two standard finite difference-based SEEK filters as well as with the ensemble Kalman filter (EnKF). Assimilation results suggest that the use of the CSM in the context of the SEEK filter may provide up to 80% more accurate solutions when compared to standard finite difference schemes and is competitive with the EnKF, even providing more accurate results in certain situations. We analyze the results based on two different observation strategies. We also discuss the complexification of the numerical code and show that this could be efficiently implemented in the context of subsurface flow models. © 2013 Elsevier B.V.

The Structure of The Extended Psychosis Phenotype in Early Adolescence—A Cross-sample Replication

Science.gov (United States)

Wigman, Johanna T. W.; Vollebergh, Wilma A. M.; Raaijmakers, Quinten A. W.; Iedema, Jurjen; van Dorsselaer, Saskia; Ormel, Johan; Verhulst, Frank C.; van Os, Jim

2011-01-01

The extended psychosis phenotype, or the expression of nonclinical positive psychotic experiences, is already prevalent in adolescence and has a dose-response risk relationship with later psychotic disorder. In 2 large adolescent general population samples (n = 5422 and n = 2230), prevalence and structure of the extended psychosis phenotype was investigated. Positive psychotic experiences, broadly defined, were reported by the majority of adolescents. Exploratory analysis with Structural Equation Modelling (Exploratory Factor Analysis followed by Confirmatory Factor Analysis [CFA]) in sample 1 suggested that psychotic experiences were best represented by 5 underlying dimensions; CFA in sample 2 provided a replication of this model. Dimensions were labeled Hallucinations, Delusions, Paranoia, Grandiosity, and Paranormal beliefs. Prevalences differed strongly, Hallucinations having the lowest and Paranoia having the highest rates. Girls reported more experiences on all dimensions, except Grandiosity, and from age 12 to 16 years rates increased. Hallucinations, Delusions, and Paranoia, but not Grandiosity and Paranormal beliefs, were associated with distress and general measures of psychopathology. Thus, only some of the dimensions of the extended psychosis phenotype in young people may represent a continuum with more severe psychopathology and predict later psychiatric disorder. PMID:20044595

Complex-Dynamic Cosmology and Emergent World Structure

OpenAIRE

Kirilyuk, Andrei P.

2004-01-01

Universe structure emerges in the unreduced, complex-dynamic interaction process with the simplest initial configuration (two attracting homogeneous fields, quant-ph/9902015). The unreduced interaction analysis gives intrinsically creative cosmology, describing the real, explicitly emerging world structure with dynamic randomness on each scale. Without imposing any postulates or entities, we obtain physically real space, time, elementary particles with their detailed structure and intrinsic p...

UTE park group and other meso proterozoic units of the Nico Perez terrane: Rodina connecting

International Nuclear Information System (INIS)

Gaucher, C; Chemale, F.; Bossi, J.; Sial, A.; Chiglino, L.

2010-01-01

The Parque UTE Group is a volcano sedimentary succession metamorphosed in green schist facies, comprising (from base to top): the Canada Espinillo Formation (prasinites, pelites, andesite s), the Mina Valencia Formation (dolostones, limestones, marls) and the Cerro del Mast il Formation (black pelites, limestones, acid tuffs). Thickness of the GPU exceeds 2.5 km; base and top are not exposed. U-Pb zircon ages for basic magmatic rocks at the base and rhyolites at the top yielded 1492±4 and 1429±21 Ma, respectively. 13C values of carbonates of the Pug are characterized by a plateau at +1‰ VPDB, bracketed between two negative excursions.These values are consistent with an early Mesoproterozoic depositional age. Detrital zircon age spectra show that the source area of the GPU was the Nico Perez Terrane, being thus native to the Rio de la Plata Craton (Rpc). A Mesoproterozoic tectonic event at 1.25 Ga, recorded at both sides of the Sarandi del Yi mega shear, is discussed. New U-Pb zircon ages are presented for the La China Complex at its type area, where a schistosity N60W cuts the metamorphic banding and is parallel to thrusts dated K-Ar at 1253±32 Ma. The ages obtained are: 3096±45 Ma (main metamorphic event) and 1252 Ma (lower intercept). These data confirm the occurrence of a Grenvillian-aged tectonic event in Uruguay, suggesting that the RPC was part of the super continent Rodinia

The basement of the Punta de Este Terrane: A meso proterozoic heritage at the eastern border of Rio de La Plata craton

International Nuclear Information System (INIS)

Preciozzi, F.; Peel, E.; Sanchez, L.; Basei, M.

2005-01-01

U-Pb zircon ages between 1000 and 900 Ma corresponding to the nuclei of zircon crystals extracted from the basement of the Punta del Este Terrane (Eastern Uruguay) allowed the correlation of the protoliths of this domain with rocks attributed to the Namaqua Belt in Southwestern Africa. SHRIMP ages obtained for the ortho gneissic rocks allowed to place at ca. 750 Ma the generations of gneisses and migmatites. Differently from what occurred in Africa, reworking of this crustal segment during the Brasiliano-Pan african orogenesis was very intense, reaching the granulite facies around 640Ma. Acid volcanic and volcaniclastic rocks (Sierra de Aguirre Formation) with ages around 570 Ma, late sedimentary basins (San Carlos Formation) and post-tectonic granitoids (Santa Teresa and José Ignacio batholith s) mark the end of the events related with the Brasiliano/Pan-African orogenesis. The final collision between the Punta del Este Terrane and the western domains represented by the Dom Feliciano Belt and the Río de La Plata Craton may have occurred at around 535 Ma

Lithospheric structure of southern Indian shield and adjoining oceans: integrated modelling of topography, gravity, geoid and heat flow data

Science.gov (United States)

Kumar, Niraj; Zeyen, H.; Singh, A. P.; Singh, B.

2013-07-01

For the present 2-D lithospheric density modelling, we selected three geotransects of more than 1000 km in length each crossing the southern Indian shield, south of 16°N, in N-S and E-W directions. The model is based on the assumption of local isostatic equilibrium and is constrained by the topography, gravity and geoid anomalies, by geothermal data, and where available by seismic data. Our integrated modelling approach reveals a crustal configuration with the Moho depth varying from ˜40 km beneath the Dharwar Craton, and ˜39 km beneath the Southern Granulite Terrane to about 15-20 km beneath the adjoining oceans. The lithospheric thickness varies significantly along the three profiles from ˜70-100 km under the adjoining oceans to ˜130-135 km under the southern block of Southern Granulite Terrane including Sri Lanka and increasing gradually to ˜165-180 km beneath the northern block of Southern Granulite Terrane and the Dharwar Craton. This step-like lithosphere-asthenosphere boundary (LAB) structure indicates a normal lithospheric thickness beneath the adjoining oceans, the northern block of Southern Granulite Terrane and the Dharwar Craton. The thin lithosphere below the southern block of Southern Granulite Terrane including Sri Lanka is, however, atypical considering its age. Our results suggest that the southern Indian shield as a whole cannot be supported isostatically only by thickened crust; a thin and hot lithosphere beneath the southern block of Southern Granulite Terrane including Sri Lanka is required to explain the high topography, gravity, geoid and crustal temperatures. The widespread thermal perturbation during Pan-African (550 Ma) metamorphism and the breakup of Gondwana during late Cretaceous are proposed as twin cause mechanism for the stretching and/or convective removal of the lower part of lithospheric mantle and its replacement by hotter and lighter asthenosphere in the southern block of Southern Granulite Terrane including Sri Lanka

Paleointensity determination on Neoarchaean dikes within the Vodlozerskii terrane of the Karelian craton

Science.gov (United States)

Shcherbakova, V. V.; Lubnina, N. V.; Shcherbakov, V. P.; Zhidkov, G. V.; Tsel'movich, V. A.

2017-09-01

The results of paleomagnetic studies and paleointensity determinations from two Neoarchaean Shala dikes with an age of 2504 Ma, located within the Vodlozerskii terrane of the Karelian craton, are presented. The characteristic components of primary magnetization with shallow inclinations I = -5.7 and 1.9 are revealed; the reliability of the determinations is supported by two contact tests. High paleointensity values are obtained by the Thellier-Coe and Wilson techniques. The calculated values of the virtual dipole moment (11.5 and 13.8) × 1022 A m2 are noticeably higher than the present value of 7.8 × 1022 A m2. Our results, in combination with the previous data presented in the world database, support the hypothesized existence of a period of high paleointensity in the Late Archaean-Early Proterozoic.

A Novel Biped Pattern Generator Based on Extended ZMP and Extended Cart-Table Model

Directory of Open Access Journals (Sweden)

Guangbin Sun

2015-07-01

Full Text Available This paper focuses on planning patterns for biped walking on complex terrains. Two problems are solved: ZMP (zero moment point cannot be used on uneven terrain, and the conventional cart-table model does not allow vertical CM (centre of mass motion. For the ZMP definition problem, we propose the extended ZMP (EZMP concept as an extension of ZMP to uneven terrains. It can be used to judge dynamic balance on universal terrains. We achieve a deeper insight into the connection and difference between ZMP and EZMP by adding different constraints. For the model problem, we extend the cart-table model by using a dynamic constraint instead of constant height constraint, which results in a mathematically symmetric set of three equations. In this way, the vertical motion is enabled and the resultant equations are still linear. Based on the extended ZMP concept and extended cart-table model, a biped pattern generator using triple preview controllers is constructed and implemented simultaneously to three dimensions. Using the proposed pattern generator, the Atlas robot is simulated. The simulation results show the robot can walk stably on rather complex terrains by accurately tracking extended ZMP.

Solution structure of the human Grb7-SH2 domain/erbB2 peptide complex and structural basis for Grb7 binding to ErbB2

International Nuclear Information System (INIS)

Ivancic, Monika; Daly, Roger J.; Lyons, Barbara A.

2003-01-01

The solution structure of the hGrb7-SH2 domain in complex with a ten amino acid phosphorylated peptide ligand representative of the erbB2 receptor tyrosine kinase (pY1139) is presented as determined by nuclear magnetic resonance methods. The hGrb7-SH2 domain structure reveals the Src homology 2 domain topology consisting of a central β-sheet capped at each end by an α-helix. The presence of a four residue insertion in the region between β-strand E and the EF loop and resulting influences on the SH2 domain/peptide complex structure are discussed. The binding conformation of the erbB2 peptide is in a β-turn similar to that found in phosphorylated tyrosine peptides bound to the Grb2-SH2 domain. To our knowledge this is only the second example of an SH2 domain binding its naturally occurring ligands in a turn, instead of extended, conformation. Close contacts between residues responsible for binding specificity in hGrb7-SH2 and the erbB2 peptide are characterized and the potential effect of mutation of these residues on the hGrb7-SH2 domain structure is discussed

Anisotropy signature in extended images from reverse-time migration

KAUST Repository

Sava, Paul

2012-11-04

Reverse-time migration can accurately image complex geologic structures in anisotropic media. Extended images at selected locations in the earth, i.e. at common-image-point gathers (CIPs), carry enough information to characterize the angle-dependent illumination and to provide measurements for migration velocity analysis. Furthermore, inaccurate anisotropy leaves a distinctive signature in CIPs, which can be used to evaluate anisotropy through techniques similar to the ones used in conventional wavefield tomography.

Anisotropy signature in extended images from reverse-time migration

KAUST Repository

Sava, Paul; Alkhalifah, Tariq Ali

2012-01-01

Reverse-time migration can accurately image complex geologic structures in anisotropic media. Extended images at selected locations in the earth, i.e. at common-image-point gathers (CIPs), carry enough information to characterize the angle-dependent illumination and to provide measurements for migration velocity analysis. Furthermore, inaccurate anisotropy leaves a distinctive signature in CIPs, which can be used to evaluate anisotropy through techniques similar to the ones used in conventional wavefield tomography.

Uranium complexes with macrosyclic polyethers. Synthesis and structural chemical analysis

International Nuclear Information System (INIS)

Elbasyouny, A.

1983-01-01

This dissertation reports about studies on the chemical coordination behaviour of uranium of oxidation stages IV and VI with regard to twelve different macrocyclic ligands. For the preparation of the complexes, for every system a different method has been developed. The elementary analysis of the various complexes including the uranium had been done by X-ray fluorescence analysis, and the structural characterization proceeded via vibrational, uv-vis and emission spectroscopy as well as 1 H-NMR and 13 C-spin-lattice relaxation time studies. Conformational analysis of the polyethers used allowed the structural changes in the complexes to be observed. The structural analysis of the hydrous uranium VI crown ether complexes yielded information of characteristic features of these types of complexes. The first coordination sphere of the uranyl ion with covalently bonded anion remains unchanged. As to the water content, there is a certain range. Depending upon the solvent used, the complexes have two or four H 2 O molecules per formula unit. (orig./EF) [de

Extended Smoluchowski models for interpreting relaxation phenomena in liquids

International Nuclear Information System (INIS)

Polimeno, A.; Frezzato, D.; Saielli, G.; Moro, G.J.; Nordio, P.L.

1998-01-01

Interpretation of the dynamical behaviour of single molecules or collective modes in liquids has been increasingly centered, in the last decade, on complex liquid systems, including ionic solutions, polymeric liquids, supercooled fluids and liquid crystals. This has been made necessary by the need of interpreting dynamical data obtained by advanced experiments, like optical Kerr effect, time dependent fluorescence shift experiments, two-dimensional Fourier-transform and high field electron spin resonance and scattering experiments like quasi-elastic neutron scattering. This communication is centered on the definition, treatment and application of several extended stochastic models, which have proved to be very effective tools for interpreting and rationalizing complex relaxation phenomena in liquids structures. First, applications of standard Fokker-Planck equations for the orientational relaxation of molecules in isotropic and ordered liquid phase are reviewed. In particular attention will be focused on the interpretation of neutron scattering in nematics. Next, an extended stochastic model is used to interpret time-domain resolved fluorescence emission experiments. A two-body stochastic model allows the theoretical interpretation of dynamical Stokes shift effects in fluorescence emission spectra, performed on probes in isotropic and ordered polar phases. Finally, for the case of isotropic fluids made of small rigid molecules, a very detailed model is considered, which includes as basic ingredients a Fokker-Planck description of the molecular vibrational motion and the slow diffusive motion of a persistent cage structure together with the decay processes related to the changing structure of the cage. (author)

Petrogenesis of the Alaskan-type mafic-ultramafic complex in the Makkah quadrangle, western Arabian Shield, Saudi Arabia

Science.gov (United States)

Habtoor, Abdelmonem; Ahmed, Ahmed Hassan; Harbi, Hesham

2016-10-01

The Makkah quadrangle is a part of the Jeddah terrane in the Precambrian basement, Western Arabian Shield of Saudi Arabia. Gabal Taftafan mafic-ultramafic complex lies within the central part of the Makkah quadrangle. The Taftafan mafic-ultramafic complex is a well-differentiated rock association which comprises of dunite core, hornblende- and plagioclase-bearing peridotites, troctolite, clinopyroxenite and marginal gabbro, in a distinctive zonal structure. The bulk-rock geochemistry of the Taftafan mafic-ultramafic rocks is characterized by a tholeiitic/sub-alkaline affinity with high Mg in the ultramafic core (0.84) and is systematically decreased towards the marginal gabbro (0.60). The patterns of trace elements show enrichment in the fluid-mobile elements (Sr, Ba) and a pronounced negative Nb anomaly which reflect a hydrous parental magma generated in a subduction tectonic setting. The mafic-ultramafic rocks of the Taftafan complex have low total rare earth elements (REE) displaying sub-parallel patterns leading to the assumption that these rocks are comagmatic and are formed by fractional crystallization from a common magma type. The platinum-group elements (PGE) content of all rock types in the Taftafan complex is very low, with ∑ PPGE > ∑ IPGE; displaying slightly positive slopes of the PGE distribution patterns. The chemistry of ferromagnesian minerals is characterized by a high forsterite (Fo) olivine with wide range (Fo91-67), from ultramafic core to the marginal gabbro, Ca-rich diopsidic clinopyroxene, and calcic hornblende. Orthopyroxene is almost absent from all rock types, or very rare when present. Hornblende and Ca-plagioclase possess the longest crystallization history since they are present in almost all rock types of the complex. Spinels in the dunite and hornblende-bearing peridotite core show homogeneous composition with intermediate Cr# (0.53-0.67). Plagioclase-bearing peridotite and troctolite have two exsolved types of spinel; Al

Cenozoic mantle composition evolution of southern Tibet indicated by Paleocene ( 64 Ma) pseudoleucite phonolitic rocks in central Lhasa terrane

Science.gov (United States)

Qi, Yue; Gou, Guo-Ning; Wang, Qiang; Wyman, Derek A.; Jiang, Zi-Qi; Li, Qiu-Li; Zhang, Le

2018-03-01

The question of whether continental subduction processes in collisional orogenic belts can trigger wide-spread mantle metesomatism and crustal material recycling remains unresolved. Miocene (25-8 Ma) ultrapotassic rocks in southern Tibet are the only mantle-derived magmatic rocks emplaced after the collision between India and Asia and they have been linked to the onset of east-west extensional stresses as the surface uplift of the Tibetan Plateau reached near-maximum elevation. However, their petrogenesis remains highly controversial, particularly the issue of whether their extremely enriched Sr-Nd isotopic characteristics were related to metasomatism derived from subducted Indian continental materials during the Cenozoic. Here we report on a Paleocene silicate-unsaturated, pseudoleucite phonolitic dike, in the Rongniduo area of central Lhasa terrane. In-situ SIMS (secondary ion mass spectrometry) apatite U-Pb age indicates the dike was generated at 64.1 ± 4.2 Ma, which slightly predates the age of initial India and Asia collision (about 55-50 Ma). This is the oldest age yet reported for ultrapotassic rocks in southern Tibet. Samples from this dike have distinctly more depleted Sr-Nd (whole rock: (87Sr/86Sr)i = 0.7064 to 0.7062, εNd(t) = - 1.5 to 0.4; in situ apitite: (87Sr/86Sr)i = 0.7059 to 0.7060, εNd(t) = - 2.0 to 0.4) isotopic compositions, than those of Miocene (25-8 Ma) ultrapotassic rocks in the central Lhasa terrane ((87Sr/86Sr)i = 0.7106 to 0.7399, εNd(t) = - 10.6 to - 18.5). Our new data provides important constraints on pre-collisional mantle characteristics beneath the Lhasa terrane. We suggest that these 64 Ma pseudoleucite phonolitic rocks were derived from the enriched lithospheric mantle metasomatized by subducted Tethyan oceanic materials in response to Neo-Tethyan slab roll-back. As a consequence, the younger Miocene ultrapotassic rocks, which display different geochemical compositions from the pre-collisional ultrapotassic rocks, were most

Extending the Intermediate Data Structure (IDS for longitudinal historical databases to include geographic data

Directory of Open Access Journals (Sweden)

Finn Hedefalk

2014-09-01

Full Text Available The Intermediate Data Structure (IDS is a standardised database structure for longitudinal historical databases. Such a common structure facilitates data sharing and comparative research. In this study, we propose an extended version of IDS, named IDS-Geo, that also includes geographic data. The geographic data that will be stored in IDS-Geo are primarily buildings and/or property units, and the purpose of these geographic data is mainly to link individuals to places in space. When we want to assign such detailed spatial locations to individuals (in times before there were any detailed house addresses available, we often have to create tailored geographic datasets. In those cases, there are benefits of storing geographic data in the same structure as the demographic data. Moreover, we propose the export of data from IDS-Geo using an eXtensible Markup Language (XML Schema. IDS-Geo is implemented in a case study using historical property units, for the period 1804 to 1913, stored in a geographically extended version of the Scanian Economic Demographic Database (SEDD. To fit into the IDS-Geo data structure, we included an object lifeline representation of all of the property units (based on the snapshot time representation of single historical maps and poll-tax registers. The case study verifies that the IDS-Geo model is capable of handling geographic data that can be linked to demographic data.

3D GIS spatial operation based on extended Euler operators

Science.gov (United States)

Xu, Hongbo; Lu, Guonian; Sheng, Yehua; Zhou, Liangchen; Guo, Fei; Shang, Zuoyan; Wang, Jing

2008-10-01

The implementation of 3 dimensions spatial operations, based on certain data structure, has a lack of universality and is not able to treat with non-manifold cases, at present. ISO/DIS 19107 standard just presents the definition of Boolean operators and set operators for topological relationship query, and OGC GeoXACML gives formal definitions for several set functions without implementation detail. Aiming at these problems, based mathematical foundation on cell complex theory, supported by non-manifold data structure and using relevant research in the field of non-manifold geometry modeling for reference, firstly, this paper according to non-manifold Euler-Poincaré formula constructs 6 extended Euler operators and inverse operators to carry out creating, updating and deleting 3D spatial elements, as well as several pairs of supplementary Euler operators to convenient for implementing advanced functions. Secondly, we change topological element operation sequence of Boolean operation and set operation as well as set functions defined in GeoXACML into combination of extended Euler operators, which separates the upper functions and lower data structure. Lastly, we develop underground 3D GIS prototype system, in which practicability and credibility of extended Euler operators faced to 3D GIS presented by this paper are validated.

Determining Complex Structures using Docking Method with Single Particle Scattering Data

Directory of Open Access Journals (Sweden)

Haiguang Liu

2017-04-01

Full Text Available Protein complexes are critical for many molecular functions. Due to intrinsic flexibility and dynamics of complexes, their structures are more difficult to determine using conventional experimental methods, in contrast to individual subunits. One of the major challenges is the crystallization of protein complexes. Using X-ray free electron lasers (XFELs, it is possible to collect scattering signals from non-crystalline protein complexes, but data interpretation is more difficult because of unknown orientations. Here, we propose a hybrid approach to determine protein complex structures by combining XFEL single particle scattering data with computational docking methods. Using simulations data, we demonstrate that a small set of single particle scattering data collected at random orientations can be used to distinguish the native complex structure from the decoys generated using docking algorithms. The results also indicate that a small set of single particle scattering data is superior to spherically averaged intensity profile in distinguishing complex structures. Given the fact that XFEL experimental data are difficult to acquire and at low abundance, this hybrid approach should find wide applications in data interpretations.

Decentralized identification of nonlinear structure under strong ground motion using the extended Kalman filter and unscented Kalman filter

Science.gov (United States)

Tao, Dongwang; Li, Hui; Ma, Qiang

2016-04-01

Complete structure identification of complicate nonlinear system using extend Kalman filter (EKF) or unscented Kalman filter (UKF) may have the problems of divergence, huge computation and low estimation precision due to the large dimension of the extended state space for the system. In this article, a decentralized identification method of hysteretic system based on the joint EKF and UKF is proposed. The complete structure is divided into linear substructures and nonlinear substructures. The substructures are identified from the top to the bottom. For the linear substructure, EKF is used to identify the extended space including the displacements, velocities, stiffness and damping coefficients of the substructures, using the limited absolute accelerations and the identified interface force above the substructure. Similarly, for the nonlinear substructure, UKF is used to identify the extended space including the displacements, velocities, stiffness, damping coefficients and control parameters for the hysteretic Bouc-Wen model and the force at the interface of substructures. Finally a 10-story shear-type structure with multiple inter-story hysteresis is used for numerical simulation and is identified using the decentralized approach, and the identified results are compared with those using only EKF or UKF for the complete structure identification. The results show that the decentralized approach has the advantage of more stability, relative less computation and higher estimation precision.

Information visualization for the Structural Complexity Management Approach

OpenAIRE

Maurer, Maik;Braun, Thomas;Lindemann, Udo

2017-01-01

The handling of complexity poses an important challenge and a success factor for product design. A considerable percentage of complexity results from dependencies between system elements – as adaptations to single system elements can cause far-reaching consequences. The Structural Complexity Management (SCM) approach provides a five-step procedure that supports users in the identification, acquisition, analysis and optimization of system dependencies. The approach covers the handling of multi...

Structure of a stacked anthraquinone–DNA complex

Science.gov (United States)

De Luchi, Daniela; Usón, Isabel; Wright, Glenford; Gouyette, Catherine; Subirana, Juan A.

2010-01-01

The crystal structure of the telomeric sequence d(UBrAGG) interacting with an anthraquinone derivative has been solved by MAD. In all previously studied complexes of intercalating drugs, the drug is usually sandwiched between two DNA base pairs. Instead, the present structure looks like a crystal of stacked anthraquinone molecules in which isolated base pairs are intercalated. Unusual base pairs are present in the structure, such as G·G and A·UBr reverse Watson–Crick base pairs. PMID:20823516

Conservation and Divergence in the Candida Species Biofilm Matrix Mannan-Glucan Complex Structure, Function, and Genetic Control.

Science.gov (United States)

Dominguez, Eddie; Zarnowski, Robert; Sanchez, Hiram; Covelli, Antonio S; Westler, William M; Azadi, Parastoo; Nett, Jeniel; Mitchell, Aaron P; Andes, David R

2018-04-03

Candida biofilms resist the effects of available antifungal therapies. Prior studies with Candida albicans biofilms show that an extracellular matrix mannan-glucan complex (MGCx) contributes to antifungal sequestration, leading to drug resistance. Here we implement biochemical, pharmacological, and genetic approaches to explore a similar mechanism of resistance for the three most common clinically encountered non- albicans Candida species (NAC). Our findings reveal that each Candida species biofilm synthesizes a mannan-glucan complex and that the antifungal-protective function of this complex is conserved. Structural similarities extended primarily to the polysaccharide backbone (α-1,6-mannan and β-1,6-glucan). Surprisingly, biochemical analysis uncovered stark differences in the branching side chains of the MGCx among the species. Consistent with the structural analysis, similarities in the genetic control of MGCx production for each Candida species also appeared limited to the synthesis of the polysaccharide backbone. Each species appears to employ a unique subset of modification enzymes for MGCx synthesis, likely accounting for the observed side chain diversity. Our results argue for the conservation of matrix function among Candida spp. While biogenesis is preserved at the level of the mannan-glucan complex backbone, divergence emerges for construction of branching side chains. Thus, the MGCx backbone represents an ideal drug target for effective pan- Candida species biofilm therapy. IMPORTANCE Candida species, the most common fungal pathogens, frequently grow as a biofilm. These adherent communities tolerate extremely high concentrations of antifungal agents, due in large part, to a protective extracellular matrix. The present studies define the structural, functional, and genetic similarities and differences in the biofilm matrix from the four most common Candida species. Each species synthesizes an extracellular mannan-glucan complex (MGCx) which

Structural characterization of complex O-linked glycans from insect-derived material.

Science.gov (United States)

Garenaux, Estelle; Maes, Emmanuel; Levêque, S; Brassart, Colette; Guerardel, Yann

2011-07-01

Although insects are among the most diverse groups of the animal kingdom and may be found in nearly all environments, one can observe an obvious lack of structural data on their glycosylation ability. Hymenoptera is the second largest of all insect orders with more than 110,000 identified species and includes the most famous examples of social insects' species such as wasps, bees and ants. In this report, the structural variety of O-glycans has been studied in two Hymenoptera species. In a previous study, we showed that major O-glycans from common wasp (Vespula germanica) salivary mucins correspond to T and Tn antigen, eventually substituted by phosphoethanolamine or phosphate groups. More detailed structural analysis performed by mass spectrometry revealed numerous minor O-glycan structures bearing Gal, GlcNAc, GalNAc and Fuc residues. Thus, in order to investigate glycosylation diversity in insects, we used common wasp nest (V. germanica) and hornet nest (Vespa cabro) as starting materials. These materials were submitted to reductive β-elimination and the released oligosaccharide-alditols further fractionated by multidimensional HPLC. Tandem mass spectrometry analyses combined with NMR data revealed the presence of various families of complex O-glycans differing accordingly to both core structures and external motifs. Glycans from wasp were characterized by the presence of core types 1 and 2, Lewis X and internal Gal-Gal motifs. We also observed unusual O-glycans containing a reducing GalNAc unit directly substituted by a fucose residue. In contrast, hornet O-glycans appeared as a rather homogeneous family of core 1 type O-glycans extended by galactose oligomers. Copyright © 2011 Elsevier Ltd. All rights reserved.

Metal-organic extended 2D structures: Fe-PTCDA on Au(111)

International Nuclear Information System (INIS)

Alvarez, Lucia; Caillard, Renaud; MartIn-Gago, Jose A; Mendez, Javier; Pelaez, Samuel; Serena, Pedro A

2010-01-01

In this work we combine organic molecules of 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) with iron atoms on an Au (111) substrate in ultra-high vacuum conditions at different temperatures. By means of scanning tunnelling microscopy (STM) we study the formation of stable 2D metal-organic structures. We show that at certain growth conditions (temperature, time and coverage) stable 'ladder-like' nanostructures are obtained. These are the result of connecting together two metal-organic chains through PTCDA molecules placed perpendicularly, as rungs of a ladder. These structures, stable up to 450 K, can be extended in a 2D layer covering the entire surface and presenting different rotation domains. STM images at both polarities show a contrast reversal between the two molecules at the unit cell. By means of density functional theory (DFT) calculations, we confirm the stability of these structures and that their molecular orbitals are placed separately at the different molecules.

Late Triassic Porphyritic Intrusions And Associated Volcanic Rocks From The Shangri-La Region, Yidun Terrane, Eastern Tibetan Plateau: Implications For Adakitic Magmatism And Porphyry Copper Mineralization

Science.gov (United States)

Wang, B.; Zhou, M.; Li, J.; Yan, D.

2011-12-01

The Yidun terrane, located on the eastern margin of the Tibetan plateau, has been commonly considered to be a Triassic volcanic arc produced by subduction of the Ganzi-Litang oceanic lithosphere. The Yidun terrane is characterized by numerous arc-affinity granitic intrusions located along a 500-km-long, north-south-trending belt. Among these granitic bodies, several small porphyritic intrusions in the southern segment of the terrane (Shangri-La region) are associated with large porphyry copper deposits. These porphyritc intrusions are composed of diorite and quartz diorite, and spatially associated with andesites and dacites. LA-ICP-MS zircon U-Pb ages of the intrusions range from 230 to 215 Ma. The andesites and dacites are intercalated with slates and sandstones and have ages of around 220 Ma. The intrusive and volcanic rocks have SiO2 contents from 56.6 to 67.1 wt.%, Al2O3 from 14.2 to 17.4 wt.% and MgO from 1.9 to 4.2 wt.%. They show significant negative Nb-Ta anomalies on primitive mantle-normalized spidergrams. They have high La/Yb (13-49) ratios with no prominent Eu anomalies. All the rocks have high Sr (258-1980 ppm), and low Y (13-21 ppm) with high Sr/Y ratios (29-102). The geochemical features indicate that both the volcanic rocks and porphyritic intrusions were derived from adakitic magmas. They have similar initial 87Sr/86Sr ratios (0.7058 to 0.7077) and ɛNd (-1.88 to -4.93) values, but can be further divided into two groups: high silica (HSA) and low silica adakitic rocks (LSA). The HSA, representing an early stage of magmatism (230 to 215 Ma), were derived from oceanic slab melts with limited interaction with the overlying mantle wedge. At 215 Ma, more extensive interaction resulted in the formation of LSA. We propose that HSA were produced by flat subduction leading to melting of oceanic slab, whereas subsequent slab break-off caused the significant interaction between slab melts and the mantle wedge and thus the generation of the LSA. Compared with

Extended X-ray absorption fine structure (EXAFS) studies of supported catalysts

International Nuclear Information System (INIS)

Joyner, R.W.

1979-01-01

Since the rebirth of interest in extended X-ray absorption fine structure there have been several studies of systems of catalytic interest. This note is a preliminary account of an investigation of supported platinum catalysts and NiO/Al 2 O 3 catalysts. Experiments were performed on pressed disc samples at the DESY synchrotron, Hamburg, using the EXAFS spectrometer. The synchrotron operated at 7 GeV energy with a circulating current of approximately 4 mA; spectrum accumulation time was typically 45 minutes. (author)

Solving complex band structure problems with the FEAST eigenvalue algorithm

Science.gov (United States)

Laux, S. E.

2012-08-01

With straightforward extension, the FEAST eigenvalue algorithm [Polizzi, Phys. Rev. B 79, 115112 (2009)] is capable of solving the generalized eigenvalue problems representing traveling-wave problems—as exemplified by the complex band-structure problem—even though the matrices involved are complex, non-Hermitian, and singular, and hence outside the originally stated range of applicability of the algorithm. The obtained eigenvalues/eigenvectors, however, contain spurious solutions which must be detected and removed. The efficiency and parallel structure of the original algorithm are unaltered. The complex band structures of Si layers of varying thicknesses and InAs nanowires of varying radii are computed as test problems.

The extended evolutionary synthesis: its structure, assumptions and predictions

Science.gov (United States)

Laland, Kevin N.; Uller, Tobias; Feldman, Marcus W.; Sterelny, Kim; Müller, Gerd B.; Moczek, Armin; Jablonka, Eva; Odling-Smee, John

2015-01-01

Scientific activities take place within the structured sets of ideas and assumptions that define a field and its practices. The conceptual framework of evolutionary biology emerged with the Modern Synthesis in the early twentieth century and has since expanded into a highly successful research program to explore the processes of diversification and adaptation. Nonetheless, the ability of that framework satisfactorily to accommodate the rapid advances in developmental biology, genomics and ecology has been questioned. We review some of these arguments, focusing on literatures (evo-devo, developmental plasticity, inclusive inheritance and niche construction) whose implications for evolution can be interpreted in two ways—one that preserves the internal structure of contemporary evolutionary theory and one that points towards an alternative conceptual framework. The latter, which we label the ‘extended evolutionary synthesis' (EES), retains the fundaments of evolutionary theory, but differs in its emphasis on the role of constructive processes in development and evolution, and reciprocal portrayals of causation. In the EES, developmental processes, operating through developmental bias, inclusive inheritance and niche construction, share responsibility for the direction and rate of evolution, the origin of character variation and organism–environment complementarity. We spell out the structure, core assumptions and novel predictions of the EES, and show how it can be deployed to stimulate and advance research in those fields that study or use evolutionary biology. PMID:26246559

Coupled and extended quintessence: Theoretical differences and structure formation

International Nuclear Information System (INIS)

Pettorino, Valeria; Baccigalupi, Carlo

2008-01-01

The case of a coupling between dark energy and matter [coupled quintessence (CQ)] or gravity [extended quintessence (EQ)] has recently attracted a deep interest and has been widely investigated both in the Einstein and in the Jordan frames (EF, JF), within scalar-tensor theories. Focusing on the simplest models proposed so far, in this paper we study the relation existing between the two scenarios, isolating the Weyl scaling which allows one to express them in the EF and JF. Moreover, we perform a comparative study of the behavior of linear perturbations in both scenarios, which turn out to behave in a markedly different way. In particular, while the clustering is enhanced in the considered CQ models with respect to the corresponding quintessence ones where the coupling is absent and to the ordinary cosmologies with a cosmological constant and cold dark matter (ΛCDM), structures in EQ models may grow slower. This is likely to have direct consequences on the inner properties of nonlinear structures, like cluster concentration, as well as on the weak lensing shear on large scales. Finally, we specialize our study for interfacing linear dynamics and N-body simulations in these cosmologies, giving a recipe for the corrections to be included in N-body codes in order to take into account the modifications to the expansion rate, growth of structures, and strength of gravity

Designing complex systems - a structured activity

NARCIS (Netherlands)

van der Veer, Gerrit C.; van Vliet, Johannes C.; Lenting, Bert; Olson, Gary M.; Schuon, Sue

1995-01-01

This paper concerns the development of complex systems from the point of view of design as a structure of activities, related both to the clients and the users. Several modeling approaches will be adopted for different aspects of design, and several views on design will be integrated. The proposed

Complexity-aware high efficiency video coding

CERN Document Server

Correa, Guilherme; Agostini, Luciano; Cruz, Luis A da Silva

2016-01-01

This book discusses computational complexity of High Efficiency Video Coding (HEVC) encoders with coverage extending from the analysis of HEVC compression efficiency and computational complexity to the reduction and scaling of its encoding complexity. After an introduction to the topic and a review of the state-of-the-art research in the field, the authors provide a detailed analysis of the HEVC encoding tools compression efficiency and computational complexity.  Readers will benefit from a set of algorithms for scaling the computational complexity of HEVC encoders, all of which take advantage from the flexibility of the frame partitioning structures allowed by the standard.  The authors also provide a set of early termination methods based on data mining and machine learning techniques, which are able to reduce the computational complexity required to find the best frame partitioning structures. The applicability of the proposed methods is finally exemplified with an encoding time control system that emplo...

Extended x-ray absorption fine structure: Studies of zinc-neutralized sulfonated polystyrene ionomers

International Nuclear Information System (INIS)

Ding, Y.S.; Yarusso, D.J.; Pan, H.K.D.; Cooper, S.L.

1984-01-01

Extended x-ray absorption fine structure (EXAFS) measurements were performed on a series of zinc-neutralized sulfonated polystyrene ionomers and the local structure around the zinc atom was determined. An interference effect in the EXAFS signal between sulfur and oxygen atoms was found to be significant in these materials. A model for the local structure in the zinc-neutralized sulfonated polystyrene ionomers is proposed which suggests a highly ordered tetrahedral coordination of oxygen around the zinc atoms at a distance of 1.97 +- 0.02 A. In addition there are four sulfur atoms and four oxygen atoms at a distance of 3.15 +- 0.05 A. No zinc-zinc coordination within 5 A was detected in this study

The evolution of cerebellum structure correlates with nest complexity.

Science.gov (United States)

Hall, Zachary J; Street, Sally E; Healy, Susan D

2013-01-01

Across the brains of different bird species, the cerebellum varies greatly in the amount of surface folding (foliation). The degree of cerebellar foliation is thought to correlate positively with the processing capacity of the cerebellum, supporting complex motor abilities, particularly manipulative skills. Here, we tested this hypothesis by investigating the relationship between cerebellar foliation and species-typical nest structure in birds. Increasing complexity of nest structure is a measure of a bird's ability to manipulate nesting material into the required shape. Consistent with our hypothesis, avian cerebellar foliation increases as the complexity of the nest built increases, setting the scene for the exploration of nest building at the neural level.

Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex

Energy Technology Data Exchange (ETDEWEB)

Ghosh, Arun K.; Brindisi, Margherita; Nyalapatla, Prasanth R.; Takayama, Jun; Ella-Menye, Jean-Rene; Yashchuk, Sofiya; Agniswamy, Johnson; Wang, Yuan-Fang; Aoki, Manabu; Amano, Masayuki; Weber, Irene T.; Mitsuya, Hiroaki

2017-10-01

Based upon molecular insights from the X-ray structures of inhibitor-bound HIV-1 protease complexes, we have designed a series of isophthalamide-derived inhibitors incorporating substituted pyrrolidines, piperidines and thiazolidines as P2-P3 ligands for specific interactions in the S2-S3 extended site. Compound 4b has shown an enzyme Ki of 0.025 nM and antiviral IC50 of 69 nM. An X-ray crystal structure of inhibitor 4b-HIV-1 protease complex was determined at 1.33 Å resolution. We have also determined X-ray structure of 3b-bound HIV-1 protease at 1.27 Å resolution. These structures revealed important molecular insight into the inhibitor–HIV-1 protease interactions in the active site.

Three-dimensional structure of a pre-catalytic human spliceosomal complex B.

Science.gov (United States)

Boehringer, Daniel; Makarov, Evgeny M; Sander, Bjoern; Makarova, Olga V; Kastner, Berthold; Lührmann, Reinhard; Stark, Holger

2004-05-01

Major structural changes occur in the spliceosome during its transition from the fully assembled complex B to the catalytically activated spliceosome. To understand the rearrangement, it is necessary to know the detailed three-dimensional structures of these complexes. Here, we have immunoaffinity-purified human spliceosomes (designated B Delta U1) at a stage after U4/U6.U5 tri-snRNP integration but before activation, and have determined the three-dimensional structure of B Delta U1 by single-particle electron cryomicroscopy at a resolution of approximately 40 A. The overall size of the complex is about 370 x 270 x 170 A. The three-dimensional structure features a roughly triangular body linked to a head domain in variable orientations. The body is very similar in size and shape to the isolated U4/U6.U5 tri-snRNP. This provides initial insight into the structural organization of complex B.

Arsenic complexes optical signatures in As-doped HgCdTe

Energy Technology Data Exchange (ETDEWEB)

Gemain, F.; Robin, I. C.; Brochen, S.; Ballet, P.; Gravrand, O.; Feuillet, G. [CEA-LETI Minatec Campus, 17 rue des Martyrs, 38000 Grenoble (France)

2013-04-08

In this paper, the optical signatures of arsenic complexes in As-doped HgCdTe samples grown by molecular beam epitaxy are clearly identified using comparison between photoluminescence spectra, Extended X-Ray Absorption Fine Structure, and Hall measurements. The ionization energies of the different complexes are measured both by photoluminescence and Hall measurements.

Arsenic complexes optical signatures in As-doped HgCdTe

International Nuclear Information System (INIS)

Gemain, F.; Robin, I. C.; Brochen, S.; Ballet, P.; Gravrand, O.; Feuillet, G.

2013-01-01

In this paper, the optical signatures of arsenic complexes in As-doped HgCdTe samples grown by molecular beam epitaxy are clearly identified using comparison between photoluminescence spectra, Extended X-Ray Absorption Fine Structure, and Hall measurements. The ionization energies of the different complexes are measured both by photoluminescence and Hall measurements.

RNACompress: Grammar-based compression and informational complexity measurement of RNA secondary structure

Directory of Open Access Journals (Sweden)

Chen Chun

2008-03-01

Full Text Available Abstract Background With the rapid emergence of RNA databases and newly identified non-coding RNAs, an efficient compression algorithm for RNA sequence and structural information is needed for the storage and analysis of such data. Although several algorithms for compressing DNA sequences have been proposed, none of them are suitable for the compression of RNA sequences with their secondary structures simultaneously. This kind of compression not only facilitates the maintenance of RNA data, but also supplies a novel way to measure the informational complexity of RNA structural data, raising the possibility of studying the relationship between the functional activities of RNA structures and their complexities, as well as various structural properties of RNA based on compression. Results RNACompress employs an efficient grammar-based model to compress RNA sequences and their secondary structures. The main goals of this algorithm are two fold: (1 present a robust and effective way for RNA structural data compression; (2 design a suitable model to represent RNA secondary structure as well as derive the informational complexity of the structural data based on compression. Our extensive tests have shown that RNACompress achieves a universally better compression ratio compared with other sequence-specific or common text-specific compression algorithms, such as Gencompress, winrar and gzip. Moreover, a test of the activities of distinct GTP-binding RNAs (aptamers compared with their structural complexity shows that our defined informational complexity can be used to describe how complexity varies with activity. These results lead to an objective means of comparing the functional properties of heteropolymers from the information perspective. Conclusion A universal algorithm for the compression of RNA secondary structure as well as the evaluation of its informational complexity is discussed in this paper. We have developed RNACompress, as a useful tool

Vulnerability of coral reef fisheries to a loss of structural complexity.

Science.gov (United States)

Rogers, Alice; Blanchard, Julia L; Mumby, Peter J

2014-05-05

Coral reefs face a diverse array of threats, from eutrophication and overfishing to climate change. As live corals are lost and their skeletons eroded, the structural complexity of reefs declines. This may have important consequences for the survival and growth of reef fish because complex habitats mediate predator-prey interactions [1, 2] and influence competition [3-5] through the provision of prey refugia. A positive correlation exists between structural complexity and reef fish abundance and diversity in both temperate and tropical ecosystems [6-10]. However, it is not clear how the diversity of available refugia interacts with individual predator-prey relationships to explain emergent properties at the community scale. Furthermore, we do not yet have the ability to predict how habitat loss might affect the productivity of whole reef communities and the fisheries they support. Using data from an unfished reserve in The Bahamas, we find that structural complexity is associated not only with increased fish biomass and abundance, but also with nonlinearities in the size spectra of fish, implying disproportionately high abundances of certain size classes. By developing a size spectrum food web model that links the vulnerability of prey to predation with the structural complexity of a reef, we show that these nonlinearities can be explained by size-structured prey refugia that reduce mortality rates and alter growth rates in different parts of the size spectrum. Fitting the model with data from a structurally complex habitat, we predict that a loss of complexity could cause more than a 3-fold reduction in fishery productivity. Copyright © 2014 Elsevier Ltd. All rights reserved.

Lanthanide complexes of macrocyclic polyoxovanadates by VO4 units: synthesis, characterization, and structure elucidation by X-ray crystallography and EXAFS spectroscopy.

Science.gov (United States)

Nishio, Masaki; Inami, Shinnosuke; Katayama, Misaki; Ozutsumi, Kazuhiko; Hayashi, Yoshihito

2012-01-16

Reactions of a tetravanadate anion, [V(4)O(12)](4-), with a series of lanthanide(III) salts yield three types of lanthanide complexes of macrocyclic polyoxovanadates: (Et(4)N)(6)[Ln(III)V(9)O(27)] [Ln = Nd (1), Sm (2), Eu (3), Gd (4), Tb (5), Dy (6)], (Et(4)N)(5)[(H(2)O)Ho(III)(V(4)O(12))(2)] (7), and (Et(4)N)(7)[Ln(III)V(10)O(30)] [Ln = Er (8), Tm (9), Yb (10), Lu (11)]. Lanthanide complexes 1-11 are isolated and characterized by IR, elemental analysis, single-crystal X-ray diffraction, and extended X-ray absorption fine structure spectroscopy (EXAFS). Lanthanide complexes 1-6 are composed of a square-antiprism eight-coordinated Ln(III) center with a macrocyclic polyoxovanadate that is constructed from nine VO(4) tetrahedra through vertex sharing. The structure of 7 is composed of a seven-coordinated Ho(III) center, which exhibits a capped trigonal-prism coordination environment by the sandwiching of two cyclic tetravanadates with a capping H(2)O ligand. Lanthanide complexes 8-11 have a six-coordinated Ln(III) center with a 10-membered vanadate ligand. The structural trend to adopt a larger coordination number for a larger lanthanide ion among the three types of structures is accompanied by a change in the vanadate ring sizes. These lanthanide complexes are examined by EXAFS spectroscopies on lanthanide L(III) absorption edges, and the EXAFS oscillations of each of the samples in the solid state and in acetonitrile are identical. The Ln-O and Ln···V bond lengths obtained from fits of the EXAFS data are consistent with the data from the single-crystal X-ray studies, reflecting retention of the structures in acetonitrile.

Structural insights into SUN-KASH complexes across the nuclear envelope

Institute of Scientific and Technical Information of China (English)

Wenjia Wang; Zhaocai Zhou; Zhubing Shi; Shi Jiao; Cuicui Chen; Huizhen Wang; Guoguang Liu; Qiang Wang; Yun Zhao; Mark I Greene

2012-01-01

Linker of the nucleoskeleton and the cytoskeleton (LINC) complexes are composed of SUN and KASH domaincontaining proteins and bridge the inner and outer membranes of the nuclear envelope.LINC complexes play critical roles in nuclear positioning,cell polarization and cellular stiffness.Previously,we reported the homotrimeric structure of human SUN2.We have now determined the crystal structure of the human SUN2-KASH complex.In the complex structure,the SUN domain homotrimer binds to three independent "hook"-like KASH peptides.The overall conformation of the SUN domain in the complex closely resembles the SUN domain in its apo state.A major conformational change involves the AA'-loop of KASH-bound SUN domain,which rearranges to form a mini β-sheet that interacts with the KASH peptide.The PPPT motif of the KASH domain fits tightly into a hydrophobic pocket on the homotrimeric interface of the SUN domain,which we termed the BI-pocket.Moreover,two adjacent protomers of the SUN domain homotrimer sandwich the KASH domain by hydrophobic interaction and hydrogen bonding.Mutations of these binding sites disrupt or reduce the association between the SUN and KASH domains in vitro.In addition,transfection of wild-type,but not mutant,SUN2 promotes cell migration in Ovcar-3 cells.These results provide a structural model of the LINC complex,which is essential for additional study of the physical and functional coupling between the cytoplasm and the nucleoplasm.

Survey of large protein complexes D. vulgaris reveals great structural diversity

Energy Technology Data Exchange (ETDEWEB)

Han, B.-G.; Dong, M.; Liu, H.; Camp, L.; Geller, J.; Singer, M.; Hazen, T. C.; Choi, M.; Witkowska, H. E.; Ball, D. A.; Typke, D.; Downing, K. H.; Shatsky, M.; Brenner, S. E.; Chandonia, J.-M.; Biggin, M. D.; Glaeser, R. M.

2009-08-15

An unbiased survey has been made of the stable, most abundant multi-protein complexes in Desulfovibrio vulgaris Hildenborough (DvH) that are larger than Mr {approx} 400 k. The quaternary structures for 8 of the 16 complexes purified during this work were determined by single-particle reconstruction of negatively stained specimens, a success rate {approx}10 times greater than that of previous 'proteomic' screens. In addition, the subunit compositions and stoichiometries of the remaining complexes were determined by biochemical methods. Our data show that the structures of only two of these large complexes, out of the 13 in this set that have recognizable functions, can be modeled with confidence based on the structures of known homologs. These results indicate that there is significantly greater variability in the way that homologous prokaryotic macromolecular complexes are assembled than has generally been appreciated. As a consequence, we suggest that relying solely on previously determined quaternary structures for homologous proteins may not be sufficient to properly understand their role in another cell of interest.

Extending the NIF DISCO framework to automate complex workflow: coordinating the harvest and integration of data from diverse neuroscience information resources.

Science.gov (United States)

Marenco, Luis N; Wang, Rixin; Bandrowski, Anita E; Grethe, Jeffrey S; Shepherd, Gordon M; Miller, Perry L

2014-01-01

This paper describes how DISCO, the data aggregator that supports the Neuroscience Information Framework (NIF), has been extended to play a central role in automating the complex workflow required to support and coordinate the NIF's data integration capabilities. The NIF is an NIH Neuroscience Blueprint initiative designed to help researchers access the wealth of data related to the neurosciences available via the Internet. A central component is the NIF Federation, a searchable database that currently contains data from 231 data and information resources regularly harvested, updated, and warehoused in the DISCO system. In the past several years, DISCO has greatly extended its functionality and has evolved to play a central role in automating the complex, ongoing process of harvesting, validating, integrating, and displaying neuroscience data from a growing set of participating resources. This paper provides an overview of DISCO's current capabilities and discusses a number of the challenges and future directions related to the process of coordinating the integration of neuroscience data within the NIF Federation.

Structural and Kinetic Evidence for an Extended Hydrogen-Bonding Network in Catalysis of Methyl Group Transfer

International Nuclear Information System (INIS)

Doukov, T.; Hemmi, H.; Drennan, C.; Ragsdale, S.

2007-01-01

The methyltetrahydrofolate (CH 3 -H 4 folate) corrinoid-ironsulfur protein (CFeSP) methyltransferase (MeTr) catalyzes transfer of the methyl group of CH3-H4folate to cob(I)amide. This key step in anaerobic CO and CO 2 fixation is similar to the first half-reaction in the mechanisms of other cobalamin-dependent methyltransferases. Methyl transfer requires electrophilic activation of the methyl group of CH 3 -H 4 folate, which includes proton transfer to the N5 group of the pterin ring and poises the methyl group for reaction with the Co(I) nucleophile. The structure of the binary CH 3 -H 4 folate/MeTr complex (revealed here) lacks any obvious proton donor near the N5 group. Instead, an Asn residue and water molecules are found within H-bonding distance of N5. Structural and kinetic experiments described here are consistent with the involvement of an extended H-bonding network in proton transfer to N5 of the folate that includes an Asn (Asn-199 in MeTr), a conserved Asp (Asp-160), and a water molecule. This situation is reminiscent of purine nucleoside phosphorylase, which involves protonation of the purine N7 in the transition state and is accomplished by an extended H-bond network that includes water molecules, a Glu residue, and an Asn residue (Kicska, G. A., Tyler, P. C., Evans, G. B., Furneaux, R. H., Shi, W., Fedorov, A., Lewandowicz, A., Cahill, S. M., Almo, S. C., and Schramm, V. L. (2002) Biochemistry 41, 14489-14498). In MeTr, the Asn residue swings from a distant position to within H-bonding distance of the N5 atom upon CH 3 -H 4 folate binding. An N199A variant exhibits only ∼20-fold weakened affinity for CH 3 -H 4 folate but a much more marked 20,000-40,000-fold effect on catalysis, suggesting that Asn-199 plays an important role in stabilizing a transition state or high energy intermediate for methyl transfer

NMR study of structure of lanthanide complexes in solution

International Nuclear Information System (INIS)

Choppin, G.R.

1976-01-01

The diagnostic value PMR studies of diamagnetic lanthanide complexes to define the nature of the species in the lanthanide-pyruvate system is discussed. The use of NMR spectra of both diamagnetic and paramagnetic lanthanide complexes to obtain detailed structural information is reviewed

Identifying three-dimensional structures of autophosphorylation complexes in crystals of protein kinases

Science.gov (United States)

Xu, Qifang; Malecka, Kimberly L.; Fink, Lauren; Jordan, E. Joseph; Duffy, Erin; Kolander, Samuel; Peterson, Jeffrey; Dunbrack, Roland L.

2016-01-01

Protein kinase autophosphorylation is a common regulatory mechanism in cell signaling pathways. Crystal structures of several homomeric protein kinase complexes have a serine, threonine, or tyrosine autophosphorylation site of one kinase monomer located in the active site of another monomer, a structural complex that we call an “autophosphorylation complex.” We developed and applied a structural bioinformatics method to identify all such autophosphorylation kinase complexes in X-ray crystallographic structures in the Protein Data Bank (PDB). We identified 15 autophosphorylation complexes in the PDB, of which 5 complexes had not previously been described in the publications describing the crystal structures. These 5 consist of tyrosine residues in the N-terminal juxtamembrane regions of colony stimulating factor 1 receptor (CSF1R, Tyr561) and EPH receptor A2 (EPHA2, Tyr594), tyrosine residues in the activation loops of the SRC kinase family member LCK (Tyr394) and insulin-like growth factor 1 receptor (IGF1R, Tyr1166), and a serine in a nuclear localization signal region of CDC-like kinase 2 (CLK2, Ser142). Mutations in the complex interface may alter autophosphorylation activity and contribute to disease; therefore we mutated residues in the autophosphorylation complex interface of LCK and found that two mutations impaired autophosphorylation (T445V and N446A) and mutation of Pro447 to Ala, Gly, or Leu increased autophosphorylation. The identified autophosphorylation sites are conserved in many kinases, suggesting that, by homology, these complexes may provide insight into autophosphorylation complex interfaces of kinases that are relevant drug targets. PMID:26628682

5 K extended X-ray absorption fine structure and 40 K 10-s resolved extended X-ray absorption fine structure studies of photolyzed carboxymyoglobin

International Nuclear Information System (INIS)

Teng, T.Y.; Huang, H.W.; Olah, G.A.

1987-01-01

A previous extended X-ray absorption fine structure (EXAFS) study of photolyzed carboxymyoglobin (MbCO) has provoked much discussion on the heme structure of the photoproduct (Mb*CO). The EXAFS interpretation that the Fe-Co distance increases by no more than 0.05 A following photodissociation has been regarded as inconsistent with optical, infrared, and magnetic susceptibility studies. The present experiment was performed with well-characterized dry film samples in which MbCO molecules were embedded in a poly(vinyl alcohol) matrix. The sample had a high protein concentration (12 mM) to yield adequate EXAFS signals but was very thin (40 μm) so that complete photolysis could be easily achieved by a single flash from a xenon lamp. Although the electronic state of Mb*CO resembles that of deoxymyoglobin (deoxy-Mb), direct comparison of EXAFS spectra indicates that structurally Mb*CO is much closer to MbCO than to deoxy-Mb. Our EXAFS analysis shows that photolysis of MbCO at 5 K leads to a stable intermediate state in which CO has moved away from iron by a distance of 0.27-0.45 A, but the 5-coordinate heme structure is strained in a form similar to that of MbCO; the resolution of the CO position depends on the structure parameters of MbCO which we use as a reference for the analysis of Mb*CO. At 40 K, from 1 to 10 s after photolysis, 42% of the photoproduct has relaxed to the ground state, and the EXAFS spectrum of the remaining photoproduct is indistinguishable from that of the 5 K photoproduct

Theoretical Studies on the Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials

Energy Technology Data Exchange (ETDEWEB)

Ching, Wai-Yim

2012-01-14

This project is a continuation of a long program supported by the Office of Basic Energy Science in the Office of Science of DOE for many years. The final three-year continuation started on November 1, 2005 with additional 1 year extension to October 30, 2009. The project was then granted a two-year No Cost Extension which officially ended on October 30, 2011. This report covers the activities within this six year period with emphasis on the work completed within the last 3 years. A total of 44 papers with acknowledgement to this grant were published or submitted. The overall objectives of this project are as follows. These objectives have been evolved over the six year period: (1) To use the state-of-the-art computational methods to investigate the electronic structures of complex ceramics and other novel crystals. (2) To further investigate the defects, surfaces/interfaces and microstructures in complex materials using large scale modeling. (3) To extend the study on ceramic materials to more complex bioceramic crystals. (4) To initiate the study on soft condensed matters including water and biomolecules. (5) To focus on the spectroscopic studies of different materials especially on the ELNES and XANES spectral calculations and their applications related to experimental techniques. (6) To develop and refine computational methods to be effectively executed on DOE supercomputers. (7) To evaluate mechanical properties of different crystals and those containing defects and relate them to the fundamental electronic structures. (8) To promote and publicize the first-principles OLCAO method developed by the PI (under DOE support for many years) for applications to large complex material systems. (9) To train a new generation of graduate students and postdoctoral fellows in modern computational materials science and condensed matter physics. (10) To establish effective international and domestic collaborations with both experimentalists and theorists in materials

Devonian granitoids and their hosted mafic enclaves in the Gorny Altai terrane, northwestern Central Asian Orogenic Belt: crust-mantle interaction in a continental arc setting

Science.gov (United States)

Chen, Ming; Sun, Min

2016-04-01

Granitoids are a major component in the upper continental crust and hold key information on how did the continental crust grow and differentiate. This study focuses on the Yaloman intrusive complex from the Gorny Altai terrane, northwestern Central Asian Orogenic Belt (CAOB). The association of granitoids and mafic enclaves can provide important clues on the source nature, petrogenetic processes and geodynamic setting of the Yaloman intrusive complex, which in turn will shed light on the crustal evolution in the northwestern CAOB. Zircon U-Pb dating shows that the granitoids, including quartz diorites and granodiorites, were emplaced in ca. 389-387 Ma. The moderate Na2O + K2O contents and low A/CNK values indicate that these rocks belong to the sub-alkaline series with metaluminous to weakly peraluminous compositions. The granitoids yield two-stage zircon Hf model ages of ca. 0.79-1.07 Ga and whole-rock Nd model ages of ca. 0.90-0.99 Ga, respectively, implying that they were mainly sourced from Neoproterozoic juvenile crustal materials. The mafic enclaves show an almost identical crystallization age of ca. 389 Ma. The identification of coarse-grained xenocrysts and acicular apatites, together with the fine-grained texture, makes us infer that these enclaves are likely to represent magmatic globules commingled with the host magmas. The low SiO2 and high MgO contents of the mafic enclaves further suggest that substantial mantle-derived mafic melts were probably involved in their formation. Importantly, the SiO2 contents of the granitoids and mafic enclaves are well correlated with other major elements and most of the trace elements. Also a broadly negative correlation exists between the SiO2 contents and whole-rock epsilon Nd (390 Ma) values of the granitoids. Given the observation of reversely zoned plagioclases within the granitoids and the common occurrence of igneous mafic enclaves, we propose that magma mixing probably played an important role in the formation

Solving complex and disordered surface structures with electron diffraction

International Nuclear Information System (INIS)

Van Hove, M.A.

1987-10-01

The past of surface structure determination with low-energy electron diffraction (LEED) will be briefly reviewed, setting the stage for a discussion of recent and future developments. The aim of these developments is to solve complex and disordered surface structures. Some efficient solutions to the theoretical and experimental problems will be presented. Since the theoretical problems dominate, the emphasis will be on theoretical approaches to the calculation of the multiple scattering of electrons through complex and disordered surfaces. 49 refs., 13 figs., 1 tab

Structure-function relationship in complex brain networks expressed by hierarchical synchronization

International Nuclear Information System (INIS)

Zhou Changsong; Zemanova, Lucia; Zamora-Lopez, Gorka; Hilgetag, Claus C; Kurths, Juergen

2007-01-01

The brain is one of the most complex systems in nature, with a structured complex connectivity. Recently, large-scale corticocortical connectivities, both structural and functional, have received a great deal of research attention, especially using the approach of complex network analysis. Understanding the relationship between structural and functional connectivity is of crucial importance in neuroscience. Here we try to illuminate this relationship by studying synchronization dynamics in a realistic anatomical network of cat cortical connectivity. We model the nodes (cortical areas) by a neural mass model (population model) or by a subnetwork of interacting excitable neurons (multilevel model). We show that if the dynamics is characterized by well-defined oscillations (neural mass model and subnetworks with strong couplings), the synchronization patterns are mainly determined by the node intensity (total input strengths of a node) and the detailed network topology is rather irrelevant. On the other hand, the multilevel model with weak couplings displays more irregular, biologically plausible dynamics, and the synchronization patterns reveal a hierarchical cluster organization in the network structure. The relationship between structural and functional connectivity at different levels of synchronization is explored. Thus, the study of synchronization in a multilevel complex network model of cortex can provide insights into the relationship between network topology and functional organization of complex brain networks

Structure-function relationship in complex brain networks expressed by hierarchical synchronization

Energy Technology Data Exchange (ETDEWEB)

Zhou Changsong [Institute of Physics, University of Potsdam, PF 601553, 14415 Potsdam (Germany); Zemanova, Lucia [Institute of Physics, University of Potsdam, PF 601553, 14415 Potsdam (Germany); Zamora-Lopez, Gorka [Institute of Physics, University of Potsdam, PF 601553, 14415 Potsdam (Germany); Hilgetag, Claus C [Jacobs University Bremen, Campus Ring 6, Rm 116, D-28759 Bremen (Germany); Kurths, Juergen [Institute of Physics, University of Potsdam, PF 601553, 14415 Potsdam (Germany)

2007-06-15

The brain is one of the most complex systems in nature, with a structured complex connectivity. Recently, large-scale corticocortical connectivities, both structural and functional, have received a great deal of research attention, especially using the approach of complex network analysis. Understanding the relationship between structural and functional connectivity is of crucial importance in neuroscience. Here we try to illuminate this relationship by studying synchronization dynamics in a realistic anatomical network of cat cortical connectivity. We model the nodes (cortical areas) by a neural mass model (population model) or by a subnetwork of interacting excitable neurons (multilevel model). We show that if the dynamics is characterized by well-defined oscillations (neural mass model and subnetworks with strong couplings), the synchronization patterns are mainly determined by the node intensity (total input strengths of a node) and the detailed network topology is rather irrelevant. On the other hand, the multilevel model with weak couplings displays more irregular, biologically plausible dynamics, and the synchronization patterns reveal a hierarchical cluster organization in the network structure. The relationship between structural and functional connectivity at different levels of synchronization is explored. Thus, the study of synchronization in a multilevel complex network model of cortex can provide insights into the relationship between network topology and functional organization of complex brain networks.

Multi-frequency complex network from time series for uncovering oil-water flow structure.

Science.gov (United States)

Gao, Zhong-Ke; Yang, Yu-Xuan; Fang, Peng-Cheng; Jin, Ning-De; Xia, Cheng-Yi; Hu, Li-Dan

2015-02-04

Uncovering complex oil-water flow structure represents a challenge in diverse scientific disciplines. This challenge stimulates us to develop a new distributed conductance sensor for measuring local flow signals at different positions and then propose a novel approach based on multi-frequency complex network to uncover the flow structures from experimental multivariate measurements. In particular, based on the Fast Fourier transform, we demonstrate how to derive multi-frequency complex network from multivariate time series. We construct complex networks at different frequencies and then detect community structures. Our results indicate that the community structures faithfully represent the structural features of oil-water flow patterns. Furthermore, we investigate the network statistic at different frequencies for each derived network and find that the frequency clustering coefficient enables to uncover the evolution of flow patterns and yield deep insights into the formation of flow structures. Current results present a first step towards a network visualization of complex flow patterns from a community structure perspective.

Draa Sfar, Morocco: A Visean (331 Ma) pyrrhotite-rich, polymetallic volcanogenic massive sulphide deposit in a Hercynian sediment-dominant terrane

OpenAIRE

Marcoux , Eric; Belkabir , Abdelhay; Gibson , Harold L.; Lentz , David; Ruffet , Gilles

2008-01-01

International audience; Draa Sfar is a Visean, stratabound, volcanogenic massive sulphide ore deposit hosted by a Hercynian carbonaceous, black shale-rich succession of the Jebilet terrane, Morocco. The ore deposit contains 10 Mt grading 5.3 wt.% Zn, 2 wt.% Pb, and 0.3 wt.% Cu within two main massive sulphides orebodies, Tazakourt (Zn-rich) and Sidi M'Barek (Zn–Cu rich). Pyrrhotite is by far the dominant sulphide (70 to 95% of total sulphides), sphalerite is fairly abundant, chalcopyrite and ...

Origin of the mafic microgranular enclaves (MMEs) and their host granitoids from the Tagong pluton in Songpan-Ganze terrane: An igneous response to the closure of the Paleo-Tethys ocean

Science.gov (United States)

Chen, Qiong; Sun, Min; Zhao, Guochun; Yang, Fengli; Long, Xiaoping; Li, Jianhua; Wang, Jun; Yu, Yang

2017-10-01

The Songpan-Ganze terrane is mainly composed of a Triassic sedimentary sequence and late Triassic-Jurassic igneous rocks. A large number of plutons were emplaced as a result of tectono-magmatic activity related to the late stages of Paleo-Tethys ocean closure and ensuing collision. Granitoids and their hosted mafic enclaves can provide important constraints on the crust-mantle interaction and continental crustal growth. Mesozoic magmatism of Songpan-Ganze remains enigmatic with regard to their magma generation and geodynamic evolution. The Tagong pluton (209 Ma), in the eastern part of the Songpan-Ganze terrane, consists mainly of monzogranite and granodiorite with abundant coeval mafic microgranular enclaves (MMEs) (ca. 208-209 Ma). The pluton comprises I-type granitoid that possesses intermediate to acidic compositions (SiO2 = 61.6-65.8 wt.%), high potassium (K2O = 3.2-4.1 wt.%), and high Mg# (51-54). They are also characterized by arc-type enrichment of LREEs and LILEs, depletion of HFSEs (e.g. Nb, Ta, Ti) and moderate Eu depletions (Eu/Eu* = 0.46-0.63). Their evolved zircon Hf and whole-rock Nd isotopic compositions indicate that their precursor magmas were likely generated by melting of old lower continental crust. Comparatively, the MMEs have lower SiO2 (53.4-58.2 wt.%), higher Mg# (54-67) and show covariation of major and trace elements, coupled with field and petrographic observations, such as the disequilibrium textures of plagioclase and amphibole, indicating that the MMEs and host granitoids were originated from different magma sources but underwent mafic-felsic magma mixing process. Geochemical and isotopic data further suggest that the precursor magma of the MMEs was formed in the continental arc setting, mainly derived from an ancient metasomatized lithospheric mantle wedge. The Triassic granitoids from the Songpan-Ganze terrane show remarkable temporal-spatial-petrogenetic affinities to the counterparts of subduction zones in the Yidun and Kunlun arc

Extending and expanding the Darwinian synthesis: the role of complex systems dynamics.

Science.gov (United States)

Weber, Bruce H

2011-03-01

Darwinism is defined here as an evolving research tradition based upon the concepts of natural selection acting upon heritable variation articulated via background assumptions about systems dynamics. Darwin's theory of evolution was developed within a context of the background assumptions of Newtonian systems dynamics. The Modern Evolutionary Synthesis, or neo-Darwinism, successfully joined Darwinian selection and Mendelian genetics by developing population genetics informed by background assumptions of Boltzmannian systems dynamics. Currently the Darwinian Research Tradition is changing as it incorporates new information and ideas from molecular biology, paleontology, developmental biology, and systems ecology. This putative expanded and extended synthesis is most perspicuously deployed using background assumptions from complex systems dynamics. Such attempts seek to not only broaden the range of phenomena encompassed by the Darwinian Research Tradition, such as neutral molecular evolution, punctuated equilibrium, as well as developmental biology, and systems ecology more generally, but to also address issues of the emergence of evolutionary novelties as well as of life itself. Copyright © 2010 Elsevier Ltd. All rights reserved.

Structure of the CaMKIIdelta/calmodulin complex reveals the molecular mechanism of CaMKII kinase activation.

Directory of Open Access Journals (Sweden)

Peter Rellos

2010-07-01

Full Text Available Long-term potentiation (LTP, a long-lasting enhancement in communication between neurons, is considered to be the major cellular mechanism underlying learning and memory. LTP triggers high-frequency calcium pulses that result in the activation of Calcium/Calmodulin (CaM-dependent kinase II (CaMKII. CaMKII acts as a molecular switch because it remains active for a long time after the return to basal calcium levels, which is a unique property required for CaMKII function. Here we describe the crystal structure of the human CaMKIIdelta/Ca2+/CaM complex, structures of all four human CaMKII catalytic domains in their autoinhibited states, as well as structures of human CaMKII oligomerization domains in their tetradecameric and physiological dodecameric states. All four autoinhibited human CaMKIIs were monomeric in the determined crystal structures but associated weakly in solution. In the CaMKIIdelta/Ca2+/CaM complex, the inhibitory region adopted an extended conformation and interacted with an adjacent catalytic domain positioning T287 into the active site of the interacting protomer. Comparisons with autoinhibited CaMKII structures showed that binding of calmodulin leads to the rearrangement of residues in the active site to a conformation suitable for ATP binding and to the closure of the binding groove for the autoinhibitory helix by helix alphaD. The structural data, together with biophysical interaction studies, reveals the mechanism of CaMKII activation by calmodulin and explains many of the unique regulatory properties of these two essential signaling molecules.This article can also be viewed as an enhanced version in which the text of the article is integrated with interactive 3-D representations and animated transitions. Please note that a web plugin is required to access this enhanced functionality. Instructions for the installation and use of the Web plugin are available in Text S1.

Electronic structure and driving forces in β-cyclodextrin: Diclofenac inclusion complexes

International Nuclear Information System (INIS)

Bogdan, Diana; Morari, C.

2007-01-01

We investigate the geometry and electronic structure for complexes of β-cyclodextrin with diclofenac using DFT calculations. The effect of solvent is explicitly taken into account. This investigation allows us to draw meaningful conclusions upon the stability of the complex and the nature of the driving forces leading to the complexation process. In particular we emphasize the role of the water, by pointing out the changes in the solvent's electronic structure for different docking geometries

Structure identification and adaptive synchronization of uncertain general complex dynamical networks

International Nuclear Information System (INIS)

Xu Yuhua; Zhou Wuneng; Fang Jian'an; Lu Hongqian

2009-01-01

This Letter proposes an approach to identify the topological structure and unknown parameters for uncertain general complex networks simultaneously. By designing effective adaptive controllers, we achieve synchronization between two complex networks. The unknown network topological structure and system parameters of uncertain general complex dynamical networks are identified simultaneously in the process of synchronization. Several useful criteria for synchronization are given. Finally, an illustrative example is presented to demonstrate the application of the theoretical results.

Structure identification and adaptive synchronization of uncertain general complex dynamical networks

Energy Technology Data Exchange (ETDEWEB)

Xu Yuhua, E-mail: yuhuaxu2004@163.co [College of Information Science and Technology, Donghua University, Shanghai 201620 (China) and Department of Maths, Yunyang Teacher' s College, Hubei 442000 (China); Zhou Wuneng, E-mail: wnzhou@163.co [College of Information Science and Technology, Donghua University, Shanghai 201620 (China); Fang Jian' an [College of Information Science and Technology, Donghua University, Shanghai 201620 (China); Lu Hongqian [Shandong Institute of Light Industry, Shandong Jinan 250353 (China)

2009-12-28

This Letter proposes an approach to identify the topological structure and unknown parameters for uncertain general complex networks simultaneously. By designing effective adaptive controllers, we achieve synchronization between two complex networks. The unknown network topological structure and system parameters of uncertain general complex dynamical networks are identified simultaneously in the process of synchronization. Several useful criteria for synchronization are given. Finally, an illustrative example is presented to demonstrate the application of the theoretical results.

A new entropy based method for computing software structural complexity

CERN Document Server

Roca, J L

2002-01-01

In this paper a new methodology for the evaluation of software structural complexity is described. It is based on the entropy evaluation of the random uniform response function associated with the so called software characteristic function SCF. The behavior of the SCF with the different software structures and their relationship with the number of inherent errors is investigated. It is also investigated how the entropy concept can be used to evaluate the complexity of a software structure considering the SCF as a canonical representation of the graph associated with the control flow diagram. The functions, parameters and algorithms that allow to carry out this evaluation are also introduced. After this analytic phase follows the experimental phase, verifying the consistency of the proposed metric and their boundary conditions. The conclusion is that the degree of software structural complexity can be measured as the entropy of the random uniform response function of the SCF. That entropy is in direct relation...

Nanofluidic structures with complex three-dimensional surfaces

International Nuclear Information System (INIS)

Stavis, Samuel M; Gaitan, Michael; Strychalski, Elizabeth A

2009-01-01

Nanofluidic devices have typically explored a design space of patterns limited by a single nanoscale structure depth. A method is presented here for fabricating nanofluidic structures with complex three-dimensional (3D) surfaces, utilizing a single layer of grayscale photolithography and standard integrated circuit manufacturing tools. This method is applied to construct nanofluidic devices with numerous (30) structure depths controlled from ∼10 to ∼620 nm with an average standard deviation of 1 cm. A prototype 3D nanofluidic device is demonstrated that implements size exclusion of rigid nanoparticles and variable nanoscale confinement and deformation of biomolecules.

DNA complexes with Ni nanoparticles: structural and functional properties

Energy Technology Data Exchange (ETDEWEB)

Tatarinova, Olga N.; Smirnov, Igor P. [Research Institute for Physico-Chemical Medicine of the Federal Medical-Biological Agency of the Russian Federation (Russian Federation); Safenkova, Irina V. [A.N. Bach Institute of Biochemistry (Russian Federation); Varizhuk, Anna M.; Pozmogova, Galina E., E-mail: pozmge@gmail.com [Research Institute for Physico-Chemical Medicine of the Federal Medical-Biological Agency of the Russian Federation (Russian Federation)

2012-10-15

Supramolecular complexes of biopolymers based on magnetic nanoparticles play an important role in creation of biosensors, implementation of theragnostic and gene therapeutic methods and biosafety evaluation. We investigated the impact of DNA interactions with nanoparticles of nickel (nNi) on the integrity and functionality of DNA. Data obtained by mass spectrometry, electrophoresis, TEM and AFM microscopy techniques, bacterial transformation, and real-time PCR provide evidence that ssDNA and plasmid DNA (pDNA) efficiently form complexes with nNi. AFM data suggest that the complexes are necklace-type structures, in which nanoparticles are randomly distributed along the DNA chains, rather than highly entangled clot-type structures. After desorption, observed DNA characteristics in bioanalytical and biological systems remain unchanged. Only supercoiled pDNA was nicked, but remained, as well as a plasmid-nNi complex, active in expression vector assays. These results are very important for creation of new methods of DNA immobilization and controlled manipulation.

DNA complexes with Ni nanoparticles: structural and functional properties

International Nuclear Information System (INIS)

Tatarinova, Olga N.; Smirnov, Igor P.; Safenkova, Irina V.; Varizhuk, Anna M.; Pozmogova, Galina E.

2012-01-01

Supramolecular complexes of biopolymers based on magnetic nanoparticles play an important role in creation of biosensors, implementation of theragnostic and gene therapeutic methods and biosafety evaluation. We investigated the impact of DNA interactions with nanoparticles of nickel (nNi) on the integrity and functionality of DNA. Data obtained by mass spectrometry, electrophoresis, TEM and AFM microscopy techniques, bacterial transformation, and real-time PCR provide evidence that ssDNA and plasmid DNA (pDNA) efficiently form complexes with nNi. AFM data suggest that the complexes are necklace-type structures, in which nanoparticles are randomly distributed along the DNA chains, rather than highly entangled clot-type structures. After desorption, observed DNA characteristics in bioanalytical and biological systems remain unchanged. Only supercoiled pDNA was nicked, but remained, as well as a plasmid–nNi complex, active in expression vector assays. These results are very important for creation of new methods of DNA immobilization and controlled manipulation.

Wave propagation in complex structures with LEGO

NARCIS (Netherlands)

Lancellotti, V.; Hon, de B.P.; Tijhuis, A.G.

2012-01-01

We present the extension of the linear embedding via Green's operators (LEGO) scheme to problems that involve elementary sources localized inside complex structures made of different dielectric media with inclusions. We show how this new feature allows solving problems of wave propagation within,

Permian depositional age of metaturbidites of the Duque de York Complex, southern Chile: U-Pb SHRIMP data and palynology

International Nuclear Information System (INIS)

Sepulveda, Fernando A; Palma-Heldt, Sylvia; Herve, Francisco; Fanning, Mark

2010-01-01

The Duque de York Complex (DYC) is part of the low grade metamorphic accretionary complexes of the pre-Andean Patagonian 'basement'. It is a sedimentary succession exposed along the western margin of southernmost South America. New U-Pb zircon ages and palynological data restrict the maximum depositional age of the DYC to the limit between the early Permian (Kungurian) and the middle Permian (Roadian). The palynological association recorded in the DYC, characterized mainly by Gymnospermopsida pollen, indicates a humid environment of forest with an under-growth of ferns. Regional paleogeographic correlations point out that an interpretation of DYC as an autochthonous terrane cannot be discarded, contrasting with previous hypotheses which suggest an allochthonous character for this complex

Reaction-diffusion controlled growth of complex structures

Science.gov (United States)

Noorduin, Willem; Mahadevan, L.; Aizenberg, Joanna

2013-03-01

Understanding how the emergence of complex forms and shapes in biominerals came about is both of fundamental and practical interest. Although biomineralization processes and organization strategies to give higher order architectures have been studied extensively, synthetic approaches to mimic these self-assembled structures are highly complex and have been difficult to emulate, let alone replicate. The emergence of solution patterns has been found in reaction-diffusion systems such as Turing patterns and the BZ reaction. Intrigued by this spontaneous formation of complexity we explored if similar processes can lead to patterns in the solid state. We here identify a reaction-diffusion system in which the shape of the solidified products is a direct readout of the environmental conditions. Based on insights in the underlying mechanism, we developed a toolbox of engineering strategies to deterministically sculpt patterns and shapes, and combine different morphologies to create a landscape of hierarchical multi scale-complex tectonic architectures with unprecedented levels of complexity. These findings may hold profound implications for understanding, mimicking and ultimately expanding upon nature's morphogenesis strategies, allowing the synthesis of advanced highly complex microscale materials and devices. WLN acknowledges the Netherlands Organization for Scientific Research for financial support

Crystal structure of the complex of carboxypeptidase A with a strongly bound phosphonate in a new crystalline form: comparison with structures of other complexes.

Science.gov (United States)

Kim, H; Lipscomb, W N

1990-06-12

O-[[(1R)-[[N-(Phenylmethoxycarbonyl)-L-alanyl]amino]ethyl] hydroxyphosphinyl]-L-3-phenyllacetate [ZAAP(O)F], an analogue of (benzyloxycarbonyl)-Ala-Ala-Phe or (benzyloxycarbonyl)-Ala-Ala-phenyllactate, binds to carboxypeptidase A with great affinity (Ki = 3 pM). Similar phosphonates have been shown to be transition-state analogues of the CPA-catalyzed hydrolysis [Hanson, J. E., Kaplan, A. P., & Bartlett, P. A. (1989) Biochemistry 28, 6294-6305]. In the present study, the structure of the complex of this phosphonate with carboxypeptidase A has been determined by X-ray crystallography to a resolution of 2.0 A. The complex crystallizes in the space group P2(1)2(1)2(1) with cell dimensions a = 61.9 A, b = 67.2 A, and c = 76.2 A. The structure of the complex was solved by molecular replacement. Refinement of the structure against 20,776 unique reflections between 10.0 and 2.0 A yields a crystallographic residual of 0.193, including 140 water molecules. The two phosphinyl oxygens of the inhibitor bind to the active-site zinc at 2.2 A on the electrophilic (Arg-127) side and 3.1 A on the nucleophilic (Glu-270) side. Various features of the binding mode of this phosphonate inhibitor are consistent with the hypothesis that carboxypeptidase A catalyzed hydrolysis proceeds through a general-base mechanism in which the carbonyl carbon of the substrate is attacked by Zn-hydroxyl (or Zn-water). An unexpected feature of the bound inhibitor, the cis carbamoyl ester bond at the benzyloxycarbonyl linkage to alanine, allows the benzyloxycarbonyl phenyl ring of the inhibitor to interact favorably with Tyr-198. This complex structure is compared with previous structures of carboxypeptidase A, including the complexes with the potato inhibitor, a hydrated keto methylene substrate analogue, and a phosphonamidate inhibitor. Comparisons are also made with the complexes of thermolysin with some phosphonamidate inhibitors.

Detecting community structure using label propagation with consensus weight in complex network

International Nuclear Information System (INIS)

Liang Zong-Wen; Li Jian-Ping; Yang Fan; Petropulu Athina

2014-01-01

Community detection is a fundamental work to analyse the structural and functional properties of complex networks. The label propagation algorithm (LPA) is a near linear time algorithm to find a good community structure. Despite various subsequent advances, an important issue of this algorithm has not yet been properly addressed. Random update orders within the algorithm severely hamper the stability of the identified community structure. In this paper, we executed the basic label propagation algorithm on networks multiple times, to obtain a set of consensus partitions. Based on these consensus partitions, we created a consensus weighted graph. In this consensus weighted graph, the weight value of the edge was the proportion value that the number of node pairs allocated in the same cluster was divided by the total number of partitions. Then, we introduced consensus weight to indicate the direction of label propagation. In label update steps, by computing the mixing value of consensus weight and label frequency, a node adopted the label which has the maximum mixing value instead of the most frequent one. For extending to different networks, we introduced a proportion parameter to adjust the proportion of consensus weight and label frequency in computing mixing value. Finally, we proposed an approach named the label propagation algorithm with consensus weight (LPAcw), and the experimental results showed that the LPAcw could enhance considerably both the stability and the accuracy of community partitions. (interdisciplinary physics and related areas of science and technology)

The Similar Structures and Control Problems of Complex Systems

Institute of Scientific and Technical Information of China (English)

无

2002-01-01

In this paper, the naturally evolving complex systems, such as biotic and social ones, are considered. Focusing on their structures, a feature is noteworthy, i.e., the similarity in structures. The relations between the functions and behaviors of these systems and their similar structures will be studied. Owing to the management of social systems and the course of evolution of biotic systems may be regarded as control processes, the researches will be within the scope of control problems. Moreover, since it is difficult to model for biotic and social systems, it will start with the control problems of complex systems, possessing similar structures, in engineering.The obtained results show that for either linear or nonlinear systems and for a lot of control problemssimilar structures lead to a series of simplifications. In general, the original system may be decomposed into reduced amount of subsystems with lower dimensions and simpler structures. By virtue of such subsystems, the control problems of original system can be solved more simply.At last, it turns round to observe the biotic and social systems and some analyses are given.

Electronic structure and driving forces in {beta}-cyclodextrin: Diclofenac inclusion complexes

Energy Technology Data Exchange (ETDEWEB)

Bogdan, Diana [National Institute for Research and Development of Isotopic and Molecular Technologies, Donath street 71-103, 400293 Cluj-Napoca (Romania); Morari, C. [National Institute for Research and Development of Isotopic and Molecular Technologies, Donath street 71-103, 400293 Cluj-Napoca (Romania)]. E-mail: cristim@s3.itim-cj.ro

2007-07-02

We investigate the geometry and electronic structure for complexes of {beta}-cyclodextrin with diclofenac using DFT calculations. The effect of solvent is explicitly taken into account. This investigation allows us to draw meaningful conclusions upon the stability of the complex and the nature of the driving forces leading to the complexation process. In particular we emphasize the role of the water, by pointing out the changes in the solvent's electronic structure for different docking geometries.

Synthesis, crystal structure and luminescent properties of lanthanide extended structure with asymmetrical dinuclear units based on 2-(methylthio)benzoic acid

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Cristiane K.; Souza, Viviane P. de; Luz, Leonis L. da [Departamento de Química Fundamental, UFPE, 50.740-560 Recife, PE (Brazil); Menezes Vicenti, Juliano R. de [Escola de Química e Alimento, FURG, 96203-900 Rio Grande, RS (Brazil); Burrow, Robert A. [Departamento de Química, UFSM, 97105-900 Santa Maria, RS (Brazil); Severino Alves; Longo, Ricardo L. [Departamento de Química Fundamental, UFPE, 50.740-560 Recife, PE (Brazil); Malvestiti, Ivani, E-mail: ivani@ufpe.br [Departamento de Química Fundamental, UFPE, 50.740-560 Recife, PE (Brazil)

2016-02-15

The extended structures [Ln{sub 2}(L){sub 6}(OH{sub 2}){sub 4}] with L=2-(methylthio)benzoato (2-CH{sub 3}S–C{sub 6}H{sub 4}COO{sup −}) and Ln=Tb (1), Eu (2) and Gd (3) were successfully synthesized and characterized. The single crystal structure of compound 1 was determined and showed an extended structure made up of asymmetrical dinuclear units with the formula catena-poly[{Tb(H_2O)_4}-(μ-L-1κO:2κO'){sub 2}-{Tb(L-κO,O')_2}-(μ-L-1κO:2κO'){sub 2}]. In the molecule of 1, there are two distinct metal sites. The Tb atom in site 1 is bound to four coordinated water molecules and four oxygen atoms from four different benzoate ligands, two of which bridge to site 2 Tb atoms on one side and two to site 2 Tb atoms on the other side. The site 2 Tb atom is bound to four oxygen atoms from two chelating benzoate ligands and four oxygen atoms from four different benzoate ligands, two of which bridge to site 1 Tb atoms on one side and two to site 1 Tb atoms on the other side. The bridging benzoate ligands extend the framework in one-dimension with alternating site 1/site 2 Tb atoms. The luminescent properties of these asymmetric dinuclear extended structures are quite peculiar and showed a single emitting lanthanide center. The quantum yields of 1 (ca. 50–55%) is practically independent of the excitation energy, whereas those of 2 are vanishing small (<1%) when excited at the ligand states and become sizable (ca. 10–20%) upon excitation at the intra-4f manifold. To reconcile these experimental observations in conjunction with the spectral data for compounds 1 and 3, a strong interaction between the lanthanide emitting states at sites 1 and 2 was proposed. For compound 1, the numerical solutions of the rate equations provided evidences that when the transition rates between the emitting states at both sites are larger than the highest decaying rate of these states, the system becomes an effective single emitter. This establishes, for the first time

Age/isotopic characterisation of the Waipapa Group in Northland and Auckland, New Zealand, and implications for the status of the Waipapa Terrane

International Nuclear Information System (INIS)

Adams, C.J.; Maas, R.

2004-01-01

Rb-Sr ages of low-grade metasediments of the Waipapa Group (probable Permian-Jurassic) of Northland and Auckland range from Late Triassic (c. 209-217 Ma) to Middle Jurassic (c. 164-174 Ma), reflecting deformation and metamorphism during the Rangitata Orogeny. K-Ar ages indicate Middle Jurassic (c. 165-175 Ma) uplift and cooling of the western Omahuta-Puketi Forest block, and later, Middle-Late Jurassic (c. 150-160 Ma) cooling of the Helena Bay to Hunua Ranges eastern coastal block. In the intervening Western Bay of Islands block, there is evidence of local Early Cretaceous (c. 135 Ma) metamorphism. Rb-Sr whole-rock isochron age (t) and initial 87 Sr/ 86 Sr ratio (i) data support the assignment of Waipapa Group of the westernmost, Omahuta-Puketi block to the Caples Terrane. The remaining data have a consistent (t)-(i) signature, with (i) values 0.7039-0.7049, unlike Permian-Cretaceous Torlesse Supergroup metasediments with more radiogenic (i) values, typically >0.7060. They thus support the retention of a separate, Waipapa Terrane which continues southwards through central North Island to the Kaimanawa Ranges, and probably to Kapiti Island, and schist equivalents in eastern Marlborough. (author). 62 refs., 5 figs., 3 tabs

On dependence of stability of lanthanum complexes with aminopolycarboxylic acids on the complex structure

International Nuclear Information System (INIS)

Poluehktov, N.S.; Meshkova, S.B.; Danilkovich, M.M.; Topilova, Z.M.

1985-01-01

Regularities in changes of stability constants of lanthanum complexes with aminopolycarboxylic acids (APA) versus their structure are studied, The stability of lathanum-APA complexes depends mainly on the number of carboxyl groups in a ligand molecule. At that, the highest stability constant is characteristic of a complex with a ligand, containing 3 nitrogen atoms and 5 carboxyl groups, in the presenoe of which the lanthanum ion coordination sphere gets satupated. The oxyethy group introduction into a ligand molecule also improves the lanthanum complex stability but to a lesser degree than during the introduction of a carboxyl group. The number of nitrogen atoms in a ligand polecule affects insignificantly the complex stability constant value, and the elongation of a chain of CH 2 groups, separating nitrogen atoms, reduces the constant to a -0.6 power

Spinors in euclidean field theory, complex structures and discrete symmetries

International Nuclear Information System (INIS)

Wetterich, C.

2011-01-01

We discuss fermions for arbitrary dimensions and signature of the metric, with special emphasis on euclidean space. Generalized Majorana spinors are defined for d=2,3,4,8,9mod8, independently of the signature. These objects permit a consistent analytic continuation of Majorana spinors in Minkowski space to euclidean signature. Compatibility of charge conjugation with complex conjugation requires for euclidean signature a new complex structure which involves a reflection in euclidean time. The possible complex structures for Minkowski and euclidean signature can be understood in terms of a modulo two periodicity in the signature. The concepts of a real action and hermitean observables depend on the choice of the complex structure. For a real action the expectation values of all hermitean multi-fermion observables are real. This holds for arbitrary signature, including euclidean space. In particular, a chemical potential is compatible with a real action for the euclidean theory. We also discuss the discrete symmetries of parity, time reversal and charge conjugation for arbitrary dimension and signature.

Searching for new thermoelectrics in chemically and structurally complex bismuth chalcogenides

Energy Technology Data Exchange (ETDEWEB)

Chung, D Y; Hogan, T; Schindler, J; Iordanidis, L; Brazis, P; Kannewurf, C R; Chen, B; Uher, C; Kanatzidis, M G

1997-07-01

A solid state chemistry synthetic approach towards identifying new materials with potentially superior thermoelectric properties is presented. Materials with complex compositions and structures also have complex electronic structures which may give rise to high thermoelectric powers and at the same time possess low thermal conductivities. The structures and thermoelectric properties of several new promising compounds with K-Bi-Se, K-Bi-S, Ba-Bi-Te, Cs-Bi-Te, and Rb-bi-Te are reported.

Geochronology of plutonic rocks and their tectonic terranes in Glacier Bay National Park and Preserve, southeast Alaska: Chapter E in Studies by the U.S. Geological Survey in Alaska, 2008-2009

Science.gov (United States)

Brew, David A.; Tellier, Kathleen E.; Lanphere, Marvin A.; Nielsen, Diane C.; Smith, James G.; Sonnevil, Ronald A.

2014-01-01

We have identified six major belts and two nonbelt occurrences of plutonic rocks in Glacier Bay National Park and Preserve and characterized them on the basis of geologic mapping, igneous petrology, geochemistry, and isotopic dating. The six plutonic belts and two other occurrences are, from oldest to youngest: (1) Jurassic (201.6–145.5 Ma) diorite and gabbro of the Lituya belt; (2) Late Jurassic (161.0–145.5 Ma) leucotonalite in Johns Hopkins Inlet; (3) Early Cretaceous (145.5–99.6 Ma) granodiorite and tonalite of the Muir-Chichagof belt; (4) Paleocene tonalite in Johns Hopkins Inlet (65.5–55.8 Ma); (5) Eocene granodiorite of the Sanak-Baranof belt; (6) Eocene and Oligocene (55.8–23.0 Ma) granodiorite, quartz diorite, and granite of the Muir-Fairweather felsic-intermediate belt; (7) Eocene and Oligocene (55.8–23.0 Ma) layered gabbros of the Crillon-La Perouse mafic belt; and (8) Oligocene (33.9–23.0 Ma) quartz monzonite and quartz syenite of the Tkope belt. The rocks are further classified into 17 different combination age-compositional units; some younger belts are superimposed on older ones. Almost all these plutonic rocks are related to Cretaceous and Tertiary subduction events. The six major plutonic belts intrude the three southeast Alaska geographic subregions in Glacier Bay National Park and Preserve, from west to east: (1) the Coastal Islands, (2) the Tarr Inlet Suture Zone (which contains the Border Ranges Fault Zone), and (3) the Central Alexander Archipelago. Each subregion includes rocks assigned to one or more tectonic terranes. The various plutonic belts intrude different terranes in different subregions. In general, the Early Cretaceous plutons intrude rocks of the Alexander and Wrangellia terranes in the Central Alexander Archipelago subregion, and the Paleogene plutons intrude rocks of the Chugach, Alexander, and Wrangellia terranes in the Coastal Islands, Tarr Inlet Suture Zone, and Central Alexander Archipelago subregions.

Improved detection rate of structural abnormalities in the first trimester using an extended examination protocol.

Science.gov (United States)

Iliescu, D; Tudorache, S; Comanescu, A; Antsaklis, P; Cotarcea, S; Novac, L; Cernea, N; Antsaklis, A

2013-09-01

To assess the potential of first-trimester sonography in the detection of fetal abnormalities using an extended protocol that is achievable with reasonable resources of time, personnel and ultrasound equipment. This was a prospective two-center 2-year study of 5472 consecutive unselected pregnant women examined at 12 to 13 + 6 gestational weeks. Women were examined using an extended morphogenetic ultrasound protocol that, in addition to the basic evaluation, involved a color Doppler cardiac sweep and identification of early contingent markers for major abnormalities. The prevalence of lethal and severe malformations was 1.39%. The first-trimester scan identified 40.6% of the cases detected overall and 76.3% of major structural defects. The first-trimester detection rate (DR) for major congenital heart disease (either isolated or associated with extracardiac abnormalities) was 90% and that for major central nervous system anomalies was 69.5%. In fetuses with increased nuchal translucency (NT), the first-trimester DR for major anomalies was 96%, and in fetuses with normal NT it was 66.7%. Most (67.1%) cases with major abnormalities presented with normal NT. A detailed first-trimester anomaly scan using an extended protocol is an efficient screening method to detect major fetal structural abnormalities in low-risk pregnancies. It is feasible at 12 to 13 + 6 weeks with ultrasound equipment and personnel already used for routine first-trimester screening. Rate of detection of severe malformations is greater in early- than in mid-pregnancy and on postnatal evaluation. Early heart investigation could be improved by an extended protocol involving use of color Doppler. Copyright © 2013 ISUOG. Published by John Wiley & Sons Ltd.

Analysis of RTM extended images for VTI media

KAUST Repository

Li, Vladimir; Tsvankin, Ilya; Alkhalifah, Tariq Ali

2015-01-01

velocity analysis remain generally valid in the extended image space for complex media. The dependence of RMO on errors in the anisotropy parameters provides essential insights for anisotropic wavefield tomography using extended images.

Polyacrylic acids–bovine serum albumin complexation: Structure and dynamics

International Nuclear Information System (INIS)

Othman, Mohamed; Aschi, Adel; Gharbi, Abdelhafidh

2016-01-01

The study of the mixture of BSA with polyacrylic acids at different masses versus pH allowed highlighting the existence of two regimes of weak and strong complexation. These complexes were studied in diluted regime concentration, by turbidimetry, dynamic light scattering (DLS), zeta-potential measurements and nuclear magnetic resonance (NMR). We have followed the pH effect on the structure and properties of the complex. This allowed refining the interpretation of the phase diagram and understanding the observed phenomena. The NMR measurements allowed probing the dynamics of the constituents versus the pH. The computational method was used to precisely determine the electrostatic potential of BSA and how the polyelectrolyte binds to it at different pH. - Highlights: • Influence of physico-chemical parameters on the electrostatic interactions in the complex system (polyelectrolyte/protein). • Stabilization and encapsulation of biological macromolecules solution by mean of polyelectrolyte. • Properties and structure of mixture obtained by screening the charges of globular protein and at different masses of polyacrylic acids. • Dynamic of the constituents formed by complexes particles. • Evaluation of the electrostatic properties of bovine serum albumin versus pH through solution of the Poisson-Boltzmann equation.

Electronic Structural Analysis of Copper(II)–TEMPO/ABNO Complexes Provides Evidence for Copper(I)–Oxoammonium Character

International Nuclear Information System (INIS)

Walroth, Richard C.; Miles, Kelsey C.; Lukens, James T.; MacMillan, Samantha N.; Stahl, Shannon S.; Lancaster, Kyle M.

2017-01-01

Copper/aminoxyl species are proposed as key intermediates in aerobic alcohol oxidation. Several possible electronic structural descriptions of these species are possible, and here we probe this issue by examining four crystallographically characterized Cu/aminoxyl halide complexes by Cu K-edge, Cu L 2,3 - edge, and Cl K-edge X-ray absorption spectroscopy. The mixing coefficients between Cu, aminoxyl, and halide orbitals are determined via these techniques with support from density functional theory. The emergent electronic structure picture reveals that Cu coordination confers appreciable oxoammonium character to the aminoxyl ligand. The computational methodology is extended to one of the putative intermediates invoked in catalytic Cu/aminoxyl-driven alcohol oxidation reactions, with similar findings. On the whole, the results have important implications for the mechanism of alcohol oxidation and the underlying basis for cooperativity in this co- catalyst system.

Vibrational spectroscopy and structural analysis of complex uranium compounds (review)

International Nuclear Information System (INIS)

Umreiko, D.S.; Nikanovich, M.V.

1985-01-01

The paper reports on the combined application of experimental and theoretical methods of vibrational spectroscopy together with low-temperature luminescence data to determine the characteristic features of the formation and structure of complex systems, not only containing ligands directly coordinated to the CA uranium, but also associated with the extraspherical polyatomic electrically charged particles: organic cations. These include uranyl complexes and heterocyclical amines. Studied here were compounds of tetra-halouranylates with pyridine and its derivates, as well as dipyridyl, quinoline and phenanthroline. Structural schemes are also proposed for other uranyl complexes with protonated heterocyclical amines with a more complicated composition, which correctly reflect their spectroscopic properties

Photonic crystals, light manipulation, and imaging in complex nematic structures

Science.gov (United States)

Ravnik, Miha; Å timulak, Mitja; Mur, Urban; Čančula, Miha; Čopar, Simon; Žumer, Slobodan

2016-03-01

Three selected approaches for manipulation of light by complex nematic colloidal and non-colloidal structures are presented using different own custom developed theoretical and modelling approaches. Photonic crystals bands of distorted cholesteric liquid crystal helix and of nematic colloidal opals are presented, also revealing distinct photonic modes and density of states. Light propagation along half-integer nematic disclinations is shown with changes in the light polarization of various winding numbers. As third, simulated light transmission polarization micrographs of nematic torons are shown, offering a new insight into the complex structure characterization. Finally, this work is a contribution towards using complex soft matter in optics and photonics for advanced light manipulation.

Radar correlated imaging for extended target by the combination of negative exponential restraint and total variation

Science.gov (United States)

Qian, Tingting; Wang, Lianlian; Lu, Guanghua

2017-07-01

Radar correlated imaging (RCI) introduces the optical correlated imaging technology to traditional microwave imaging, which has raised widespread concern recently. Conventional RCI methods neglect the structural information of complex extended target, which makes the quality of recovery result not really perfect, thus a novel combination of negative exponential restraint and total variation (NER-TV) algorithm for extended target imaging is proposed in this paper. The sparsity is measured by a sequential order one negative exponential function, then the 2D total variation technique is introduced to design a novel optimization problem for extended target imaging. And the proven alternating direction method of multipliers is applied to solve the new problem. Experimental results show that the proposed algorithm could realize high resolution imaging efficiently for extended target.

Neoproterozoic Structural Evolution of the NE-trending 620-540 Ma Ad-Damm Shear Zone, Arabian Shield, Saudi Arabia

Science.gov (United States)

Hamimi, Z.; El-Sawy, E. K.; El-Fakharan, A. S.; Shujoon, A.; Matsah, M.; El-Shafei, M.

2012-04-01

Ad-Damm Shear Zone (ASZ) is a NE-trending fault zone separating Jeddah and Asir tectonostratigraphic terranes in the Neoproterozoic juvenile Arabian Shield. ASZ extends ~380 km, with an average width ~2-3 km, from the eye-catching Ruwah Fault Zone in the eastern shield to the Red Sea Coastal plain. It was believed to be one of the conjugate shears of the NW- to NNW- trending sinistral Najd Shear System based on noteworthy dextral shear criteria recorded within the 620 Ma sheared granites of Numan Complex, as well as right-lateral offsets within quartz veins and dikes transected by the shear zone. The present study is an integrated field-based structural analysis and remote sensing. We utilized the ASTER data for lithologic discrimination and automatic structural lineament extraction and analysis of the Neoproterozoic basement lithologies encountered along and within the vicinity of ASZ. Various false color composite images were generated and evaluated for lithological mapping and structural lineaments. The obtained map was analyzed using GIS techniques to interpret the behavior of the existing lineaments and their spatial distribution. Based on the results of the ASTER data, two significant areas; around Bir Ad-Damm and to the south of Wadi Numan, are selected for detailed field investigation. Shear-sense indicators and overprinting relations clearly show a complicated Neoproterozoic history of ASZ, involving at least three deformations: (1) an early attenuated NE-SW sinistral shearing; followed by (2) a SE-directed thrusting phase resulted in the formation SE-verging thrusts and associated thrust-related folds; and (3) late NE-SW intensive dextral transcurrent shearing played a significant role in the creation of mesoscopic shear-zone related folds, particularly in the area near Bir Ad-Damm. Such deformation history demonstrates the same episode of Neoproterozoic deformation exhibited in the NE-trending shear zones in the Arabian-Nubian Shield (ANS).

An Extended N-Player Network Game and Simulation of Four Investment Strategies on a Complex Innovation Network.

Science.gov (United States)

Zhou, Wen; Koptyug, Nikita; Ye, Shutao; Jia, Yifan; Lu, Xiaolong

2016-01-01

As computer science and complex network theory develop, non-cooperative games and their formation and application on complex networks have been important research topics. In the inter-firm innovation network, it is a typical game behavior for firms to invest in their alliance partners. Accounting for the possibility that firms can be resource constrained, this paper analyzes a coordination game using the Nash bargaining solution as allocation rules between firms in an inter-firm innovation network. We build an extended inter-firm n-player game based on nonidealized conditions, describe four investment strategies and simulate the strategies on an inter-firm innovation network in order to compare their performance. By analyzing the results of our experiments, we find that our proposed greedy strategy is the best-performing in most situations. We hope this study provides a theoretical insight into how firms make investment decisions.

An Extended N-Player Network Game and Simulation of Four Investment Strategies on a Complex Innovation Network.

Directory of Open Access Journals (Sweden)

Wen Zhou

Full Text Available As computer science and complex network theory develop, non-cooperative games and their formation and application on complex networks have been important research topics. In the inter-firm innovation network, it is a typical game behavior for firms to invest in their alliance partners. Accounting for the possibility that firms can be resource constrained, this paper analyzes a coordination game using the Nash bargaining solution as allocation rules between firms in an inter-firm innovation network. We build an extended inter-firm n-player game based on nonidealized conditions, describe four investment strategies and simulate the strategies on an inter-firm innovation network in order to compare their performance. By analyzing the results of our experiments, we find that our proposed greedy strategy is the best-performing in most situations. We hope this study provides a theoretical insight into how firms make investment decisions.

Phase behaviour and structure of stable complexes of oppositely charged polyelectrolytes

Science.gov (United States)

Mengarelli, V.; Auvray, L.; Zeghal, M.

2009-03-01

We study the formation and structure of stable electrostatic complexes between oppositely charged polyelectrolytes, a long polymethacrylic acid and a shorter polyethylenimine, at low pH, where the polyacid is weakly charged. We explore the phase diagram as a function of the charge and concentration ratio of the constituents. In agreement with theory, turbidity and ζ potential measurements show two distinct regimes of weak and strong complexation, which appear successively as the pH is increased and are separated by a well-defined limit. Weak complexes observed by neutron scattering and contrast matching have an open, non-compact structure, while strong complexes are condensed.

Park Volcanics, Murihiku Terrane, New Zealand : petrology, petrochemistry, and tectonic significance

International Nuclear Information System (INIS)

Coombs, D.S.; Cook, N.D.J.; Kawachi, Y.; Johnstone, R.D.; Gibson, I.L.

1996-01-01

The Late Triassic to Early Jurassic Park Volcanics Group comprises minor shallow intrusive and extrusive bodies emplaced during mainly marine sedimentation of the Murihiku Terrane, southern New Zealand. Gowan Andesite in western Southland and Glenham Porphyry andesites in eastern Southland are high-K andesites. Glassy examples have commonly lost K during alteration. Orthoclase contents of Or 3.6-3.7 in plagioclase phenocrysts at An 50 confirm the high-K nature of the melts at the time of phenocryst crystallisation. The Gowan andesites have higher Fe/Mg than the Glenham and related differences in minor element chemistry suggesting lower ∫O 2 during fractionation of the parent magma. Pinney Volcanics in western Southland are mostly high-K trachydacites but, like Glenham Porphyry, include minor rhyolite. Barnicoat Andesite in the Nelson area is medium-K olivine andesite, marginally tholeiitic in terms of its FeO*/MgO versus SiO 2 behaviour, but otherwise is typically calc-alkaline, as are the Gowan, Glenham, and Pinney. Analyses of pyroxenes (augites, orthopyroxenes, reaction rim and groundmass pigeonites) reveal xenocrysts recording an early stage of magma fractionation, slight iron enrichment in the andesite stage, and lowered Fe/Mg and increased Ca contents in augites of the most felsic rocks. Titanian tschermakite and titanian magnesio-tschermakite of deep-seated origin participated in fractionation leading to the Pinney Volcanics, and magnesio-hornblende, edenite, and biotite crystallised as minor late stage minerals following high-level emplacement of Gowan Andesite and siliceous Glenham Porphyry members. Low 87 Sr/ 86 Sr ratios (c. 0.7034-0.7037), REE and multi-element distribution patterns, and the mineralogical features collectively suggest fractionation of the andesites from parental basalt originating in an enriched mantle wedge above a subduction zone, with minimal contamination by continental crust. High-K andesites appear to be unknown in clearly

EXANA, a program for analysing EXtended energy loss fine structures, EXELFS spectra

International Nuclear Information System (INIS)

Tafreshi, M.A.; Bohm, C.; Csillag, S.

1992-09-01

This paper is a users guide and reference manual for the EXANA, an IBM or IBM compatible PC-based program used for analysing extended fine structures occurring on the high energy side of the ionisation edges. The RDF (Radial Distance Function) obtained from this analysis contains information about the number, distance, and type of the nearby atoms, as well as the inelastic mean free path and disorder in distances from the centre atom to the atoms in a atomic shell around it. The program can be made available on request. (au)

Extended Group Contribution Model for Polyfunctional Phase Equilibria

DEFF Research Database (Denmark)

Abildskov, Jens

of physical separation processes. In a thermodynamic sense, design requires detailed knowledge of activity coefficients in the phases at equilibrium. The prediction of these quantities from a minimum of experimental data is the broad scope of this thesis. Adequate equations exist for predicting vapor......Material and energy balances and equilibrium data form the basis of most design calculations. While material and energy balances may be stated without much difficulty, the design engineer is left with a choice between a wide variety of models for describing phase equilibria in the design......-liquid equilibria from data on binary mixtures, composed of structurally simple molecules with a single functional group. More complex is the situation with mixtures composed of structurally more complicated molecules or molecules with more than one functional group. The UNIFAC method is extended to handle...

Preparation and structural studies on organotin(IV) complexes with flavonoids

International Nuclear Information System (INIS)

Nagy, L.; Christy, A.A.; Sletten, E.; Andersen, Q.M.; Edelmann, F.T.

1998-01-01

Fourteen complexes of di-n-butyltin(IV) 2+ cations with flavonoid glycosides (rutin, hesperidin, 2',4',3-trihydroxy-5',4-dimetoxychalkone 4-rutinoside) and flavonoid aglycones (quercetin, morin, hesperitin and sorte flavones) were prepared. The composition of the complexes was determined by standard analytical methods. The results showed that complexes containing diorganotin(IV) 2+ moiety and the ligand in 1:1, 2:1 or 3:1 ratio are formed. The FTIR spectra were consistent with the presence of Sn-O (phenol or carbohydrate) vibration in the compounds. The structure of the complexes was measured by Moessbauer spectroscopy. Comparison of the experimental quadrupole splitting with those calculated on the basis of partial quadrupole splitting concept revealed that the complexes are of four types: with the central tin atoms surrounded by donor atoms in a purely trigonal-bipyramidal, octahedral+trigonal-bipyramidal, trigonal-bipyramidal+tetrahedral and octahedral+tetrahedral arrangement. This procedure also distinguished between the different structural isomers of both trigonal-bipyramidal and octahedral complexes. Conclusions could therefore be drawn on the factors determining which of the isomers are formed in the systems. The Moessbauer parameters obtained for organotin(IV)-flavonoid complexes were compared with those measured for organotin(IV)-carbohydrate complexes. (author)

Two different zinc sites in bovine 5-aminolevulinate dehydratase distinguished by extended x-ray absorption fine structure

International Nuclear Information System (INIS)

Dent, A.J.; Hasnain, S.S.; Beyersmann, D.; Block, C.

1990-01-01

The zinc coordination in 5-aminolevulinate dehydratase was investigated by extended x-ray absorption fine structure (EXAFS) associated with the zinc K-edge. The enzyme binds 8 mol of zinc/mol of octameric protein, but only four zinc ions seem sufficient for full activity. The authors have undertaken a study on four forms of the enzyme: (a) the eight-zinc native enzyme; (b) the enzyme with only the four zinc sites necessary for full activation occupied; (c) the enzyme with the vacant sites of (b) occupied by four lead ions; (d) the product complex between (b) and porphobilinogen. They have shown that two structurally distinct types of zinc sites are available in the enzyme. The site necessary for activity has an average zinc environment best described by two/three histidines and one/zero oxygen from a group such as tyrosine or a solvent molecule at 2.06 ± 0.02 angstrom, one tyrosine or aspartate at 1.91 ± 0.03 angstrom, and one cysteine sulfur at 2.32 ± 0.03 angstrom with a total coordination of five ligands. The unoccupied site in (b) is dominated by a single contribution of four cysteinyl sulfur atoms at 2.28 ± 0.02 angstrom. Spectra from samples (c) and (d) show only small changes from that of (b), reflecting a slight rearrangement of the ligands around the zinc atom

The genesis of surficial uranium deposits

International Nuclear Information System (INIS)

Boyle, D.R.

1984-01-01

Surficial uranium deposits can form in such diverse environments as calcareous-dolomitic-gypsiferous fluvial and aeolian valley sediments in hot arid and semi-arid regions, oxidizing and reducing alkaline and saline playas, highly organic and/or clay-rich wetland areas, calcareous regoliths in arid terranes, laterites, lake sediments, and highly fractured zones in igneous and metamorphic basement complexes. Formation of ore is governed by the interrelationships between source of ore-forming elements, mechanisms of migration, environment of deposition, climate, preservation, tectonic history and structural framework. The principal factors controlling mobilization of ore-forming elements from source to site of deposition are the availability of elements in source rocks, presence of complexing agents, climate, nature of source rock regolith and structure of source rock terrane. The major processes governing precipitation of uranium in the surficial environment are reduction mechanisms, sorption processes, dissociation of uranyl complexes, change in redox states of ore-forming constituents, evaporation of surface and groundwaters, change in partial pressure of dissolved carbon dioxide, changes in pH, colloidal precipitation, and mixing of two or more surface and groundwaters. One or a number of these processes may be actively involved in ore formation. (author)

Optimal map of the modular structure of complex networks

International Nuclear Information System (INIS)

Arenas, A; Borge-Holthoefer, J; Gomez, S; Zamora-Lopez, G

2010-01-01

The modular structure is pervasive in many complex networks of interactions observed in natural, social and technological sciences. Its study sheds light on the relation between the structure and the function of complex systems. Generally speaking, modules are islands of highly connected nodes separated by a relatively small number of links. Every module can have the contributions of links from any node in the network. The challenge is to disentangle these contributions to understand how the modular structure is built. The main problem is that the analysis of a certain partition into modules involves, in principle, as much data as the number of modules times the number of nodes. To confront this challenge, here we first define the contribution matrix, the mathematical object containing all the information about the partition of interest, and then we use truncated singular value decomposition to extract the best representation of this matrix in a plane. The analysis of this projection allows us to scrutinize the skeleton of the modular structure, revealing the structure of individual modules and their interrelations.

Structure of bimetallic clusters. Extended x-ray absorption fine structure (EXAFS) studies of Rh--Cu clusters

International Nuclear Information System (INIS)

Meitzner, G.; Via, G.H.; Lytle, F.W.; Sinfelt, J.H.

1983-01-01

An investigation of the structure of the bimetallic clusters present in rhodium--copper catalysts was conducted with the use of extended x-ray absorption fine structure (EXAFS) measurements. Two catalysts were studied, both employing silica as a support for the clusters and both containing 1 wt. % rhodium. In one catalyst the Cu:Rh atomic ratio was 1:2 and in the other 1:1. Studies were made of the EXAFS associated with the K absorption edges of the rhodium and copper. The results of the EXAFS studies indicate that copper concentrates at the surface of the rhodium--copper clusters. In this regard the results are similar to our earlier reported results on ruthenium--copper clusters. However, the extent of surface segregation of the copper appears to be less pronounced for rhodium--copper clusters. This result is reasonable on the basis that rhodium and copper, unlike ruthenium and copper, exhibit at least some miscibility in the bulk

Structure of valinomycin and its complexes

Czech Academy of Sciences Publication Activity Database

Hašek, Jindřich; Makrlík, E.; Dušek, Michal; Císařová, I.; Dohnálek, Jan; Dušková, Jarmila; Skálová, Tereza

2009-01-01

Roč. 16, 2a (2009), s. 30-31 ISSN 1211-5894. [Struktura - Colloquium of Czech and Slovak Crystallographic Association. Hluboká nad Vltavou, 22.06.2009-25.06.2009] R&D Projects: GA ČR GA305/07/1073; GA AV ČR IAA500500701 Institutional research plan: CEZ:AV0Z40500505; CEZ:AV0Z10100521 Keywords : valinomycin * complex * structure 8 hydration Subject RIV: CD - Macromolecular Chemistry

Extended Rindler spacetime and a new multiverse structure

Science.gov (United States)

Araya, Ignacio J.; Bars, Itzhak

2018-04-01

This is the first of a series of papers in which we use analyticity properties of quantum fields propagating on a spacetime to uncover a new multiverse geometry when the classical geometry has horizons and/or singularities. The nature and origin of the "multiverse" idea presented in this paper, that is shared by the fields in the standard model coupled to gravity, are different from other notions of a multiverse. Via analyticity we are able to establish definite relations among the universes. In this paper we illustrate these properties for the extended Rindler space, while black hole spacetime and the cosmological geometry of mini-superspace (see Appendix B) will appear in later papers. In classical general relativity, extended Rindler space is equivalent to flat Minkowski space; it consists of the union of the four wedges in (u ,v ) light-cone coordinates as in Fig. 1. In quantum mechanics, the wavefunction is an analytic function of (u ,v ) that is sensitive to branch points at the horizons u =0 or v =0 , with branch cuts attached to them. The wave function is uniquely defined by analyticity on an infinite number of sheets in the cut analytic (u ,v ) spacetime. This structure is naturally interpreted as an infinite stack of identical Minkowski geometries, or "universes", connected to each other by analyticity across branch cuts, such that each sheet represents a different Minkowski universe when (u ,v ) are analytically continued to the real axis on any sheet. We show in this paper that, in the absence of interactions, information does not flow from one Rindler sheet to another. By contrast, for an eternal black hole spacetime, which may be viewed as a modification of Rindler that includes gravitational interactions, analyticity shows how information is "lost" due to a flow to other universes, enabled by an additional branch point and cut due to the black hole singularity.

Histoire de la dénudation dans le corridor du loch Ness (Écosse) : mouvements verticaux différentiels le long de la Great Glen Fault

Science.gov (United States)

Jolivet, Marc

2007-02-01

The Great Glen Fault (GGF) is a major lithospheric strike-slip fault system that cuts across the Caledonian orogenic belt of Scotland. It separates the Northern Highlands terrane from the Grampian terrane. Movement history along the fault extends at least into the Early Palaeozoic. The low-temperature history of the Scottish Highlands covers a significant period from the Late Palaeozoic to the Present, but the magnitude of vertical movements that affected the GGF area during that time is still a matter of debate. Fission track analysis on detailed vertical profiles in the Ballachulish and Strontian complexes, as well as on a profile oriented northeastwards across the GGF, reveals distributed differential vertical movements along the fault during the Late Palaeozoic. The Mesozoic denudation is estimated at a maximum of 2 km before a more recent widespread exhumation event that started at around 40-25 Ma, leading to 1.6 to 2 km of erosion.

Map Showing Geologic Terranes of the Hailey 1°x2° Quadrangle and the western part of the Idaho Falls 1°x2° Quadrangle, south-central Idaho

Data.gov (United States)

Department of the Interior — The paper version of Map Showing Geologic Terranes of the Hailey 1°x2° Quadrangle and the western part of the Idaho Falls 1°x2° Quadrangle, south-central Idaho was...

The structure of the muscle protein complex 4Ca2+. Tronponin C*troponin: A Monte Carlo modeling analysis of small-angle X-ray and neutron scattering data

International Nuclear Information System (INIS)

Olah, G.A.; Trewhella, J.

1995-01-01

Analysis of scattering data based on a Monte Carlo integration method was used to obtain a low resolution model of the 4Ca2+.troponin c.troponin I complex. This modeling method allows rapid testing of plausible structures where the best fit model can be ascertained by a comparison between model structure scattering profiles and measured scattering data. In the best fit model, troponin I appears as a spiral structure that wraps about 4CA2+.trophonin C which adopts an extended dumbell conformation similar to that observed in the crystal structures of troponin C. The Monte Carlo modeling method can be applied to other biological systems in which detailed structural information is lacking

Photoelectron spectra and electronic structure of some spiroborate complexes

Energy Technology Data Exchange (ETDEWEB)

Vovna, V.I.; Tikhonov, S.A.; Lvov, I.B., E-mail: lvov.ib@dvfu.ru; Osmushko, I.S.; Svistunova, I.V.; Shcheka, O.L.

2014-12-15

Highlights: • The electronic structure of three spiroborate complexes—boron 1,2-dioxyphenylene β-diketonates has been investigated. • UV and X-ray photoelectron spectra have been interpreted. • DFT calculations have been used for interpretation of spectral bands. • The binding energy of nonequivalent carbon and oxygen atoms were measured. • The structure of X-ray photoelectron spectra of the valence electrons is in good agreement with the energies and composition of Kohn–Sham orbitals. - Abstract: The electronic structure of the valence and core levels of three spiroborate complexes – boron 1,2-dioxyphenylene β-diketonates – has been investigated by methods of UV and X-ray photoelectron spectroscopy and quantum chemical density functional theory. The ionization energy of π- and n-orbitals of the dioxyphenylene fragment and β-diketonate ligand were measured from UV photoelectron spectra. This made it possible to determine the effect of substitution of one or two methyl groups by the phenyl in diketone on the electronic structure of complexes. The binding energy of nonequivalent carbon and oxygen atoms were measured from X-ray photoelectron spectra. The results of calculations of the energy of the valence orbitals of complexes allowed us to refer bands observed in the spectra of the valence electrons to the 2s-type levels of carbon and oxygen.

Synthesis, structures, and luminescent properties of lanthanide complexes with triphenylphospine oxide

Energy Technology Data Exchange (ETDEWEB)

Ma, Yan; Xu, Shan; Wang, Xin; Li, Yue-Xue; Jin, Qiong-Hua [Department of Chemistry, Capital Normal University, Beijing (China); Liu, Min [The College of Materials Science and Engineering, Beijing University of Technology (China); Xin, Xiu-Lan [School of Food and Chemical Engineering, Beijing Technology and Business University (China)

2017-07-03

Seven lanthanide complexes [Ln(OPPh{sub 3}){sub 3}(NO{sub 3}){sub 3}] (1-3) (OPPh{sub 3} = triphenylphosphine oxide, Ln = Nd, Sm, Gd), [Dy(OPPh{sub 3}){sub 4}(NO{sub 3}){sub 2}](NO{sub 3}) (4), [Ln(OPPh{sub 3}){sub 3}(NO{sub 3}){sub 3}]{sub 2} (5-7) (Ln = Pr, Eu, Gd) were synthesized by the reactions of different lanthanide salts and OPPh{sub 3} ligand in the air. These complexes were characterized by single-crystal X-ray diffraction analysis, elemental analysis, IR and fluorescence spectra. Structure analysis shows that complexes 1-4 are mononuclear complexes formed by OPPh{sub 3} ligands and nitrates. The asymmetric units of complexes 5-7 consist of two crystallographic-separate molecules. Complex 1 is self-assembled to construct a 2D layer-structure of (4,4) net topology by hydrogen bond interactions. The other complexes show a 1D chain-like structure that was assembled by OPPh{sub 3} ligands and nitrate ions through C-H..O interactions. Solid emission spectra of compounds 4 and 6 are assigned to the characteristic fluorescence of Tb{sup 3+} (λ{sub em} = 480, 574 nm) and Eu{sup 3+} (λ{sub em} = 552, 593, 619, 668 nm). (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Bim Automation: Advanced Modeling Generative Process for Complex Structures

Science.gov (United States)

Banfi, F.; Fai, S.; Brumana, R.

2017-08-01

The new paradigm of the complexity of modern and historic structures, which are characterised by complex forms, morphological and typological variables, is one of the greatest challenges for building information modelling (BIM). Generation of complex parametric models needs new scientific knowledge concerning new digital technologies. These elements are helpful to store a vast quantity of information during the life cycle of buildings (LCB). The latest developments of parametric applications do not provide advanced tools, resulting in time-consuming work for the generation of models. This paper presents a method capable of processing and creating complex parametric Building Information Models (BIM) with Non-Uniform to NURBS) with multiple levels of details (Mixed and ReverseLoD) based on accurate 3D photogrammetric and laser scanning surveys. Complex 3D elements are converted into parametric BIM software and finite element applications (BIM to FEA) using specific exchange formats and new modelling tools. The proposed approach has been applied to different case studies: the BIM of modern structure for the courtyard of West Block on Parliament Hill in Ottawa (Ontario) and the BIM of Masegra Castel in Sondrio (Italy), encouraging the dissemination and interaction of scientific results without losing information during the generative process.

Electronic structure of the [MNH2]+ (M = Sc-Cu) complexes.

Science.gov (United States)

Hendrickx, Marc F A; Clima, Sergiu

2006-11-23

B3LYP geometry optimizations for the [MNH2]+ complexes of the first-row transition metal cations (Sc+-Cu+) were performed. Without any exception the ground states of these unsaturated amide complexes were calculated to possess planar geometries. CASPT2 binding energies that were corrected for zero-point energies and including relativistic effects show a qualitative trend across the series that closely resembles the experimental observations. The electronic structures for the complexes of the early and middle transition metal cations (Sc+-Co+) differ from the electronic structures derived for the complexes of the late transition metal cations (Ni+ and Cu+). For the former complexes the relative higher position of the 3d orbitals above the singly occupied 2p(pi) HOMO of the uncoordinated NH2 induces an electron transfer from the 3d shell to 2p(pi). The stabilization of the 3d orbitals from the left to the right along the first-row transition metal series causes these orbitals to become situated below the HOMO of the NH2 ligand for Ni+ and Cu+, preventing a transfer from occurring in the [MNH2]+ complexes of these metal cations. Analysis of the low-lying states of the amide complexes revealed a rather unique characteristic of their electronic structures that was found across the entire series. Rather exceptionally for the whole of chemistry, pi-type interactions were calculated to be stronger than the corresponding sigma-type interactions. The origin of this extraordinary behavior can be ascribed to the low-lying sp2 lone pair orbital of the NH2 ligand with respect to the 3d level.

Structural insight into the UNC-45–myosin complex

DEFF Research Database (Denmark)

Fratev, Filip; Jonsdottir, Svava Osk; Pajeva, Ilza

2013-01-01

The UNC-45 chaperone protein interacts with and affects the folding, stability, and the ATPase activity of myosins. It plays a critical role in the cardiomyopathy development and in the breast cancer tumor growth. Here we propose the first structural model of the UNC-45–myosin complex using various...... is mainly stabilized by electrostatic interactions. Remarkably, the contact surface area is similar to that of the myosinactin complex. A significant interspecies difference in the myosin binding epitope is observed. Our results reveal the structural basis of MYH7 exons 15–16 hypertrophic cardiomyopathy...... mutations and provide directions for drug targeting. © 2013 Wiley Periodicals, Inc....

Structural basis for energy transduction by respiratory alternative complex III.

Science.gov (United States)

Sousa, Joana S; Calisto, Filipa; Langer, Julian D; Mills, Deryck J; Refojo, Patrícia N; Teixeira, Miguel; Kühlbrandt, Werner; Vonck, Janet; Pereira, Manuela M

2018-04-30

Electron transfer in respiratory chains generates the electrochemical potential that serves as energy source for the cell. Prokaryotes can use a wide range of electron donors and acceptors and may have alternative complexes performing the same catalytic reactions as the mitochondrial complexes. This is the case for the alternative complex III (ACIII), a quinol:cytochrome c/HiPIP oxidoreductase. In order to understand the catalytic mechanism of this respiratory enzyme, we determined the structure of ACIII from Rhodothermus marinus at 3.9 Å resolution by single-particle cryo-electron microscopy. ACIII presents a so-far unique structure, for which we establish the arrangement of the cofactors (four iron-sulfur clusters and six c-type hemes) and propose the location of the quinol-binding site and the presence of two putative proton pathways in the membrane. Altogether, this structure provides insights into a mechanism for energy transduction and introduces ACIII as a redox-driven proton pump.

Complex regression Doppler optical coherence tomography

Science.gov (United States)

Elahi, Sahar; Gu, Shi; Thrane, Lars; Rollins, Andrew M.; Jenkins, Michael W.

2018-04-01

We introduce a new method to measure Doppler shifts more accurately and extend the dynamic range of Doppler optical coherence tomography (OCT). The two-point estimate of the conventional Doppler method is replaced with a regression that is applied to high-density B-scans in polar coordinates. We built a high-speed OCT system using a 1.68-MHz Fourier domain mode locked laser to acquire high-density B-scans (16,000 A-lines) at high enough frame rates (˜100 fps) to accurately capture the dynamics of the beating embryonic heart. Flow phantom experiments confirm that the complex regression lowers the minimum detectable velocity from 12.25 mm / s to 374 μm / s, whereas the maximum velocity of 400 mm / s is measured without phase wrapping. Complex regression Doppler OCT also demonstrates higher accuracy and precision compared with the conventional method, particularly when signal-to-noise ratio is low. The extended dynamic range allows monitoring of blood flow over several stages of development in embryos without adjusting the imaging parameters. In addition, applying complex averaging recovers hidden features in structural images.

Crystal Structure of Human Factor VIII: Implications for the Formation of the Factor IXa-Factor VIIIa Complex

Energy Technology Data Exchange (ETDEWEB)

Ngo, J.C.; Huang, M.; Roth, D.A.; Furie, B.C.; Furie, B. (Wyeth); (MBL)

2008-06-03

Factor VIII is a procofactor that plays a critical role in blood coagulation, and is missing or defective in hemophilia A. We determined the X-ray crystal structure of B domain-deleted human factor VIII. This protein is composed of five globular domains and contains one Ca{sup 2+} and two Cu{sup 2+} ions. The three homologous A domains form a triangular heterotrimer where the A1 and A3 domains serve as the base and interact with the C2 and C1 domains, respectively. The structurally homologous C1 and C2 domains reveal membrane binding features. Based on biochemical studies, a model of the factor IXa-factor VIIIa complex was constructed by in silico docking. Factor IXa wraps across the side of factor VIII, and an extended interface spans the factor VIII heavy and light chains. This model provides insight into the activation of factor VIII and the interaction of factor VIIIa with factor IXa on the membrane surface.

Crystal Structure of Human Factor VIII: Implications for the Formation of the Factor IXa-Factor VIIIa Complex

Energy Technology Data Exchange (ETDEWEB)

Chi Ki Ngo,J.; Huang, M.; Roth, D.; Furie, B.; Furie, B.

2008-01-01

Factor VIII is a procofactor that plays a critical role in blood coagulation, and is missing or defective in hemophilia A. We determined the X-ray crystal structure of B domain-deleted human factor VIII. This protein is composed of five globular domains and contains one Ca(2+) and two Cu(2+) ions. The three homologous A domains form a triangular heterotrimer where the A1 and A3 domains serve as the base and interact with the C2 and C1 domains, respectively. The structurally homologous C1 and C2 domains reveal membrane binding features. Based on biochemical studies, a model of the factor IXa-factor VIIIa complex was constructed by in silico docking. Factor IXa wraps across the side of factor VIII, and an extended interface spans the factor VIII heavy and light chains. This model provides insight into the activation of factor VIII and the interaction of factor VIIIa with factor IXa on the membrane surface.

Model-based flaw localization from perturbations in the dynamic response of complex mechanical structures

Energy Technology Data Exchange (ETDEWEB)

Chambers, D H

2009-02-24

A new method of locating structural damage using measured differences in vibrational response and a numerical model of the undamaged structure has been presented. This method is particularly suited for complex structures with little or no symmetry. In a prior study the method successively located simulated damage from measurements of the vibrational response on two simple structures. Here we demonstrate that it can locate simulated damage in a complex structure. A numerical model of a complex structure was used to calculate the structural response before and after the introduction of a void. The method can now be considered for application to structures of programmatic interest. It could be used to monitor the structural integrity of complex mechanical structures and assemblies over their lifetimes. This would allow early detection of damage, when repair is relatively easy and inexpensive. It would also allow one to schedule maintenance based on actual damage instead of a time schedule.

An Extended Newmark-FDTD Method for Complex Dispersive Media

Directory of Open Access Journals (Sweden)

Yu-Qiang Zhang

2018-01-01

Full Text Available Based on polarizability in the form of a complex quadratic rational function, a novel finite-difference time-domain (FDTD approach combined with the Newmark algorithm is presented for dealing with a complex dispersive medium. In this paper, the time-stepping equation of the polarization vector is derived by applying simultaneously the Newmark algorithm to the two sides of a second-order time-domain differential equation obtained from the relation between the polarization vector and electric field intensity in the frequency domain by the inverse Fourier transform. Then, its accuracy and stability are discussed from the two aspects of theoretical analysis and numerical computation. It is observed that this method possesses the advantages of high accuracy, high stability, and a wide application scope and can thus be applied to the treatment of many complex dispersion models, including the complex conjugate pole residue model, critical point model, modified Lorentz model, and complex quadratic rational function.

DFT and EXAFS, mutually enhancing tools for structure elucidation of Tc complexes

International Nuclear Information System (INIS)

Breynaert, E.; Bruggeman, C.; Maes, A.

2005-01-01

Full text of publication follows: The redox-sensitive fission product technetium-99 (Tc) is of great interest in nuclear waste disposal studies because of its potential for contaminating the geosphere due to its very long half-life (2.13 x 10 5 year) and high mobility under oxidising conditions, where technetium forms pertechnetate (TcO 4 - ). Under suitable reducing conditions, e.g. in the presence of an iron(II) containing solid phase which can act as an electron donor, the solubility can be limited by the reduction of pertechnetate followed by the formation of a surface precipitate [1]. However, by association with mobile humic substances (HS) or other associating/complexing species, the solubility of reduced Tc species may be drastically enhanced [2]. The elucidation of the identity and geometrical structure of the species causing this enhanced solubility often remains a difficult issue. Extended X-Ray Absorption Fluorescence Spectroscopy/ X-Ray Absorption Near Edge Spectroscopy (EXAFS/XANES) analysis can be very helpful to determine the molecular surroundings of reduced Tc organic complexes of Tc(IV) colloid-HS-associations. The interpretation of the EXAFS spectra is however not a straightforward process due to the possibly strong influence of multiple scattering paths on the spectra. Contrary to single scattering analysis which can be easily performed on the experimental EXAFS spectra, multiple scattering analysis can only be done, based on good approximations of the possible geometrical structures of the species under consideration. It has been shown that the Density Functional Theory (DFT) can be used to perform geometry optimizations of technetium species and therefore can be utilized to predict the structure of technetium complexes [3]. The success and computational effort needed for such structure predictions are however highly dependant on the quality of the initial structure from which the geometry optimization is started. Single scattering analysis of

Structure solution of DNA-binding proteins and complexes with ARCIMBOLDO libraries

Energy Technology Data Exchange (ETDEWEB)

Pröpper, Kevin [University of Göttingen, (Germany); Instituto de Biologia Molecular de Barcelona (IBMB-CSIC), (Spain); Meindl, Kathrin; Sammito, Massimo [Instituto de Biologia Molecular de Barcelona (IBMB-CSIC), (Spain); Dittrich, Birger; Sheldrick, George M. [University of Göttingen, (Germany); Pohl, Ehmke, E-mail: ehmke.pohl@durham.ac.uk [Durham University, (United Kingdom); Usón, Isabel, E-mail: ehmke.pohl@durham.ac.uk [Instituto de Biologia Molecular de Barcelona (IBMB-CSIC), (Spain); Institucio Catalana de Recerca i Estudis Avancats (ICREA), (Spain); University of Göttingen, (Germany)

2014-06-01

The structure solution of DNA-binding protein structures and complexes based on the combination of location of DNA-binding protein motif fragments with density modification in a multi-solution frame is described. Protein–DNA interactions play a major role in all aspects of genetic activity within an organism, such as transcription, packaging, rearrangement, replication and repair. The molecular detail of protein–DNA interactions can be best visualized through crystallography, and structures emphasizing insight into the principles of binding and base-sequence recognition are essential to understanding the subtleties of the underlying mechanisms. An increasing number of high-quality DNA-binding protein structure determinations have been witnessed despite the fact that the crystallographic particularities of nucleic acids tend to pose specific challenges to methods primarily developed for proteins. Crystallographic structure solution of protein–DNA complexes therefore remains a challenging area that is in need of optimized experimental and computational methods. The potential of the structure-solution program ARCIMBOLDO for the solution of protein–DNA complexes has therefore been assessed. The method is based on the combination of locating small, very accurate fragments using the program Phaser and density modification with the program SHELXE. Whereas for typical proteins main-chain α-helices provide the ideal, almost ubiquitous, small fragments to start searches, in the case of DNA complexes the binding motifs and DNA double helix constitute suitable search fragments. The aim of this work is to provide an effective library of search fragments as well as to determine the optimal ARCIMBOLDO strategy for the solution of this class of structures.

Structural insights into the mycobacteria transcription initiation complex from analysis of X-ray crystal structures

Energy Technology Data Exchange (ETDEWEB)

Hubin, Elizabeth A.; Lilic, Mirjana; Darst, Seth A.; Campbell, Elizabeth A.

2017-07-13

The mycobacteria RNA polymerase (RNAP) is a target for antimicrobials against tuberculosis, motivating structure/function studies. Here we report a 3.2 Å-resolution crystal structure of a Mycobacterium smegmatis (Msm) open promoter complex (RPo), along with structural analysis of the Msm RPo and a previously reported 2.76 Å-resolution crystal structure of an Msm transcription initiation complex with a promoter DNA fragment. We observe the interaction of the Msm RNAP α-subunit C-terminal domain (αCTD) with DNA, and we provide evidence that the αCTD may play a role in Mtb transcription regulation. Our results reveal the structure of an Actinobacteria-unique insert of the RNAP β' subunit. Finally, our analysis reveals the disposition of the N-terminal segment of Msm σA, which may comprise an intrinsically disordered protein domain unique to mycobacteria. The clade-specific features of the mycobacteria RNAP provide clues to the profound instability of mycobacteria RPo compared with E. coli.

Analysis on complex structure stability under different bar angle with BIM technology

Directory of Open Access Journals (Sweden)

Wang Xiongjue

2016-03-01

Full Text Available Sun Valley, the landmark building of World Expo in Shanghai, which has free surface with single-layer reticulated shell structure, is a typical complex structure. CAD/CAM integrated information system to design is used for the complex structure; however, it is a very rigorous process to be used widely. The relevant technology of the Sun Valley is not open to the public at present, so we try to use BIM technology to model the Sun Valley, including architecture modelling and structure analysis. By analysis of the Sun Valley structure using this method, it is proved that the problems in modelling may be solved by writing some script codes in Rhino software and the stability of the model can also be analyzed. The new approach is viable and effective in combination with different softwares such as Rhino, Revit, and Midas in solution of the complex shaped surfaces’ structure for modelling and calculation.

Curvilinear immersed boundary method for simulating fluid structure interaction with complex 3D rigid bodies

Science.gov (United States)

Borazjani, Iman; Ge, Liang; Sotiropoulos, Fotis

2008-08-01

The sharp-interface CURVIB approach of Ge and Sotiropoulos [L. Ge, F. Sotiropoulos, A numerical method for solving the 3D unsteady incompressible Navier-Stokes equations in curvilinear domains with complex immersed boundaries, Journal of Computational Physics 225 (2007) 1782-1809] is extended to simulate fluid structure interaction (FSI) problems involving complex 3D rigid bodies undergoing large structural displacements. The FSI solver adopts the partitioned FSI solution approach and both loose and strong coupling strategies are implemented. The interfaces between immersed bodies and the fluid are discretized with a Lagrangian grid and tracked with an explicit front-tracking approach. An efficient ray-tracing algorithm is developed to quickly identify the relationship between the background grid and the moving bodies. Numerical experiments are carried out for two FSI problems: vortex induced vibration of elastically mounted cylinders and flow through a bileaflet mechanical heart valve at physiologic conditions. For both cases the computed results are in excellent agreement with benchmark simulations and experimental measurements. The numerical experiments suggest that both the properties of the structure (mass, geometry) and the local flow conditions can play an important role in determining the stability of the FSI algorithm. Under certain conditions the FSI algorithm is unconditionally unstable even when strong coupling FSI is employed. For such cases, however, combining the strong coupling iteration with under-relaxation in conjunction with the Aitken's acceleration technique is shown to effectively resolve the stability problems. A theoretical analysis is presented to explain the findings of the numerical experiments. It is shown that the ratio of the added mass to the mass of the structure as well as the sign of the local time rate of change of the force or moment imparted on the structure by the fluid determine the stability and convergence of the FSI

Structural design principles of complex bird songs: a network-based approach.

Directory of Open Access Journals (Sweden)

Kazutoshi Sasahara

Full Text Available Bird songs are acoustic communication signals primarily used in male-male aggression and in male-female attraction. These are often monotonous patterns composed of a few phrases, yet some birds have extremely complex songs with a large phrase repertoire, organized in non-random fashion with discernible patterns. Since structure is typically associated with function, the structures of complex bird songs provide important clues to the evolution of animal communication systems. Here we propose an efficient network-based approach to explore structural design principles of complex bird songs, in which the song networks--transition relationships among different phrases and the related structural measures--are employed. We demonstrate how this approach works with an example using California Thrasher songs, which are sequences of highly varied phrases delivered in succession over several minutes. These songs display two distinct features: a large phrase repertoire with a 'small-world' architecture, in which subsets of phrases are highly grouped and linked with a short average path length; and a balanced transition diversity amongst phrases, in which deterministic and non-deterministic transition patterns are moderately mixed. We explore the robustness of this approach with variations in sample size and the amount of noise. Our approach enables a more quantitative study of global and local structural properties of complex bird songs than has been possible to date.

The spectra of type IIB flux compactifications at large complex structure

International Nuclear Information System (INIS)

Brodie, Callum; Marsh, M.C. David

2016-01-01

We compute the spectra of the Hessian matrix, H, and the matrix M that governs the critical point equation of the low-energy effective supergravity, as a function of the complex structure and axio-dilaton moduli space in type IIB flux compactifications at large complex structure. We find both spectra analytically in an h − 1,2 +3 real-dimensional subspace of the moduli space, and show that they exhibit a universal structure with highly degenerate eigenvalues, independently of the choice of flux, the details of the compactification geometry, and the number of complex structure moduli. In this subspace, the spectrum of the Hessian matrix contains no tachyons, but there are also no critical points. We show numerically that the spectra of H and M remain highly peaked over a large fraction of the sampled moduli space of explicit Calabi-Yau compactifications with 2 to 5 complex structure moduli. In these models, the scale of the supersymmetric contribution to the scalar masses is strongly linearly correlated with the value of the superpotential over almost the entire moduli space, with particularly strong correlations arising for g s <1. We contrast these results with the expectations from the much-used continuous flux approximation, and comment on the applicability of Random Matrix Theory to the statistical modelling of the string theory landscape.

Structure-aided prediction of mammalian transcription factor complexes in conserved non-coding elements

KAUST Repository

Guturu, H.

2013-11-11

Mapping the DNA-binding preferences of transcription factor (TF) complexes is critical for deciphering the functions of cis-regulatory elements. Here, we developed a computational method that compares co-occurring motif spacings in conserved versus unconserved regions of the human genome to detect evolutionarily constrained binding sites of rigid TF complexes. Structural data were used to estimate TF complex physical plausibility, explore overlapping motif arrangements seldom tackled by non-structure-aware methods, and generate and analyse three-dimensional models of the predicted complexes bound to DNA. Using this approach, we predicted 422 physically realistic TF complex motifs at 18% false discovery rate, the majority of which (326, 77%) contain some sequence overlap between binding sites. The set of mostly novel complexes is enriched in known composite motifs, predictive of binding site configurations in TF-TF-DNA crystal structures, and supported by ChIP-seq datasets. Structural modelling revealed three cooperativity mechanisms: direct protein-protein interactions, potentially indirect interactions and \\'through-DNA\\' interactions. Indeed, 38% of the predicted complexes were found to contain four or more bases in which TF pairs appear to synergize through overlapping binding to the same DNA base pairs in opposite grooves or strands. Our TF complex and associated binding site predictions are available as a web resource at http://bejerano.stanford.edu/complex.

Structure-aided prediction of mammalian transcription factor complexes in conserved non-coding elements

KAUST Repository

Guturu, H.; Doxey, A. C.; Wenger, A. M.; Bejerano, G.

2013-01-01

Mapping the DNA-binding preferences of transcription factor (TF) complexes is critical for deciphering the functions of cis-regulatory elements. Here, we developed a computational method that compares co-occurring motif spacings in conserved versus unconserved regions of the human genome to detect evolutionarily constrained binding sites of rigid TF complexes. Structural data were used to estimate TF complex physical plausibility, explore overlapping motif arrangements seldom tackled by non-structure-aware methods, and generate and analyse three-dimensional models of the predicted complexes bound to DNA. Using this approach, we predicted 422 physically realistic TF complex motifs at 18% false discovery rate, the majority of which (326, 77%) contain some sequence overlap between binding sites. The set of mostly novel complexes is enriched in known composite motifs, predictive of binding site configurations in TF-TF-DNA crystal structures, and supported by ChIP-seq datasets. Structural modelling revealed three cooperativity mechanisms: direct protein-protein interactions, potentially indirect interactions and 'through-DNA' interactions. Indeed, 38% of the predicted complexes were found to contain four or more bases in which TF pairs appear to synergize through overlapping binding to the same DNA base pairs in opposite grooves or strands. Our TF complex and associated binding site predictions are available as a web resource at http://bejerano.stanford.edu/complex.

Crystal structure of the human 4-1BB/4-1BBL complex.

Science.gov (United States)

Gilbreth, Ryan N; Oganesyan, Vaheh Y; Amdouni, Hamza; Novarra, Shabazz; Grinberg, Luba; Barnes, Arnita; Baca, Manuel

2018-05-02

4-1BBL is a member of the TNF superfamily and is the ligand for the TNFRsuperfamily receptor, 4-1BB. 4-1BB plays an immunomodulatory role in T cells and NK cells and agonists of this receptor have garnered strong attention as potentialimmunotherapy agents. Broadly speaking, the structural features of TNF superfamilymembers, their receptors and ligand/receptor complexes are similar. However, apublished crystal structure of human 4-1BBL suggests that it may be unique in thisregard, exhibiting a three-bladed propeller-like trimer assembly that is distinctly different from that observed in other family members. This unusual structure also suggests that the human 4-1BB/4-1BBL complex may be structurally unique within the TNF/TNFR superfamily, but to date no structural data have been reported. Here we report the crystal structure of the human 4-1BB/4-1BBL complex at 2.4 Å resolution. In this structure, 4-1BBL does not adopt the unusual trimer assembly previously reported, but instead forms a canonical bell-shaped trimer typical of other TNF superfamily members. The structure of 4-1BB is also largely canonical as is the 4-1BB/4-1BBL complex. Mutational data support the 4-1BBL structure reported here as being biologically relevant, suggesting that the previously reported structure is not. Together, the data presented here offer insight into structure/function relationships in the 4-1BB/4-1BBL system and improve our structural understanding of the TNF/TNFR superfamily more broadly. Published under license by The American Society for Biochemistry and Molecular Biology, Inc.

Using remote sensing techniques and field-based structural analysis to explore new gold and associated mineral sites around Al-Hajar mine, Asir terrane, Arabian Shield

Science.gov (United States)

Sonbul, Abdullah R.; El-Shafei, Mohamed K.; Bishta, Adel Z.

2016-05-01

Modern earth resource satellites provide huge amounts of digital imagery at different resolutions. These satellite imageries are considered one of the most significant sources of data for mineral exploration. Image processing techniques were applied to the exposed rocks around the Al-Aqiq area of the Asir terrane in the southern part of the Arabian Shield. The area under study has two sub-parallel N-S trending metamorphic belts of green-schist facies. The first belt is located southeast of Al-Aqiq, where the Al-Hajar Gold Mine is situated. It is essentially composed of metavolcanics and metasedimentary rocks, and it is intruded by different plutonic rocks of primarily diorite, syenite and porphyritic granite. The second belt is located northwest of Al-Aqiq, and it is composed of metavolcanics and metasedimentary rocks and is intruded by granite bodies. The current study aimed to distinguish the lithological units, detect and map the alteration zones, and extract the major fault lineaments around the Al-Hajar gold prospect. Digital satellite imageries, including Landsat 7 ETM + multispectral and panchromatic and SPOT-5 were used in addition to field verification. Areas with similar spectral signatures to the prospect were identified in the nearby metamorphic belt; it was considered as a target area and was inspected in the field. The relationships between the alteration zones, the mineral deposits and the structural elements were used to locate the ore-bearing zones in the subsurface. The metasedimentary units of the target area showed a dextral-ductile shearing top-to-the-north and the presence of dominant mineralized quartz vein-system. The area to the north of the Al-Hajar prospect showed also sub-parallel shear zones along which different types of alterations were detected. Field-based criteria such as hydrothermal breccia, jasper, iron gossans and porphyritic granite strongly indicate the presence of porphyry-type ore deposits in Al-Hajar metamorphic belt that

Uncertainty Quantification for Complex RF-structures Using the State-space Concatenation Approach

CERN Document Server

Heller, Johann; Schmidt, Christian; Van Rienen, Ursula

2015-01-01

as well as to employ robust optimizations, a so-called uncertainty quantification (UQ) is applied. For large and complex structures such computations are heavily demanding and cannot be carried out using standard brute-force approaches. In this paper, we propose a combination of established techniques to perform UQ for long and complex structures, where the uncertainty is located only in parts of the structure. As exemplary structure, we investigate the third-harmonic cavity, which is being used at the FLASH accelerator at DESY, assuming an uncertain...

Resolving complex chromosome structures during meiosis: versatile deployment of Smc5/6

NARCIS (Netherlands)

Verver, Dideke E.; Hwang, Grace H.; Jordan, Philip W.; Hamer, Geert

2016-01-01

The Smc5/6 complex, along with cohesin and condensin, is a member of the structural maintenance of chromosome (SMC) family, large ring-like protein complexes that are essential for chromatin structure and function. Thanks to numerous studies of the mitotic cell cycle, Smc5/6 has been implicated to

Size reduction of complex networks preserving modularity

Energy Technology Data Exchange (ETDEWEB)

Arenas, A.; Duch, J.; Fernandez, A.; Gomez, S.

2008-12-24

The ubiquity of modular structure in real-world complex networks is being the focus of attention in many trials to understand the interplay between network topology and functionality. The best approaches to the identification of modular structure are based on the optimization of a quality function known as modularity. However this optimization is a hard task provided that the computational complexity of the problem is in the NP-hard class. Here we propose an exact method for reducing the size of weighted (directed and undirected) complex networks while maintaining invariant its modularity. This size reduction allows the heuristic algorithms that optimize modularity for a better exploration of the modularity landscape. We compare the modularity obtained in several real complex-networks by using the Extremal Optimization algorithm, before and after the size reduction, showing the improvement obtained. We speculate that the proposed analytical size reduction could be extended to an exact coarse graining of the network in the scope of real-space renormalization.

A new entropy based method for computing software structural complexity

International Nuclear Information System (INIS)

Roca, Jose L.

2002-01-01

In this paper a new methodology for the evaluation of software structural complexity is described. It is based on the entropy evaluation of the random uniform response function associated with the so called software characteristic function SCF. The behavior of the SCF with the different software structures and their relationship with the number of inherent errors is investigated. It is also investigated how the entropy concept can be used to evaluate the complexity of a software structure considering the SCF as a canonical representation of the graph associated with the control flow diagram. The functions, parameters and algorithms that allow to carry out this evaluation are also introduced. After this analytic phase follows the experimental phase, verifying the consistency of the proposed metric and their boundary conditions. The conclusion is that the degree of software structural complexity can be measured as the entropy of the random uniform response function of the SCF. That entropy is in direct relationship with the number of inherent software errors and it implies a basic hazard failure rate for it, so that a minimum structure assures a certain stability and maturity of the program. This metric can be used, either to evaluate the product or the process of software development, as development tool or for monitoring the stability and the quality of the final product. (author)

The 2.0-A resolution structure of soybean beta-amylase complexed with alpha-cyclodextrin.

Science.gov (United States)

Mikami, B; Hehre, E J; Sato, M; Katsube, Y; Hirose, M; Morita, Y; Sacchettini, J C

1993-07-13

New crystallographic findings are presented which offer a deeper understanding of the structure and functioning of beta-amylase, the first known exo-type starch-hydrolyzing enzyme. A refined three-dimensional structure of soybean beta-amylase, complexed with the inhibitor alpha-cyclodextrin, has been determined at 2.0-A resolution with a conventional R-value of 17.5%. The model contains 491 amino acid residues, 319 water molecules, 1 sulfate ion, and 1 alpha-cyclodextrin molecule. The protein consists of a core with an (alpha/beta)8 supersecondary structure, plus a smaller globular region formed by long loops (L3, L4, and L5) extending from beta-strands beta 3, beta 4, and beta 5. Between the two regions is a cleft that opens into a pocket whose floor contains the postulated catalytic center near the carboxyl group of Glu 186. The annular alpha-cyclodextrin binds in (and partly projects from) the cleft with its glucosyl O-2/O-3 face abutting the (alpha/beta)8 side and with its alpha-D(1 --> 4) glucosidic linkage progression running clockwise as viewed from that side. The ligand does not bind deeply enough to interact with the carboxyl group of Glu 186. Rather, it occupies most of the cleft entrance, strongly suggesting that alpha-cyclodextrin inhibits catalysis by blocking substrate access to the more deeply located reaction center. Of the various alpha-cyclodextrin interactions with protein residues in loops L4, L5, L6, and L7, most notable is the shallow inclusion complex formed with Leu 383 (in L7, on the core side of the cleft) through contacts of its methyl groups with the C-3 atoms of four of the ligand's D-glucopyranosyl residues. All six residues of the bound alpha-cyclodextrin are of 4C1 conformation and are joined by alpha-1,4 linkages with similar torsional angles to form a nearly symmetrical torus as reported for crystalline inclusion complexes with alpha-cyclodextrin. We envision a significant role for the methyl groups of Leu 383 at the cleft entrance

Extended thermodynamics

CERN Document Server

Müller, Ingo

1993-01-01

Physicists firmly believe that the differential equations of nature should be hyperbolic so as to exclude action at a distance; yet the equations of irreversible thermodynamics - those of Navier-Stokes and Fourier - are parabolic. This incompatibility between the expectation of physicists and the classical laws of thermodynamics has prompted the formulation of extended thermodynamics. After describing the motifs and early evolution of this new branch of irreversible thermodynamics, the authors apply the theory to mon-atomic gases, mixtures of gases, relativistic gases, and "gases" of phonons and photons. The discussion brings into perspective the various phenomena called second sound, such as heat propagation, propagation of shear stress and concentration, and the second sound in liquid helium. The formal mathematical structure of extended thermodynamics is exposed and the theory is shown to be fully compatible with the kinetic theory of gases. The study closes with the testing of extended thermodynamics thro...

Hybrid logic on linear structures: expressivity and complexity

NARCIS (Netherlands)

Franceschet, M.; de Rijke, M.; Schlingoff, B.-H.

2003-01-01

We investigate expressivity and complexity of hybrid logics on linear structures. Hybrid logics are an enrichment of modal logics with certain first-order features which are algorithmically well behaved. Therefore, they are well suited for the specification of certain properties of computational

Modeling Complex Nesting Structures in International Business Research

DEFF Research Database (Denmark)

Nielsen, Bo Bernhard; Nielsen, Sabina

2013-01-01

hierarchical random coefficient models (RCM) are often used for the analysis of multilevel phenomena, IB issues often result in more complex nested structures. This paper illustrates how cross-nested multilevel modeling allowing for predictor variables and cross-level interactions at multiple (crossed) levels...

Structure of the Deactive State of Mammalian Respiratory Complex I.

Science.gov (United States)

Blaza, James N; Vinothkumar, Kutti R; Hirst, Judy

2018-02-06

Complex I (NADH:ubiquinone oxidoreductase) is central to energy metabolism in mammalian mitochondria. It couples NADH oxidation by ubiquinone to proton transport across the energy-conserving inner membrane, catalyzing respiration and driving ATP synthesis. In the absence of substrates, active complex I gradually enters a pronounced resting or deactive state. The active-deactive transition occurs during ischemia and is crucial for controlling how respiration recovers upon reperfusion. Here, we set a highly active preparation of Bos taurus complex I into the biochemically defined deactive state, and used single-particle electron cryomicroscopy to determine its structure to 4.1 Å resolution. We show that the deactive state arises when critical structural elements that form the ubiquinone-binding site become disordered, and we propose reactivation is induced when substrate binding to the NADH-reduced enzyme templates their reordering. Our structure both rationalizes biochemical data on the deactive state and offers new insights into its physiological and cellular roles. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

Crystal Structures of Murine Carnitine Acetyltransferase in Ternary Complexes with Its Substrates

Energy Technology Data Exchange (ETDEWEB)

Hsiao,Y.; Jogl, G.; Tong, L.

2006-01-01

Carnitine acyltransferases catalyze the reversible exchange of acyl groups between coenzyme A (CoA) and carnitine. They have important roles in many cellular processes, especially the oxidation of long-chain fatty acids in the mitochondria for energy production, and are attractive targets for drug discovery against diabetes and obesity. To help define in molecular detail the catalytic mechanism of these enzymes, we report here the high resolution crystal structure of wild-type murine carnitine acetyltransferase (CrAT) in a ternary complex with its substrates acetyl-CoA and carnitine, and the structure of the S554A/M564G double mutant in a ternary complex with the substrates CoA and hexanoylcarnitine. Detailed analyses suggest that these structures may be good mimics for the Michaelis complexes for the forward and reverse reactions of the enzyme, representing the first time that such complexes of CrAT have been studied in molecular detail. The structural information provides significant new insights into the catalytic mechanism of CrAT and possibly carnitine acyltransferases in general.

The initial rise method extended to multiple trapping levels in thermoluminescent materials

Energy Technology Data Exchange (ETDEWEB)

Furetta, C. [CICATA-Legaria, Instituto Politecnico Nacional, 11500 Mexico D.F. (Mexico); Guzman, S. [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, A.P. 70-543, 04510 Mexico D.F. (Mexico); Ruiz, B. [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, A.P. 70-543, 04510 Mexico D.F. (Mexico); Departamento de Agricultura y Ganaderia, Universidad de Sonora, A.P. 305, 83190 Hermosillo, Sonora (Mexico); Cruz-Zaragoza, E., E-mail: ecruz@nucleares.unam.m [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, A.P. 70-543, 04510 Mexico D.F. (Mexico)

2011-02-15

The well known Initial Rise Method (IR) is commonly used to determine the activation energy when only one glow peak is presented and analysed in the phosphor materials. However, when the glow peak is more complex, a wide peak and some holders appear in the structure. The application of the Initial Rise Method is not valid because multiple trapping levels are considered and then the thermoluminescent analysis becomes difficult to perform. This paper shows the case of a complex glow curve structure as an example and shows that the calculation is also possible using the IR method. The aim of the paper is to extend the well known Initial Rise Method (IR) to the case of multiple trapping levels. The IR method is applied to minerals extracted from Nopal cactus and Oregano spices because the thermoluminescent glow curve's shape suggests a trap distribution instead of a single trapping level.

The initial rise method extended to multiple trapping levels in thermoluminescent materials

International Nuclear Information System (INIS)

Furetta, C.; Guzman, S.; Ruiz, B.; Cruz-Zaragoza, E.

2011-01-01

The well known Initial Rise Method (IR) is commonly used to determine the activation energy when only one glow peak is presented and analysed in the phosphor materials. However, when the glow peak is more complex, a wide peak and some holders appear in the structure. The application of the Initial Rise Method is not valid because multiple trapping levels are considered and then the thermoluminescent analysis becomes difficult to perform. This paper shows the case of a complex glow curve structure as an example and shows that the calculation is also possible using the IR method. The aim of the paper is to extend the well known Initial Rise Method (IR) to the case of multiple trapping levels. The IR method is applied to minerals extracted from Nopal cactus and Oregano spices because the thermoluminescent glow curve's shape suggests a trap distribution instead of a single trapping level.

Significance tests for functional data with complex dependence structure.

Science.gov (United States)

Staicu, Ana-Maria; Lahiri, Soumen N; Carroll, Raymond J

2015-01-01

We propose an L 2 -norm based global testing procedure for the null hypothesis that multiple group mean functions are equal, for functional data with complex dependence structure. Specifically, we consider the setting of functional data with a multilevel structure of the form groups-clusters or subjects-units, where the unit-level profiles are spatially correlated within the cluster, and the cluster-level data are independent. Orthogonal series expansions are used to approximate the group mean functions and the test statistic is estimated using the basis coefficients. The asymptotic null distribution of the test statistic is developed, under mild regularity conditions. To our knowledge this is the first work that studies hypothesis testing, when data have such complex multilevel functional and spatial structure. Two small-sample alternatives, including a novel block bootstrap for functional data, are proposed, and their performance is examined in simulation studies. The paper concludes with an illustration of a motivating experiment.

Significance tests for functional data with complex dependence structure

KAUST Repository

Staicu, Ana-Maria

2015-01-01

We propose an L (2)-norm based global testing procedure for the null hypothesis that multiple group mean functions are equal, for functional data with complex dependence structure. Specifically, we consider the setting of functional data with a multilevel structure of the form groups-clusters or subjects-units, where the unit-level profiles are spatially correlated within the cluster, and the cluster-level data are independent. Orthogonal series expansions are used to approximate the group mean functions and the test statistic is estimated using the basis coefficients. The asymptotic null distribution of the test statistic is developed, under mild regularity conditions. To our knowledge this is the first work that studies hypothesis testing, when data have such complex multilevel functional and spatial structure. Two small-sample alternatives, including a novel block bootstrap for functional data, are proposed, and their performance is examined in simulation studies. The paper concludes with an illustration of a motivating experiment.

Factors influencing efficient structure of fuel and energy complex

Science.gov (United States)

Sidorova, N. G.; Novikova, S. A.

2017-10-01

The development of the Russian fuel-energy complex is a priority for the national economic policy, and the Far East is a link between Russia and the Asia-Pacific region. Large-scale engineering of numerous resources of the Far East will force industrial development, increase living standard and strengthen Russia’s position in the global energy market. So, revealing the factors which influence rational structure of the fuel-energy complex is very urgent nowadays. With the use of depth analysis of development tendencies of the complex and its problems the authors show ways of its efficiency improvement.

Organizational Structure in the Delivery of Complex Services.

Science.gov (United States)

Checkland, Beth Young

1984-01-01

Essential features of the absolute bureaucracy and the organic structure are outlined and related to intrinsic requirements for the provision of complex services such as teaching and counselling. The two organizational patterns are examined in terms of influence relationships, plasticity, and administrators' assumptions. (TE)

Estimating the complexity of 3D structural models using machine learning methods

Science.gov (United States)

Mejía-Herrera, Pablo; Kakurina, Maria; Royer, Jean-Jacques

2016-04-01

Quantifying the complexity of 3D geological structural models can play a major role in natural resources exploration surveys, for predicting environmental hazards or for forecasting fossil resources. This paper proposes a structural complexity index which can be used to help in defining the degree of effort necessary to build a 3D model for a given degree of confidence, and also to identify locations where addition efforts are required to meet a given acceptable risk of uncertainty. In this work, it is considered that the structural complexity index can be estimated using machine learning methods on raw geo-data. More precisely, the metrics for measuring the complexity can be approximated as the difficulty degree associated to the prediction of the geological objects distribution calculated based on partial information on the actual structural distribution of materials. The proposed methodology is tested on a set of 3D synthetic structural models for which the degree of effort during their building is assessed using various parameters (such as number of faults, number of part in a surface object, number of borders, ...), the rank of geological elements contained in each model, and, finally, their level of deformation (folding and faulting). The results show how the estimated complexity in a 3D model can be approximated by the quantity of partial data necessaries to simulated at a given precision the actual 3D model without error using machine learning algorithms.

Extended Structures of Planetary Nebulae Detected in H2 Emission

Science.gov (United States)

Fang, Xuan; Zhang, Yong; Kwok, Sun; Hsia, Chih-Hao; Chau, Wayne; Ramos-Larios, Gerardo; Guerrero, Martín A.

2018-06-01

We present narrowband near-infrared images of a sample of 11 Galactic planetary nebulae (PNe) obtained in the H2 2.122 μm and Brγ 2.166 μm emission lines and the K c 2.218 μm continuum. These images were collected with the Wide-field Infrared Camera on the 3.6 m Canada–France–Hawaii Telescope (CFHT); their unprecedented depth and wide field of view allow us to find extended nebular structures in H2 emission in several PNe, some of these being the first detection. The nebular morphologies in H2 emission are studied in analogy with the optical images, and indication of stellar wind interactions is discussed. In particular, the complete structure of the highly asymmetric halo in NGC 6772 is witnessed in H2, which strongly suggests interaction with the interstellar medium. Our sample confirms the general correlation between H2 emission and the bipolarity of PNe. The knotty or filamentary fine structures of the H2 gas are resolved in the inner regions of several ring-like PNe, also confirming the previous argument that H2 emission mostly comes from knots or clumps embedded within fully ionized material at the equatorial regions. Moreover, the H2 image of the butterfly-shaped Sh 1-89, after removal of field stars, clearly reveals a tilted ring structure at the waist. These high-quality CFHT images justify follow-up detailed morphokinematic studies that are desired in order to deduce the true physical structures of a few PNe in the sample. Based on observations obtained with WIRCam, a joint project of CFHT, Taiwan, Korea, Canada, and France, at the Canada–France–Hawaii Telescope (CFHT), which is operated by the National Research Council (NRC) of Canada, the Institut National des Sciences de l’Univers of the Centre National de la Recherche Scientifique of France, and the University of Hawaii.

Linking structural features of protein complexes and biological function.

Science.gov (United States)

Sowmya, Gopichandran; Breen, Edmond J; Ranganathan, Shoba

2015-09-01

Protein-protein interaction (PPI) establishes the central basis for complex cellular networks in a biological cell. Association of proteins with other proteins occurs at varying affinities, yet with a high degree of specificity. PPIs lead to diverse functionality such as catalysis, regulation, signaling, immunity, and inhibition, playing a crucial role in functional genomics. The molecular principle of such interactions is often elusive in nature. Therefore, a comprehensive analysis of known protein complexes from the Protein Data Bank (PDB) is essential for the characterization of structural interface features to determine structure-function relationship. Thus, we analyzed a nonredundant dataset of 278 heterodimer protein complexes, categorized into major functional classes, for distinguishing features. Interestingly, our analysis has identified five key features (interface area, interface polar residue abundance, hydrogen bonds, solvation free energy gain from interface formation, and binding energy) that are discriminatory among the functional classes using Kruskal-Wallis rank sum test. Significant correlations between these PPI interface features amongst functional categories are also documented. Salt bridges correlate with interface area in regulator-inhibitors (r = 0.75). These representative features have implications for the prediction of potential function of novel protein complexes. The results provide molecular insights for better understanding of PPIs and their relation to biological functions. © 2015 The Protein Society.

Insight into the structures and stabilities of Tc and Re DMSA complexes: A computational study

International Nuclear Information System (INIS)

Blanco González, Alejandro; Hernández Valdés, Daniel; García Fleitas, Ariel; Rodríguez Riera, Zalua; Jáuregui Haza, Ulises

2016-01-01

Meso-2,3-dimercaptosuccinic acid (DMSA) is used in nuclear medicine as ligand for preparation of radiopharmaceuticals for diagnostic and therapy. DMSA has been the subject of numerous investigations during the past three decades and new and significant information of the chemistry and pharmacology of DMSA complexes have emerged. In comparison to other ligands, the structure of some DMSA complexes is unclear up today. The structures and applications of DMSA complexes are strictly dependent on the chemical conditions of their preparation, especially pH and the ratio of components. A computational study of M-DMSA (M = Tc, Re) complexes has been performed using density functional theory. Different isomers for M(V) and M(III) complexes were study. The pH influence over ligand structures was taken into account and the solvent effect was evaluated using an implicit solvation model. The fully optimized complex syn-endo Re(V)-DMSA shows a geometry similar to the X-ray data and was used to validate the methodology. Moreover, new alternative structures for the renal agent 99mTc(III)-DMSA were proposed and computationally studied. For two complex structures, a larger stability respect to that proposed in the literature was obtained. Furthermore, Tc(V)-DMSA complexes are more stable than the Tc(III)-DMSA proposed structures. In general, Re complexes are more stables than the corresponding Tc ones. (author)

Trans-acting RNAs as molecular probes for monitoring time-dependent structural change of an RNA complex adapting two structures.

Science.gov (United States)

Maeda, Yuri; Furuta, Hiroyuki; Ikawa, Yoshiya

2011-03-01

As dynamic structural changes are pivotal for the functions of some classes of RNA molecule, it is important to develop methods to monitor structural changes in RNA in a time-dependent manner without chemical modification. Based on previous reports that trans-acting RNAs can be used as probes for analysis and control of 3D structures of target RNAs, we applied this method to monitor time-dependent structural changes in RNA. We designed and performed a proof-of-principle study using a simple model RNA complex that adopts two different structures as a target. The time-dependent structural changes in the target RNA were successfully monitored using two trans-acting RNAs, which stably form a ternary complex with the bimolecular target RNA and act as a catalyst to join two RNA fragments of the target complex, respectively. Copyright © 2010 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Complex metrology on 3D structures using multi-channel OCD

Science.gov (United States)

Kagalwala, Taher; Mahendrakar, Sridhar; Vaid, Alok; Isbester, Paul K.; Cepler, Aron; Kang, Charles; Yellai, Naren; Sendelbach, Matthew; Ko, Mihael; Ilgayev, Ovadia; Katz, Yinon; Tamam, Lilach; Osherov, Ilya

2017-03-01

Device scaling has not only driven the use of measurements on more complex structures, in terms of geometry, materials, and tighter ground rules, but also the need to move away from non-patterned measurement sites to patterned ones. This is especially of concern for very thin film layers that have a high thickness dependence on structure geometry or wafer pattern factor. Although 2-dimensional (2D) sites are often found to be sufficient for process monitoring and control of very thin films, sometimes 3D sites are required to further simulate structures within the device. The measurement of film thicknesses only a few atoms thick on complex 3D sites, however, are very challenging. Apart from measuring thin films on 3D sites, there is also a critical need to measure parameters on 3D sites, which are weak and less sensitive for OCD (Optical Critical Dimension) metrology, with high accuracy and precision. Thus, state-ofthe-art methods are needed to address such metrology challenges. This work introduces the concept of Enhanced OCD which uses various methods to improve the sensitivity and reduce correlations for weak parameters in a complex measurement. This work also describes how more channels of information, when used correctly, can improve the precision and accuracy of weak, non-sensitive or complex parameters of interest.

Surface Structures Formed by a Copper(II Complex of Alkyl-Derivatized Indigo

Directory of Open Access Journals (Sweden)

Akinori Honda

2016-10-01

Full Text Available Assembled structures of dyes have great influence on their coloring function. For example, metal ions added in the dyeing process are known to prevent fading of color. Thus, we have investigated the influence of an addition of copper(II ion on the surface structure of alkyl-derivatized indigo. Scanning tunneling microscope (STM analysis revealed that the copper(II complexes of indigo formed orderly lamellar structures on a HOPG substrate. These lamellar structures of the complexes are found to be more stable than those of alkyl-derivatized indigos alone. Furthermore, 2D chirality was observed.

Geologic Map of the Weaverville 15' Quadrangle, Trinity County, California

Science.gov (United States)

Irwin, William P.

2009-01-01

The Weaverville 15' quadrangle spans parts of five generally north-northwest-trending accreted terranes. From east to west, these are the Eastern Klamath, Central Metamorphic, North Fork, Eastern Hayfork, and Western Hayfork terranes. The Eastern Klamath terrane was thrust westward over the Central Metamorphic terrane during early Paleozoic (Devonian?) time and, in Early Cretaceous time (approx. 136 Ma), was intruded along its length by the massive Shasta Bally batholith. Remnants of overlap assemblages of the Early Cretaceous (Hauterivian) Great Valley sequence and the Tertiary Weaverville Formation cover nearly 10 percent of the quadrangle. The base of the Eastern Klamath terrane in the Weaverville quadrangle is a peridotite-gabbro complex that probably is correlative to the Trinity ophiolite (Ordovician), which is widely exposed farther north beyond the quadrangle. In the northeast part of the Weaverville quadrangle, the peridotite-gabbro complex is overlain by the Devonian Copley Greenstone and the Mississippian Bragdon Formation. Where these formations were intruded by the Shasta Bally batholith, they formed an aureole of gneissic and other metamorphic rocks around the batholith. Westward thrusting of the Eastern Klamath terrane over an adjacent body of mafic volcanic and overlying quartzose sedimentary rocks during Devonian time formed the Salmon Hornblende Schist and the Abrams Mica Schist of the Central Metamorphic terrane. Substantial beds of limestone in the quartzose sedimentary unit, generally found near the underlying volcanic rock, are too metamorphosed for fossils to have survived. Rb-Sr analysis of the Abrams Mica Schist indicates a metamorphic age of approx. 380 Ma. West of Weavervillle, the Oregon Mountain outlier of the Eastern Klamath terrane consists mainly of Bragdon Formation(?) and is largely separated from the underlying Central Metamorphic terrane by serpentinized peridotite that may be a remnant of the Trinity ophiolite. The North Fork

Structure and reactivity of a mononuclear gold(II) complex

Science.gov (United States)

Preiß, Sebastian; Förster, Christoph; Otto, Sven; Bauer, Matthias; Müller, Patrick; Hinderberger, Dariush; Hashemi Haeri, Haleh; Carella, Luca; Heinze, Katja

2017-12-01

Mononuclear gold(II) complexes are very rare labile species. Transient gold(II) species have been suggested in homogeneous catalysis and in medical applications, but their geometric and electronic structures have remained essentially unexplored: even fundamental data, such as the ionic radius of gold(II), are unknown. Now, an unprecedentedly stable neutral gold(II) complex of a porphyrin derivative has been isolated, and its structural and spectroscopic features determined. The gold atom adopts a 2+2 coordination mode in between those of gold(III) (four-coordinate square planar) and gold(I) (two-coordinate linear), owing to a second-order Jahn-Teller distortion enabled by the relativistically lowered 6s orbital of gold. The reactivity of this gold(II) complex towards dioxygen, nitrosobenzene and acids is discussed. This study provides insight on the ionic radius of gold(II), and allows it to be placed within the homologous series of nd9 Cu/Ag/Au divalent ions and the 5d8/9/10 Pt/Au/Hg 'relativistic' triad in the periodic table.

Cellulose synthase complex organization and cellulose microfibril structure.

Science.gov (United States)

Turner, Simon; Kumar, Manoj

2018-02-13

Cellulose consists of linear chains of β-1,4-linked glucose units, which are synthesized by the cellulose synthase complex (CSC). In plants, these chains associate in an ordered manner to form the cellulose microfibrils. Both the CSC and the local environment in which the individual chains coalesce to form the cellulose microfibril determine the structure and the unique physical properties of the microfibril. There are several recent reviews that cover many aspects of cellulose biosynthesis, which include trafficking of the complex to the plasma membrane and the relationship between the movement of the CSC and the underlying cortical microtubules (Bringmann et al. 2012 Trends Plant Sci. 17 , 666-674 (doi:10.1016/j.tplants.2012.06.003); Kumar & Turner 2015 Phytochemistry 112 , 91-99 (doi:10.1016/j.phytochem.2014.07.009); Schneider et al. 2016 Curr. Opin. Plant Biol. 34 , 9-16 (doi:10.1016/j.pbi.2016.07.007)). In this review, we will focus on recent advances in cellulose biosynthesis in plants, with an emphasis on our current understanding of the structure of individual catalytic subunits together with the local membrane environment where cellulose synthesis occurs. We will attempt to relate this information to our current knowledge of the structure of the cellulose microfibril and propose a model in which variations in the structure of the CSC have important implications for the structure of the cellulose microfibril produced.This article is part of a discussion meeting issue 'New horizons for cellulose nanotechnology'. © 2017 The Author(s).

Geophysical reassessment of the role of ancient crustal structures on the development of western Laurentia and Selwyn Basin, Yukon and Northwest Territories, Canada.

Science.gov (United States)

Hayward, N.

2017-12-01

The structure of the western margin of the North American craton (Laurentia) in the northern Canadian Cordillera and its role in the development of the Neoproterozoic-Early Paleozoic Selwyn Basin are reassessed through 3D inversion of a new compilation of aeromagnetic data and archival Bouguer gravity data. The region's tectonic history is obscured by partial burial beneath Selwyn Basin, and a tectonic overprint that includes terrane accretion, regional plutonism, and strike-slip faults with displacements of 100s and perhaps 1000s of kilometers. Despite the implied complexity, preliminary geological and geophysical based interpretations of the structure of the western margin of Laurentia, have been adopted with few refinements in over two decades. Regionally continuous, NE-trending, crustal lineaments, including the Fort Norman line and Leith Ridge fault, were interpreted as having had long-standing influence on the craton development, its western margin, and overlapping sedimentary basin. New results reveal limited evidence for the regional continuity of the NE-trending lineaments. Instead, models suggest that the structure of the Laurentian margin is characterised by segmentation on numerous shorter structures of varied strike. The western margin of the craton and its structures are bound by a NW-trending structure that connects with the Richardson Trough to the north and may have been active during rifting of the Misty Creek embayment. This boundary also marks the easternmost limit of both granitic intrusions in Selwyn Basin, which gravity models suggest are of greater extent than reflected on geological maps, and SEDEX occurrences. An ENE-trending structure beneath northern Selwyn Basin is interpreted as marking the southern edge of a previously unidentified cratonic promontory, akin to the Liard line that marks a transfer fault that bounds the promontory of the Macdonald Platform, south of Selwyn Basin. The ENE-trending structure is traced from the Tintina

Synthesis, Structure and Catalytic Activity of NHC-AgICarboxylate Complexes

KAUST Repository

Wong, Valerie H. L.; Vummaleti, Sai V. C.; Cavallo, Luigi; White, Andrew J. P.; Nolan, Steven P.; Hii, King Kuok Mimi

2016-01-01

A general synthetic route was used to prepare 15 new N-heterocyclic carbene (NHC)–AgI complexes bearing anionic carboxylate ligands [Ag(NHC)(O2CR)], including a homologous series of complexes of sterically flexible ITent ligands, which permit a systematic spectroscopic and theoretical study of the structural and electronic features of these compounds. The complexes displayed a significant ligand-accelerated effect in the intramolecular cyclisation of propargylic amides to oxazolidines. The substrate scope is highly complementary to that previously achieved by NHC–Au and pyridyl–AgI complexes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Synthesis, Structure and Catalytic Activity of NHC-AgICarboxylate Complexes

KAUST Repository

Wong, Valerie H. L.

2016-08-03

A general synthetic route was used to prepare 15 new N-heterocyclic carbene (NHC)–AgI complexes bearing anionic carboxylate ligands [Ag(NHC)(O2CR)], including a homologous series of complexes of sterically flexible ITent ligands, which permit a systematic spectroscopic and theoretical study of the structural and electronic features of these compounds. The complexes displayed a significant ligand-accelerated effect in the intramolecular cyclisation of propargylic amides to oxazolidines. The substrate scope is highly complementary to that previously achieved by NHC–Au and pyridyl–AgI complexes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Structuring and assessing large and complex decision problems using MCDA

DEFF Research Database (Denmark)

Barfod, Michael Bruhn

This paper presents an approach for the structuring and assessing of large and complex decision problems using multi-criteria decision analysis (MCDA). The MCDA problem is structured in a decision tree and assessed using the REMBRANDT technique featuring a procedure for limiting the number of pair...

Circum-Pacific accretion of oceanic terranes to continental blocks: accretion of the Early Permian Dun Mountain ophiolite to the E Gondwana continental margin, South Island, New Zealand

Science.gov (United States)

Robertson, Alastair

2016-04-01

Accretionary orogens, in part, grow as a result of the accretion of oceanic terranes to pre-existing continental blocks, as in the circum-Pacific and central Asian regions. However, the accretionary processes involved remain poorly understood. Here, we consider settings in which oceanic crust formed in a supra-subduction zone setting and later accreted to continental terranes (some, themselves of accretionary origin). Good examples include some Late Cretaceous ophiolites in SE Turkey, the Jurassic Coast Range ophiolite, W USA and the Early Permian Dun Mountain ophiolite of South Island, New Zealand. In the last two cases, the ophiolites are depositionally overlain by coarse clastic sedimentary rocks (e.g. Permian Upukerora Formation of South Island, NZ) that then pass upwards into very thick continental margin fore-arc basin sequences (Great Valley sequence, California; Matai sequence, South Island, NZ). Field observations, together with petrographical and geochemical studies in South Island, NZ, summarised here, provide evidence of terrane accretion processes. In a proposed tectonic model, the Early Permian Dun Mountain ophiolite was created by supra-subduction zone spreading above a W-dipping subduction zone (comparable to the present-day Izu-Bonin arc and fore arc, W Pacific). The SSZ oceanic crust in the New Zealand example is inferred to have included an intra-oceanic magmatic arc, which is no longer exposed (other than within a melange unit in Southland), but which is documented by petrographic and geochemical evidence. An additional subduction zone is likely to have dipped westwards beneath the E Gondwana margin during the Permian. As a result, relatively buoyant Early Permian supra-subduction zone oceanic crust was able to dock with the E Gondwana continental margin, terminating intra-oceanic subduction (although the exact timing is debatable). The amalgamation ('soft collision') was accompanied by crustal extension of the newly accreted oceanic slab, and

Novel polymeric potassium complex: Its synthesis, structural characterization, photoluminescence and electrochemical properties

Energy Technology Data Exchange (ETDEWEB)

Ceyhan, Goekhan [Chemistry Department, K.Maras Suetcue Imam University, 46100 K.Maras (Turkey); Tuemer, Mehmet, E-mail: mtumer@ksu.edu.tr [Chemistry Department, K.Maras Suetcue Imam University, 46100 K.Maras (Turkey); Koese, Muhammet; McKee, Vickie [Chemistry Department, Loughborough University, LE11 3TU Leicestershire (United Kingdom)

2012-03-15

In this paper, we obtained a novel poly(vanillinato potassium) complex (PVP) as a single crystal and characterized by analytical and spectroscopic methods. A single crystal of the PVP was obtained from the acetone solution. X-ray structural data show that crystals contain polymeric K{sup +} complex of vanillin. Each potassium ion in the polymeric structure is identical and seven-coordinate, bonded to two methoxy, two phenoxy and three aldehyde oxygen atoms from four vaniline molecules. Two aldehyde oxygen atoms are bridging between potassium ions. It crystallizes in the monoclinic system, space group P2{sub 1}/c, with lattice parameters a=9.6215(10) A, b=17.4139(19) A, c=9.6119(10) A, {beta}=100.457(2) Degree-Sign and Z=4. Thermal properties of the PVP were investigated by TGA, DTA and DSC methods. The electrochemical properties of the complex were studied in different solvents and at various scan rates. The luminescence properties of the complex in different solvents and at different pH values have been investigated. The results show that the complex exhibits more efficient luminescence property in CH{sub 3}CN and n-butanol. - Highlights: Black-Right-Pointing-Pointer Novel polymeric potassium complex was prepared and fully characterized. Black-Right-Pointing-Pointer X-ray crystal structure of complex was reported. Black-Right-Pointing-Pointer Electrochemical properties of compound were investigated. Black-Right-Pointing-Pointer Thermal and DSC measurements of complex were examined.

Shaping the Australian crust over the last 300 million years: insights from fission track thermotectonic imaging and denudation studies of key terranes

International Nuclear Information System (INIS)

Kohn, B.P.; Gleadow, A.J.W.; Brown, R.W.; O'Sullivan, P.B.; Foster, D.A.; Gallagher, K.

2002-01-01

Apatite fission track thermochronology is a well-established tool for reconstructing the low-temperature thermal and tectonic evolution of continental crust. The variation of fission track ages and distribution of fission track lengths are primarily controlled by cooling, which may be initiated by earth movements and consequent denudation at the Earth's surface and/or by changes in the thermal regime. Using numerical forward-modelling procedures these parameters can be matched with time-temperature paths that enable thermal and tectonic processes to be mapped out in considerable detail. This study describes extensive Australian regional fission track datasets that have been modelled sequentially and inverted into time-temperature solutions for visualisation as a series of time-slice images depicting the cooling history of present-day surface rocks during their passage through the upper crust. The data have also been combined with other datasets, including digital elevation and heat flow, to image the denudation history and the evolution of palaeo-topography. These images provide an important new perspective on crustal processes and landscape evolution and show how important tectonic and denudation events over the last 300 million years can be visualised in time and space. The application of spatially integrated denudation-rate chronology is also demonstrated for some key Australian terranes including the Lachlan and southern New England Orogens of southeastern Australia, Tasmania, the Gawler Craton, the Mt lsa lnlier, southwestern Australian crystalline terranes (including the Yilgarn Craton) and the Kimberley Block. This approach provides a readily accessible framework for quantifying the otherwise undetectable, timing and magnitude of long-term crustal denudation in these terranes, for a part of the geological record previously largely unconstrained. Discrete episodes of enhanced denudation occurred principally in response to changes in drainage, base

The African upper mantle and its relationship to tectonics and surface geology

Science.gov (United States)

Priestley, Keith; McKenzie, Dan; Debayle, Eric; Pilidou, Sylvana

2008-12-01

This paper focuses on the upper-mantle velocity structure of the African continent and its relationship to the surface geology. The distribution of seismographs and earthquakes providing seismograms for this study results in good fundamental and higher mode path coverage by a large number of relatively short propagation paths, allowing us to image the SV-wave speed structure, with a horizontal resolution of several hundred kilometres and a vertical resolution of ~50 km, to a depth of about 400 km. The difference in mantle structure between the Archean and Pan-African terranes is apparent in our African upper-mantle shear wave model. High-velocity (4-7 per cent) roots exist beneath the cratons. Below the West African, Congo and Tanzanian Cratons, these extend to 225-250 km depth, but beneath the Kalahari Craton, the high wave speed root extends to only ~170 km. With the exception of the Damara Belt that separates the Congo and Kalahari Cratons, any high-speed upper-mantle lid below the Pan-African terranes is too thin to be resolved by our long-period surface wave technique. The Damara Belt is underlain by higher wave speeds, similar to those observed beneath the Kalahari Craton. Extremely low SV-wave speeds occur to the bottom of our model beneath the Afar region. The temperature of the African upper mantle is determined from the SV-wave speed model. Large temperature variations occur at 125 km depth with low temperatures beneath west Africa and all of southern Africa and warm mantle beneath the Pan-African terrane of northern Africa. At 175 km depth, cool upper mantle occurs below the West African, Congo, Tanzanian and Kalahari Cratons and anomalously warm mantle occurs below a zone in northcentral Africa and beneath the region surrounding the Red Sea. All of the African volcanic centres are located above regions of warm upper mantle. The temperature profiles were fit to a geotherm to determine the thickness of the African lithosphere. Thick lithosphere exists

Structured analysis and modeling of complex systems