WorldWideScience

Sample records for ab saab aerosystems

  1. 76 FR 53301 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Science.gov (United States)

    2011-08-26

    ...-16787; AD 2011-18-05] RIN 2120-AA64 Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000... describes the unsafe condition as: Corrosion damage has been found on the aft pressure bulkhead of SAAB 2000... been found on the aft pressure bulkhead of SAAB 2000 aeroplanes, located on the rear side of the...

  2. 76 FR 19719 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Science.gov (United States)

    2011-04-08

    ... Aerosystems Model SAAB 2000 Airplanes AGENCY: Federal Aviation Administration (FAA), DOT. ACTION: Notice of... occupants. To correct this potentially unsafe condition, SAAB has published Service Bulletin (SB) 2000-32... described above, this EASA AD requires the accomplishment of the actions described in SAAB SB 2000-32-073...

  3. 75 FR 77796 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Science.gov (United States)

    2010-12-14

    ..., Saab Aerosystems Model SAAB 2000 Airplanes AGENCY: Federal Aviation Administration (FAA), DOT. ACTION... the rear spar upper cap of the horizontal stabilizer of SAAB 2000 aeroplanes. The affected areas are... 2000 aeroplanes. The affected areas are adjacent to the inboard elevator hinge where the electrical...

  4. 76 FR 31508 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Science.gov (United States)

    2011-06-01

    ... Aerosystems Model SAAB 2000 Airplanes AGENCY: Federal Aviation Administration (FAA), DOT. ACTION: Notice of... pressure bulkhead of SAAB 2000 aeroplanes, located on the rear side of the bulkhead at the bottom outboard... products. The MCAI states: Corrosion damage has been found on the aft pressure bulkhead of SAAB 2000...

  5. 76 FR 13072 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Science.gov (United States)

    2011-03-10

    ... Aerosystems Model SAAB 2000 Airplanes AGENCY: Federal Aviation Administration (FAA), Department of... upper cap of the horizontal stabilizer of SAAB 2000 aeroplanes. The affected areas are adjacent to the... of the horizontal stabilizer of SAAB 2000 aeroplanes. The affected areas are adjacent to the inboard...

  6. 76 FR 41665 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Science.gov (United States)

    2011-07-15

    ... Aerosystems Model SAAB 2000 Airplanes AGENCY: Federal Aviation Administration (FAA), Department of... potentially unsafe condition, SAAB has published Service Bulletin (SB) 2000-32-073, describing a inspection of... requires the accomplishment of the actions described in SAAB SB 2000-32-073. Required actions, if any loose...

  7. 77 FR 1 - Airworthiness Directives; Saab AB, Saab Aerosystems Airplanes

    Science.gov (United States)

    2012-01-03

    ... airplane, this AD states not to install a separation bolt having P/N 7292520-678 on any airplane as of the... United States Code specifies the FAA's authority to issue rules on aviation safety. Subtitle I, section... government and the States, or on the distribution of power and responsibilities among the various levels of...

  8. 77 FR 26158 - Airworthiness Directives; Saab AB, Saab Aerosystems Airplanes

    Science.gov (United States)

    2012-05-03

    ... 29: Hydraulic Power. (e) Reason This AD was prompted by reports of hydraulic accumulator failure. We... of hydraulic accumulator failure. This AD requires replacing certain hydraulic accumulators with stainless steel hydraulic accumulators, and structural modifications in the nose landing gear bay. We are...

  9. 77 FR 29855 - Airworthiness Directives; Saab AB, Saab Aerosystems Airplanes

    Science.gov (United States)

    2012-05-21

    ... data and determined that air safety and the public interest require adopting the AD as proposed. Costs... other factors, a fire and consequent damage to the airplane. DATES: This AD becomes effective June 25... INFORMATION CONTACT: Shahram Daneshmandi, Aerospace Engineer, International Branch, ANM-116, Transport...

  10. 78 FR 49982 - Airworthiness Directives; Saab AB, Saab Aerosystems Airplanes

    Science.gov (United States)

    2013-08-16

    ...)(ii) of this AD, as applicable. (i) Single System: Pull the compressor control circuit breaker... airplane logbook referring to this AD as the reason for deactivation. (ii) Dual System: Pull the compressor... compressor motor is installed, an inspection to determine the age of a certain compressor hour meter since...

  11. Luzern saab uue kontserdimaja

    Index Scriptorium Estoniae

    1998-01-01

    Mais algavad Luzerni uue kontserdisaali akustiliste jm. näitajate testkontserdid. Uuest kontserdisaalist saab ka Luzerni kuulsate rahvusvaheliste festivalide pealava nii suvel kui lihavõtte aegu. Arhitekt Jean Nouvel, akustik Russell Johnson.

  12. WHO KILLED SAAB AUTOMOBILE?:Obituary of an Automotive Icon

    OpenAIRE

    Oliver, Nick; Holweg, Matthias

    2011-01-01

    Saab Automobile AB was declared bankrupt on December 19, 2011. This marked the end of 62 years of car production for the iconic brand, which during its final years was beset with financial problems and changes of ownership. More than 3,700 workers lost their jobs when the Trollhättan factory finally closed its doors after producing a total of 4.5 million Saab vehicles over the years. But what was the root cause for the company’s demise? Was it preventable? And who was to blame? The failure o...

  13. Kõik saab korda / Tamara Luuk

    Index Scriptorium Estoniae

    Luuk, Tamara, 1952-

    2010-01-01

    Rahvusvaheline videokunsti näitus "Kõik saab korda" Kumu Kunstimuuseumis 2. jaanuarini 2011. Kuraator Maria-Kristiina Soomre, kujundaja Berit Teeäär. Osalevad Marina Abramović (Serbia/USA), Eija-Liisa Ahtila (Soome), Kai Kaljo, Mike Marshall (Inglismaa), Ene-Liis Semper, Santeri Tuori (Soome), Guido van der Werve (Holland)

  14. Mis saab Potterist? / Jaanus Noormets

    Index Scriptorium Estoniae

    Noormets, Jaanus

    2007-01-01

    Eestis esilinastub 20. juulil Harry Potteri viies film "Harry Potter ja Fööniksi ordu" ("Harry Potter and the Order of the Phoenix"), režissöör David Yates : Ameerika Ühendriigid-Suurbritannia 2007. Alates 21. juulist saab raamatupoodidest osta seitsmendat ja ühtlasi viimast J. K. Rowlingu Potteri-sarja raamatut "Harry Potter and the Deathly Hallows"

  15. Eestist saab politseiriik / Roy Strider

    Index Scriptorium Estoniae

    Strider, Roy, 1974-

    2007-01-01

    Autori väitel ei ole politsei pärast kavandatavat avaliku koosoleku seaduse muutmist enam kohustatud inimestele teatama, kui nende eraelu puutumatust on jälitustoiminguga riivatud. Autori sõnul tähendab see, et Eestist saab politseiriik

  16. Euroopa Komisjoni juhiks saab Barroso / Kaivo Kopli

    Index Scriptorium Estoniae

    Kopli, Kaivo

    2004-01-01

    Portugali peaminister Jose Manuel Durao Barroso teatas, et võtab vastu kutse kandeerida Euroopa Komisjoni presidendiks. EL-i välktippkohtumisel arutati kahe uue ametikoha täitmist; välisministriks ja eurokomisjoni asepresidendiks saab ilmselt Javier Solana, Saksamaa soovib, et nn. supervolinikuks saab Günter Verheugen

  17. President saab uue kullast ametiketi

    Index Scriptorium Estoniae

    2007-01-01

    Uue riiklike teenetemärkide seaduse järgi saab Eesti kõrgeimaks ordeniks Riigivapi ketiklassi teenetemärk, mida on õigus kanda vaid Vabariigi Presidendil. Teenetemärk koosneb kullast ketist, kaheksaharulisest kuldtähest ja erisuurpaelast. Eelnõu järgi saavad Riigivapi ketiklassi teenetemärgi kavalerideks nii Toomas Hendrik Ilves kui ka Arnold Rüütel ja postuumselt Lennart Meri. Kullast keti, mida kandis president Konstantin Päts, röövisid 1940. a. Nõukogude okupandid ning praegu asub see Moskvas Relvapalatis

  18. Viru pataljon saab uue ülema

    Index Scriptorium Estoniae

    2006-01-01

    Ilmunud ka: Severnoje Poberezhje 22. juuli lk. 4. 31. juulist saab Viru üksik-jalaväepataljoni ülemaks major Urmet Reimann, senine ülem major Neeme Kaarna jätkab teenistust kirdekorpuse staabiohvitserina Poolas

  19. Meltsiveski Konsumist saab korteritega supermarket / Nils Niitra

    Index Scriptorium Estoniae

    Niitra, Nils, 1975-

    2005-01-01

    Meltsiveski Konsumi kõrvale ehitatakse uus hoone, kus saab olema 30 korterit ja supermarket ning viimase katusel mängu- ja puhkeala. Juurdeehituse projekteeris arhitektuuribüroo Pluss arhitekt Indrek Allmann

  20. Admiral Cowan saab selga troopikavormid / Raul Vinni

    Index Scriptorium Estoniae

    Vinni, Raul

    2008-01-01

    Vahemerele suunduva miinijahtija "Admiral Cowan" meeskond saab esmakordselt Eestis valge troopikavormi. Miinijahtija osaleb NATO kiirreageerimisüksuse NRF-11 mereväekomponendis ja kuulub NATO miinitõrjeeskaadri SNMCMG1 koosseisu. 25. juulist kuni novembrini on miinijahtija Põhja regioonide miinitõrjeüksuse koosseisus

  1. Mobiiliga saab hakata andma digitaalallkirja / Toivo Tänavsuu

    Index Scriptorium Estoniae

    Tänavsuu, Toivo

    2007-01-01

    EMT hakkab väljastama mobiiltelefoni SIM-kaarte, mis võimaldavad anda digitaalset allkirja. EMT lisateenuste ärijuhi Indrek Östermani selgitus. Lisad: Mobiiliga saab internetipanka minna ja digitaalallkirja anda; Keskkond muutub turvalisemaks

  2. Stille wird zu Farben : [aus "Vaikus saab värvideks" ("Stille wird zu Farben")] : [luuletused] / Jaan Kaplinski ; tlk. Irja Grönholm ja Gisbert Jänicke

    Index Scriptorium Estoniae

    Kaplinski, Jaan, 1941-

    2006-01-01

    Sisu: Stille wird zu Farben ; Der letzte rote Apfel ; Wer allein bleibt ; Ruf nach dem Vorherigen ; Mit jedem Frühling ; So viele Namen ; In die Spuren ; Höher ; Es wird Licht ; Mit dem Sommerwrind um die Wette ; Ob sie noch hört. Orig.: Vaikus saab värvideks ; Viimane verev õun ; Üksi jääb ; Hüüab eelmist ; Iga kevadega ; Niipalju nimesid ; Astub tuule jälgedele ; Käib kõrgemalt ; Saab valguseks ; Suvetuulega võidu ; Kas kuuleb enam

  3. Ajaloolaste juhiks saab Magnus Ilmjärv

    Index Scriptorium Estoniae

    2006-01-01

    Tallinna Ülikooli Ajaloo Instituudi uueks direktoriks saab ajaloolane Magnus Ilmjärv, kes on tuntuks saanud oma põhjaliku uurimistööga "Hääletu alistumine" Eesti Vabariigi sõjaeelsest välispoliitikast ja riigijuhi Konstantin Pätsi rollist iseseisvuse kaotamisel

  4. Evelin Ilves saab sama nimega firmalt tasuta uisutrikoosid / Kadri Jakobson

    Index Scriptorium Estoniae

    Jakobson, Kadri, 1970-

    2008-01-01

    Proua Evelin Ilves saab rulluisutrikood tootjafirmalt Ilves-Extra tasuta. Presidendi kantselei sõnul testib Rulluisuliidu president E. Ilves uisutrikood, mida Ilves-Extra alles kavatseb tootmisse võtta. Arvamust avaldavad Ilves-Extra juht Arvo Kivikas ja suhtekorraldusekspert Ivo Rull

  5. Piirivalve saab 147 miljoni eest uhke helikopteri / Sigrid Laev

    Index Scriptorium Estoniae

    Laev, Sigrid

    2005-01-01

    Eesti piirivalve saab helikopteri Agusta Bell, kopteri soetamine täidab Schnegen Facility programmi eesmärki, mille kohaselt tuleb EL-i välispiiride valve viia vastavusse Schengeni õigusruumi nõuetega. Raha ostmiseks annab abiprogramm Schengen Facility

  6. Improvisatsioonilised filmietendus-kontserdid "Kas kino ka saab?"

    Index Scriptorium Estoniae

    2006-01-01

    Eesti Ajaloomuuseumi ja Eesti Film 100 poolt Suurgildi hoones korraldatud koostöönäitust "Elavad ja laulvad pildid" täiendab filmietenduste-kontsertide sari "Kas kino ka saab?", kus täna on kinoklassiku Georges Meliesi (1861-1938) filmiprogramm Jaak Lõhmuse kommenteeriva sõnavõtuga

  7. Taanlastest saab Türgi trump / Kaarel Tarand

    Index Scriptorium Estoniae

    Tarand, Kaarel, 1966-

    2006-01-01

    Türgi pakub end lääne ja islamimaailma peavahendajaks tsivilisatsioonide kokkupõrke ärahoidmiseks. Kui Türgi diplomaatial õnnestub pingeid leevendada, on Euroopal tema ees tänuvõlg, mida saab tasuda ainult EL-i liikmeks vastuvõtmisega, ütleb autor. Muhamedi karikatuuride avaldamise käsitlemisest Eestis

  8. Näha saab improvisatsioonilist filmietendus-kontserti

    Index Scriptorium Estoniae

    2006-01-01

    Eesti Ajaloomuuseumi ja Eesti Film 100 poolt Suurgildi hoones korraldatud koostöönäitust "Elavad ja laulvad pildid" täiendab filmietenduste-kontsertide sari "Kas kino ka saab?", kus täna näeb Charles Chaplini varaseid komöödiaid koos Jaan Ruusi kommenteeriva sõnavõtuga ning muusikute saatega

  9. 75 FR 19673 - Petition for Exemption From the Vehicle Theft Prevention Standard; Saab

    Science.gov (United States)

    2010-04-15

    .... In its petition, Saab provided a detailed description and diagram of the identity, design, and... are received at any point in the process, or if a response is not received, the system will inhibit operation of the engine. The Saab 9-5 is equipped with a vehicle alarm system (VAS). The VAS consists of an...

  10. EVPde aeg saab otsa / Uku Hänni

    Index Scriptorium Estoniae

    Hänni, Uku, 1943-

    2006-01-01

    Erastamisväärtpaberite kehtivusaeg saab käesoleva aastaga läbi. Sama ka Vooremaa 25. nov. 2006, lk. 4 ; Vooremaa : Palamuse Valla Teataja 25. nov. 2006, lk. 3 ; Kuulutaja 24. nov. 2006, lk. 4 ; Harjumaa 24. nov. 2006, lk. 2 ; Võrumaa Teataja 23. nov. 2006, lk. 2 ; Vali Uudised 29. nov. 2006, lk. 4 ; Vooremaa : Jõgeva Valla Teataja 2. Dets. 2006, lk. 3 ; Koit 2. Dets. 2006, lk. 6 ; Pärnu Postimees 7. Dets. 2006, lk. 15 ; Sakala 28. Dets. 2006, lk. 2

  11. Electric Shocks Resulting in Seismic Animal Anomalous Behaviors (SAABs)

    Science.gov (United States)

    Ikeya, Motoji; Takaki, Shunji; Takashimizu, Dan

    1996-03-01

    Electric field effects on fish and worms have been studied assuming that the seismic animal anomalous behaviors (SAABs) witnessed prior to the Hansin Earthquake were caused by seismic electric current. Japanese minnows, guppies and loaches responded to the current and aligned perpendicular to the field direction and earthworms swarmed, which are forms of SAABs, at a current density of J=0.1˜1 A/m2 presumably to reduce the effects of the field, F. A mathematical model of a fault was used to express the seismic stress, σ(t) corresponding to a fault displacement, D(t). An electromagnetic model of a fault, where a bound charge density, q which compensate the piezoelectric polarization, appears due to the release of seismic stress is used to derive dq/dt=-α(dσ/dt)-q/ɛρ, F=q/ɛ and J=F/ρ'. Using the piezoelectric coefficient, α, dielectric constant, ɛ and the resistivity, ρ of bedrock granite and ρ' of water gives J=1 A/m2 in concordance with the experiments.

  12. Uudised : Konkursiedu. Laulva revolutsiooni meenutuseks. Vanemuise kontserdimaja saab juurdeehituse / Alo Põldmäe

    Index Scriptorium Estoniae

    Põldmäe, Alo, 1945-

    2001-01-01

    Eesti-taani duo saavutas 2.-4. juunini Prantsusmaal Poitiers's toimunud Euroopa Improvisatsiooniturniiril III koha. 20. juunil Teatri- ja Muusikamuuseumis toimuvast õhtust "Lauldes vabaks", kus meenutatakse Laulvat Revolutsiooni. Vanemuise kontserdimaja saab juurdeehituse

  13. Kaitseväe juhatajaks saab tõenäoliselt Riho Terras / Madis Filippov

    Index Scriptorium Estoniae

    Filippov, Madis

    2011-01-01

    Kaitseminister Mart Laari kinnitusel saab uueks kaitseväe juhatajaks brigaadikindral Riho Terras. President Toomas Hendrik Ilvese, endise kaitseministri Jaak Aaviksoo ja endise kaitseväe juhataja Tarmo Kõutsi arvamus

  14. E- Maksuametis saab tulusid deklareerida alates 15. veebruarist / Hannes Udde

    Index Scriptorium Estoniae

    Udde, Hannes

    2006-01-01

    Info 2005. aasta tulude (elektroonilise) deklareerimise kohta. Sama ka Võrumaa Teataja 28. jaan. 2006, lk. 6 ; Vooremaa 28. jaan. 2006, lk. 3, artiklis pealkiri kujul: Kuidas tuleb oma tulusid deklareerida ; Sõnumitooja 1. veeb. 2006, lk. 6 ; Meie Maa 1. veeb. 2006, lk. 4 ; Sakala 2. veeb. 2006, lk. 5, pealkiri kujul: Deklareerimine läheb lahti. ; Virumaa Teataja 2. veeb. 2006, lk. 9, pealkiri kujul: Maksumaksjad valmistuvad tulude deklareerimiseks. ; Vali Uudised 1. veeb. 2006, lk. 7 ; Valgamaalane 2. veeb. 2006, lk. 4, pealkiri kujul: E-maksuametis saab tulusid deklareerida ; Kuulutaja 3. veeb. 2006, lk. 11 ; Lääne Elu 7. veeb. 2006, lk. 2 ; Virumaa Nädalaleht 3. veeb. 2006, lk. 3 ; Hiiu Leht 10. veeb. 2006, lk. 5, pealkiri kujul: Maksumaksjad valmistuvad tulude deklareerimiseks ; Järva Teataja 16. veeb. 2006, lk. 2, pealkiri kujul: E-maksuamet alustas taas

  15. Suur päästmisoperatsioon: Volvo päästetud, Saab mitte / Raivo Murde

    Index Scriptorium Estoniae

    Murde, Raivo

    2011-01-01

    2010. a. sai Volvo uueks omanikuks Hiina firma Geely, sel aastal loodetakse Volvosid müüa 20% rohkem kui mullu. Volvot juhitakse nagu eraldiseisvat firmat, juhatus koosneb peamiselt rootslastest. Saab loodab, et Hiina valitsus kiidab heaks lepingu kahe Hiina firmaga, et müüa ja kohapeal kokku panna autosid sealse turu jaoks

  16. Fuel Economy and Emissions of the Ethanol-Optimized Saab 9-5 Biopower

    Energy Technology Data Exchange (ETDEWEB)

    West, Brian H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lopez, Alberto J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Theiss, Timothy J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Graves, Ronald L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Storey, John M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lewis, Samuel A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2007-01-01

    Owing to renewed and growing interest in increased ethanol utilization in the U.S., a European-specification 2007 Saab 9-5 Biopower 2.0t was acquired by the Department of Energy and Oak Ridge National Laboratory (ORNL) for benchmark evaluations. This report details the results of these evaluations.

  17. 32. keskkoolis saab jälle teatriharidust / Liisa-Indra Kärt

    Index Scriptorium Estoniae

    Kärt, Liisa-Indra

    2003-01-01

    Alates sügisest saab 32. keskkoolis jälle õppida teatrieriala, 29.03 toimunud vastuvõtukatsetel osales 50 teatrihuvilist noort. Konkurss treatriklassi oli ootamatult tihe, teatriklass tegutses 32. koolis alates selle loomisest aastal 1971-1980

  18. Ettevõtja saab raha ka otse Brüsselist / Silva Männik

    Index Scriptorium Estoniae

    Männik, Silva, 1974-

    2004-01-01

    Lisaks mitmetele Eesti asutustele, mis alates sellest aastast EL-i struktuurifondide kaudu raha jagama hakkavad, on ettevõtjatel võimalik taotleda erinevate programmide kaudu raha ka otse EL-i eelarvest. Lisa: Otse saab raha taotleda mitmest programmist

  19. President Ilves saab uue luksus-Audi peenraha eest / Kadri Paas

    Index Scriptorium Estoniae

    Paas, Kadri, 1982-

    2007-01-01

    President Toomas Hendrik Ilves saab 2007. a. oktoobris uue ametiauto Audi A8 autofirmalt ülisuure allahindlusega. Presidendi kantselei korraldatud hanke võitis Reval Auto. Uus Audi maksab presidendi avalike suhete nõuniku Toomas Sildami sõnul 1 278 951 krooni. Igakuine liisingumakse on 5362 krooni.

  20. Osa Pärnu poliitikuid saab ärimeestelt igakuist tasu / Teet Roosaar

    Index Scriptorium Estoniae

    Roosaar, Teet, 1963-

    2005-01-01

    Kuigi Pärnu uus linnavalitsus kärpis volikogu liikmete äriühingute nõukogudest makstavat tasu poole väiksemaks, saab osa poliitikuid endiselt lisasissetulekut, teiste seas linnakassast doteeritavalt Pärnu ATP-lt

  1. Iga tööotsija saab isikliku tegutsemiskava / Eva Kübar

    Index Scriptorium Estoniae

    Kübar, Eva

    2006-01-01

    Alates 2006. aastast saab iga töötu isikliku tööotsimiskava, mille täitmist hakkab jälgima tööturuamet. Lisa: Individuaalne tööotsimiskava. Ilmunud ka: ; Postimees : na russkom jazõke 4. jaan. lk. 3

  2. Tallinna volikogu saab sünnipäevaks 100 000 krooni maksva seinavaiba / Kadri Paas

    Index Scriptorium Estoniae

    Paas, Kadri, 1982-

    2007-01-01

    Tallinna volikogu saab 130. sünnipäevaks istungitesaali seinale linna heraldilise vapilipu motiividel gobelääni. Vaiba autor Merike-Viivi Männi. Käsitöögobeläänil on kolm sinist lõvi kollasel taustal, Tallinna heraldilise vapilipu motiivid. Vt. samas: Volikogu sai mullu 32 000-kroonise lühtri; President Ilves eelistas Türgi vaipu. Presidendi kantselei sõlmis 5. aprillil 2007 osaühinguga ISP Factum vaibaostulepingu, et muretseda presidendi töö- ja esindusruumidesse ning ametikorterisse 12 türgi villast käsitöövaipa

  3. Varssavi börs saab tänavu enam kui poolsada uustulnukat / Annika Matson

    Index Scriptorium Estoniae

    Matson, Annika, 1976-

    2005-01-01

    Ilmunud ka: Delovõje Vedomosti 16. märts lk. 29. Hollandi panga ING Securities Varssavi analüütik Piotr Palenik on kindel et sealsetesse börsifirmadesse voolab hetkel suurel hulgal välisinvestorite raha ning seetõttu on börsile tulemas rekordarv firmasid. Tabel: Suuremad Poola ettevõtted, mis tulevad tänavu börsile. Vt. samas: Välismaale investeerimise piirang; Eesti investor saab osta kõiki Varssavi börsi aktsiaid

  4. Uusi lasteaedu saab ehitada juba tänavu / Urve Palo

    Index Scriptorium Estoniae

    Palo, Urve, 1972-

    2008-01-01

    Ilmunud ka: Põhjarannik ja Severnoje Poberezhje 1. juuli lk. 2, Sõnumitooja ja Sakala 2. juuli lk. 2, Nädaline 3. juuli lk. 4, Meie Maa 7. juuli lk. 2, Vooremaa 10. juuli lk. 2. Linnade ja valdade lasteaedade ehitamiseks ja renoveerimiseks saavad toetust üle poole abi taotlejatest, riik saab eraldada nelja aasta jooksul 625 mln. krooni, lasteaedade investeerimisprogrammi kaudu rahastatakse 16 lasteaia ehitust ja 56 lasteaia renoveerimist, sel aastal luuakse riigi toetusel juurde üle 600 lasteaiakoha. Rahvastikuminister on veendunud, et riik peab programmi jätkama

  5. Rüütel saab poehinnast kolm korda odavama Audi / Küllike Rooväli

    Index Scriptorium Estoniae

    Rooväli, Küllike, 1969-

    2002-01-01

    Presidendi uueks ametiautoks saab Audi A8 4,2 Lang quattro. Audi tehas alandas presidendidele pakutava auto hinda ligi kolm korda. Pressinõunik Ester Šanki, Reval Auto juhi Aivar Toompere ja Silberauto pressiesindaja Üllar Borni kommentaarid

  6. Eesti vetesse trügiv Gazprom saab suure relvastatud üksuse / Lauri Linnamäe

    Index Scriptorium Estoniae

    Linnamäe, Lauri

    2007-01-01

    Ilmunud ka: Postimees : na russkom jazõke, 17. apr. 2007, lk. 5. Vene gaasimonopol Gazprom saab Vene riigilt ilmselt volitused Läänemerre plaanitava gaasijuhtme kaitsmiseks tuhandeist võitlejaist koosneva hästirelvastatud eraarmee loomiseks, riigiduumas algatatud vastavast seaduseelnõust. Parlamendiliikmete Igor Gräzini ja Marko Mihkelsoni arvamused sõjalis-poliitilistest ohtudest. Skeem: Gazprom võib tuua eraarmee Vene-Saksa gaasijuhet kaitsma

  7. Planeering kui kaasaegne teos par excellence : kas tulevikku saab välja mõelda? = The plan as a contenporary work par excellence : can the future be made up? / Toomas Tammis

    Index Scriptorium Estoniae

    Tammis, Toomas, 1969-

    2011-01-01

    Tulevikku saab kavandada läbi visioonide, läbi erinevate erialade teadmistest kokku lõimunud loomingulise akti, mis ei saa kunagi olla liiga täpne. Planeering saab olla teatav süsteem, mis suudab lõputult produtseerida väikseid üsna täpselt koha- ja keskkonnatundlikke produkte, jäädes ise pidevasse loomisse ning pooleliolekusse, olles pidevas interaktsioonis ühiskonnaga viimast lõputult monitoorides ja muutes

  8. "Vedes päi elo tulob..." = "Veest saab elu alguse..." : [luuletused] / Miikul Pahomov ; tlk. Jaan Õispuu

    Index Scriptorium Estoniae

    Pahomov, Miikul

    2006-01-01

    Sisu: "Vedes päi elo tulob..." = "Veest saab elu alguse..." ; "Ei skuup voi pajatada denguush..." = "Ei kooner rahast laulda või..." ; "Coma neicud lyydilaane..." = "Kaunis neiu, lüüdi neiu..." ; "Olizhbo purjeh..." = "Oleks puri mul..." ; "Mi om meiden lyhyd elo..." = "Mis on meie pisku elu..." ; "Sinizhed lindud..." = "Sinised linnud..." ; "Ole, kaivo, puhtaz..." = "Ole, allik, puhas..." ; "Pimedas..." = "Pimedas..." ; Ken miä olen? = Kes ma olen ; Lüüdiland = Lüüdiland ; "Sa kuna mäned, minun rahvaz..." = "Kuhu lähed sa, minu rahvas..." ; Minu kibu - minun mua = Minu valu on minu maa ; Lüüdikiel̀ = Lüüdi keel ; Dälgmäizhed = Viimased ; Kand da latv = Känd ja latv ; Kardàlaine külü = Karjala saun ; Petruskoi = Petruskoi ; "Tägä Suomen taivhan al..." = "Siinse soome taeva all..." ; Viiburin - Piiterin tiel = Viiburi - Piiteri teel

  9. Evaluating autoimmunity markers (TPO Ab, Tg Ab and TM Ab in hypothyroid patients of Bushehr province

    Directory of Open Access Journals (Sweden)

    Iraj Nabipour

    2005-09-01

    Full Text Available Background: Chronic autoimmune thyroiditis (Hashimoto's Thyroiditis is the common cause of primary hypothyroidism in iodine sufficient countries. Iran is named an iodine sufficient country, in this century. Methods: A total of 88 hypothyroid patients, on suppressing dose of levothyroxine who were followed in a university endocrine disorder clinic were evaluated for serum thyroid autoimmunity markers: thyroid peroxidase antibody (TPO Ab, thyroglobulin antibody (Tg Ab and thyroid microsomal antibody (TM Ab using ELISA method. Results: The prevalence of TPO Ab, Tg Ab and TM Ab were 73.9%, 45.5% and 71.6%, respectively. Among the patients with high level of TPO Ab (> 75 u/ml, 45.3% had grade 1 or 2 of goiter (P< 0.05. Conclusion: Autoimmune thyroid disease (Hashimoto's thyroiditis is the most common cause of hypothyroidism in Bushehr province.

  10. AB Manpower Plan 2007

    CERN Document Server

    Myers, Stephen

    2007-01-01

    The present exercise is not as such a "manpower plan" but a purely budgetary comparison of known plus requested resources with the known commitments over the period 2007-2012. From a purely budgetary point of view, AB will have the capacity to maintain all those recently hired staff who fulfill the criteria for long term employment at CERN. Following this budgetary exercise, AB proposes to perform a CERN-wide staff work plan so as to compare the manpower available to the quantity of work to be done in the totality of the work-packages. If there is a significant mismatch between these two quantities then we propose the following measures which would create personnel economies and allow us to redress the mismatch by increased recruitment: a new job severance scheme; CERN restructuring; use of the new CERN-ITER agreement; more flexibility in transfers from Materials to Personnel budgets. Failing this a re-examination of possible closure of lower priority facilities may be needed.

  11. Tallinna ülikooli uueks südameks saab avar loovainete hoovimaja / Mari Kodres

    Index Scriptorium Estoniae

    Kodres, Mari

    2009-01-01

    Tallinna Ülikooli linnaku arhitektuurivõistluse võitsid Salto AB OÜ arhitektid Ralf Lõoke, Karli Luik ja Maarja Kask. Ülikoolil on soov kujundada peamiselt Balti Filmi- ja Meediakoolile koduks saavast hoonest ning hoovialast ülikooli uus süda. Uute õppekavadena pakub Tallinna Ülikool tuleva aasta sügisest magistritasemel infotehnoloogia ettevõtluse ja haridustehnoloogia õpet, doktoriõppe tasemel infoühiskonna tehnoloogia õpet

  12. Ab-initio ZORA calculations

    NARCIS (Netherlands)

    Faas, S.; Snijders, Jaap; van Lenthe, J.H.; HernandezLaguna, A; Maruani, J; McWeeny, R; Wilson, S

    2000-01-01

    In this paper we present the first application of the ZORA (Zeroth Order Regular Approximation of the Dirac Fock equation) formalism in Ab Initio electronic structure calculations. The ZORA method, which has been tested previously in the context of Density Functional Theory, has been implemented in

  13. CDKN2A/B

    Science.gov (United States)

    Kong, Yahui; Sharma, Rohit B; Ly, Socheata; Stamateris, Rachel E; Jesdale, William M; Alonso, Laura C

    2018-02-06

    Genome-wide association studies link the CDKN2A/B locus with T2D risk, but mechanisms increasing risk remain unknown. The CDKN2A/B locus encodes cell cycle inhibitors p14 , p15 , and p16, MTAP, and ANRIL , a lncRNA. The goal of this study was to determine whether CDKN2A/B T2D risk-SNPs impact locus gene expression, insulin secretion, or beta cell proliferation, in human islets. Islets from non-diabetic donors (n=95) were tested for SNP genotype ( rs10811661 , rs2383208 , rs564398 , rs10757283 ), gene expression ( p14 , p15 , p16 , MTAP , ANRIL , PCNA , KI67 , CCND2 ), insulin secretion (n=61) and beta cell proliferation (n=47). Intriguingly, locus genes were co-regulated in islets in two physically overlapping cassettes: p14 - p16-ANRIL , which increased with age, and MTAP - p15 , which did not. Risk-alleles at rs10811661 and rs2383208 were differentially associated with expression of ANRIL , but not p14 , p15, p16 or MTAP , in age-dependent fashion, such that younger homozygous-risk donors had higher ANRIL expression, equivalent to older donor levels. We identified several risk-SNP haplotype combinations that may impact locus gene expression, suggesting possible mechanisms by which SNPs impact locus biology. Risk-allele carriers at ANRIL coding SNP rs564398 had reduced beta cell proliferation index. In conclusion, CDKN2A/B locus SNPs may impact T2D risk by modulating islet gene expression and beta cell proliferation. © 2018 by the American Diabetes Association.

  14. AP calculus AB/BC

    CERN Document Server

    Schwartz, Stu

    2013-01-01

    All Access for the AP® Calculus AB & BC Exams Book + Web + Mobile Everything you need to prepare for the Advanced Placement® exam, in a study system built around you! There are many different ways to prepare for an Advanced Placement® exam. What's best for you depends on how much time you have to study and how comfortable you are with the subject matter. To score your highest, you need a system that can be customized to fit you: your schedule, your learning style, and your current level of knowledge. This book, and the free online tools that come with it, will help you personalize your AP® Cal

  15. ABS: Sequence alignment by scanning

    KAUST Repository

    Bonny, Mohamed Talal

    2011-08-01

    Sequence alignment is an essential tool in almost any computational biology research. It processes large database sequences and considered to be high consumers of computation time. Heuristic algorithms are used to get approximate but fast results. We introduce fast alignment algorithm, called Alignment By Scanning (ABS), to provide an approximate alignment of two DNA sequences. We compare our algorithm with the well-known alignment algorithms, the FASTA (which is heuristic) and the \\'Needleman-Wunsch\\' (which is optimal). The proposed algorithm achieves up to 76% enhancement in alignment score when it is compared with the FASTA Algorithm. The evaluations are conducted using different lengths of DNA sequences. © 2011 IEEE.

  16. Võidusammas saab valgustuse novembriks

    Index Scriptorium Estoniae

    2010-01-01

    Tallinnasse püstitatud Vabadussõja võidusamba uue valguslahenduse rajamiseks tegid parima pakkumise AS Merko Ehitus ja OÜ Alter Electric. Monumendi sisevalgustus valmib hiljemalt novembri alguseks

  17. Kõrgkoolidesse saab astuda internetis

    Index Scriptorium Estoniae

    2006-01-01

    Veebipõhise infosüsteemiga SAIS on ühinenud 12 kõrgkooli : Audentese Ülikool, Estonian Business School, Kaitseväe Ühendatud Õppeasutused, Tallinna Ülikool, Eesti Infotehnoloogia Kolledž, Tallinna Tehnikaülikool, Eesti Kunstiakadeemia, Tartu Tervishoiu Kõrgkool, Tartu Ülikool, Eesti Maaülikool, Tallinna Tervishoiu Kõrgkool ja Eesti-Ameerika Äriakadeemia

  18. Pensioni saab endiselt postkontorist

    Index Scriptorium Estoniae

    2008-01-01

    Veebruaris 2009 jõustuvast seadusemuudatusest pensionide kojukande kohta. Ilmunud ka Virumaa Teataja 28. nov. 2008, lk. 4 ; Koit 27. nov. 2008, lk. 2 ; Vooremaa 27. nov. 2008, lk. 3 ; Järva Teataja 27. nov. 2008, lk. 4 ; Nädaline 27. nov. 2008, lk. 5 ; Lääne Elu 27. nov. 2008, lk. 5 ; Sakala 28. nov. 2008, lk. 5 ; Pärnu Postimees 28. nov. 2008, lk. 18 ; Vooremaa 11. dets. 2008, lk. 2

  19. Kadrioru supelmajast saab korterelamu

    Index Scriptorium Estoniae

    2013-01-01

    Esimene merekuurort alustas tegevust 1812. a Tallinna lähistel Kadriorus, kus Benedict Georg Witte avas lõbustus- ja kümblusasutuse oma Wittenhofi (Wittenau) suvemõisas. Ainus supelasutuse säilinud hoone ehitatakse ümber korterelamuks

  20. Võidusammas saab kliimaseadme

    Index Scriptorium Estoniae

    2009-01-01

    Tšehhi firma Sans Souci paigaldab Tallinnas Vabadussõja võidusamba sisemusse täiendava kliimaseadme ning alustab samba ristiosa sisse LED-paneelide ja elektrisüsteemi taaspaigaldamist. Suletakse vuugivahed. Garantiiremont peab olema lõpetatud 15. detsembriks

  1. Võidusammas saab uue kliimaseadme

    Index Scriptorium Estoniae

    2009-01-01

    Tallinnasse püstitatud Vabadussõja võidusamba remonttöödest. Monumendi ristiosast eemaldatakse niiskusest kahjustatud valgustussüsteem, suletakse samba vuugivahed ja paigaldatakse täiendav kliimaseade. Töid teostab Tšehhi firma Sans Souci

  2. Co-continuous polycarbonate/ABS blends

    NARCIS (Netherlands)

    Inberg, J.P.F.; Gaymans, R.J.

    2002-01-01

    Co-continuous PC/ABS (50/50) blends were studied with a variable polybutadiene (PB) content (0–40%) in ABS. Polycarbonate (PC), styrene-acrylonitrile (SAN) and PB were blended in two steps using a twin screw extruder. Rectangular bars were injection moulded and notched Izod impact tested at

  3. Solvent (acetone-butanol: ab) production

    Science.gov (United States)

    This article describes production of butanol [acetone-butanol-ethanol, (also called AB or ABE or solvent)] by fermentation using both traditional and current technologies. AB production from agricultural commodities, such as corn and molasses, was an important historical fermentation. Unfortunately,...

  4. AP calculus AB & BC crash course

    CERN Document Server

    Rosebush, J

    2012-01-01

    AP Calculus AB & BC Crash Course - Gets You a Higher Advanced Placement Score in Less Time Crash Course is perfect for the time-crunched student, the last-minute studier, or anyone who wants a refresher on the subject. AP Calculus AB & BC Crash Course gives you: Targeted, Focused Review - Study Only What You Need to Know Crash Course is based on an in-depth analysis of the AP Calculus AB & BC course description outline and actual AP test questions. It covers only the information tested on the exams, so you can make the most of your valuable study time. Written by experienced math teachers, our

  5. Topological Semimetals Studied by Ab Initio Calculations

    Science.gov (United States)

    Hirayama, Motoaki; Okugawa, Ryo; Murakami, Shuichi

    2018-04-01

    In topological semimetals such as Weyl, Dirac, and nodal-line semimetals, the band gap closes at points or along lines in k space which are not necessarily located at high-symmetry positions in the Brillouin zone. Therefore, it is not straightforward to find these topological semimetals by ab initio calculations because the band structure is usually calculated only along high-symmetry lines. In this paper, we review recent studies on topological semimetals by ab initio calculations. We explain theoretical frameworks which can be used for the search for topological semimetal materials, and some numerical methods used in the ab initio calculations.

  6. Modeling study of the ABS relay valve

    Science.gov (United States)

    Lei, Ming; Lin, Min; Guo, Bin; Luo, Zai; Xu, Weidong

    2011-05-01

    The ABS (anti-lock braking system) relay valve is the key component of anti-lock braking system in most commercial vehicles such as trucks, tractor-trailers, etc. In this paper, structure of ABS relay valve and its work theory were analyzed. Then a mathematical model of ABS relay valve, which was investigated by dividing into electronic part, magnetic part, pneumatic part and mechanical part, was set up. The displacement of spools and the response of pressure increasing, holding, releasing of ABS relay valve were simulated and analyzed under conditions of control pressure 500 KPa, braking pressure 600 KPa, atmospheric pressure 100 KPa and air temperature 310 K. Thisarticle provides reliable theory for improving the performance and efficiency of anti-lock braking system of vehicles.

  7. Is it time to repair a Fairly Fast SAAB Convertible? Testing an evidence-based mnemonic for the secondary prevention of cardiovascular disease.

    Science.gov (United States)

    Chin, Jialiang; Fulcher, Jordan; Jenkins, Alicia; Keech, Anthony

    2015-05-01

    Optimising secondary prevention of cardiovascular disease has the greatest potential to reduce recurrent events, yet despite major guidelines there are ongoing treatment gaps. FFSAABC (Fish oils, Fibrates, Statins, Aspirin, Angiotensin converting enzyme inhibitors or angiotensin 2 receptor antagonists, Beta blockers and Clopidogrel) is one mnemonic previously adopted to assist clinicians in remembering medications for use in secondary prevention. The aim of this narrative review is to examine the current evidence base for medications recommended for patients with established cardiovascular disease and the current applicability of this, or a revised mnemonic for their use. Randomised controlled trials and systematic reviews were sought examining Fish oils, Fibrates, Statins, Aspirin, Angiotensin converting enzyme inhibitors or angiotensin 2 receptor antagonists, Beta blockers or Clopidogrel vs placebo in secondary prevention. The emerging evidence base for other contemporary therapies including the P2Y12 inhibitors (ticagrelor and prasugrel) and aldosterone antagonists was also reviewed. Definitive evidence supports the use of statins, aspirin, angiotensin converting enzyme inhibitors or angiotensin 2 receptor antagonists, and P2Y12 antagonists (clopidogrel, ticagrelor or prasugrel) for the secondary prevention of cardiovascular disease. Aldosterone antagonists have strong evidence in the presence of systolic heart failure. There is a weaker evidence base for the routine use of omega-3 fatty acid supplementation although this therapy carries minimal harms. Fenofibrate reduces cardiovascular events in dyslipidaemic patients, with additional benefits in patients with diabetes. Mnemonic upgrading from a Fairly Fast SAAB Convertible to a Fairly Fast SA(2)A(2)B (Fish oils, Fibrate, Statin, Antiplatelets (Aspirin+Other), ACE/ARB, Aldosterone Antagonist, Beta-blocker) may help to ensure patients receive best practice evidence-based pharmacotherapies for the secondary

  8. Ab initio valence calculations in chemistry

    CERN Document Server

    Cook, D B

    1974-01-01

    Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital and valence bond methods; practical molecular wave functions; and molecular integrals. Open shell systems, molecular symmetry, and localized descriptions of electronic structure are also discussed. This book is comprised of 13 chapters and begins by introducing the reader to the use of the Schrödinge

  9. MELCOR 1.8.2 assessment: Aerosol experiments ABCOVE AB5, AB6, AB7, and LACE LA2

    Energy Technology Data Exchange (ETDEWEB)

    Souto, F.J.; Haskin, F.E. [Univ. of New Mexico, Albuquerque, NM (United States). Dept. of Chemical and Nuclear Engineering; Kmetyk, L.N. [Sandia National Labs., Albuquerque, NM (United States)

    1994-10-01

    The MELCOR computer code has been used to model four of the large-scale aerosol behavior experiments conducted in the Containment System Test Facility (CSTF) vessel. Tests AB5, AB6 and AB7 of the ABCOVE program simulate the dry aerosol conditions during a hypothetical severe accident in an LMFBR. Test LA2 of the LACE program simulates aerosol behavior in a condensing steam environment during a postulated severe accident in an LWR with failure to isolate the containment. The comparison of code results to experimental data show that MELCOR is able to correctly predict most of the thermal-hydraulic results in the four tests. MELCOR predicts reasonably well the dry aerosol behavior of the ABCOVE tests, but significant disagreements are found in the aerosol behavior modelling for the LA2 experiment. These results tend to support some of the concerns about the MELCOR modelling of steam condensation onto aerosols expressed in previous works. During these analyses, a limitation in the MELCOR input was detected for the specification of the aerosol parameters for more than one component. A Latin Hypercube Sampling (LHS) sensitivity study of the aerosol dynamic constants is presented for test AB6. The study shows the importance of the aerosol shape factors in the aerosol deposition behavior, and reveals that MELCOR input/output processing is highly labor intensive for uncertainty and sensitivity analyses based on LHS.

  10. Diode laser surgery. Ab interno and ab externo versus conventional surgery in rabbits.

    Science.gov (United States)

    Karp, C L; Higginbotham, E J; Edward, D P; Musch, D C

    1993-10-01

    Fibroblastic proliferation of subconjunctival tissues remains a primary mechanism of failure in filtration surgery. Minimizing the surgical manipulation of episcleral tissues may reduce scarring. Laser sclerostomy surgery involves minimal tissue dissection, and is gaining attention as a method of potentially improving filter duration in high-risk cases. Twenty-five New Zealand rabbits underwent filtration surgery in one eye, and the fellow eye remained as the unoperated control. Ten rabbits underwent ab externo diode laser sclerostomy surgery, ten underwent ab interno diode sclerostomy surgery, and five had posterior sclerostomy procedures. Filtration failure was defined as a less-than-4-mmHg intraocular pressure (IOP) difference between the operative and control eyes. The mean time to failure for the ab externo, ab interno, and conventional posterior sclerostomy techniques measured 17.4 +/- 11.5, 13.1 +/- 6.7, and 6.0 +/- 3.1 days, respectively. In a comparison of the laser-treated groups with the conventional procedure, the time to failure was significantly longer (P = 0.02) for the ab externo filter. The mean ab interno sclerostomy duration was longer than the posterior lip procedure, but this difference was not statistically significant (P = 0.15). The overall level of IOP reduction was similar in the three groups. These data suggest that diode laser sclerostomy is a feasible technique in rabbits, and the ab externo approach resulted in longer filter duration than the conventional posterior lip procedure in this model.

  11. Ab Initio molecular dynamics with excited electrons

    NARCIS (Netherlands)

    Alavi, A.; Kohanoff, J.; Parrinello, M.; Frenkel, D.

    1994-01-01

    A method to do ab initio molecular dynamics suitable for metallic and electronically hot systems is described. It is based on a density functional which is costationary with the finite-temperature functional of Mermin, with state being included with possibly fractional occupation numbers.

  12. Towards hydrogen metallization: an Ab initio approach

    International Nuclear Information System (INIS)

    Bernard, St.

    1998-01-01

    The quest for metallic hydrogen is a major goal for both theoretical and experimental condensed matter physics. Hydrogen and deuterium have been compressed up to 200 GPa in diamond anvil cells, without any clear evidence for a metallic behaviour. Loubeyere has recently suggested that hydrogen could metallize, at pressures within experimental range, in a new Van der Waals compound: Ar(H 2 ) 2 which is characterized at ambient pressure by an open and anisotropic sublattice of hydrogen molecules, stabilized by an argon skeleton. This thesis deals with a detailed ab initio investigation, by Car-Parrinello molecular dynamics methods, of the evolution under pressure of this compound. In a last chapter, we go to much higher pressures and temperatures, in order to compare orbital and orbital free ab initio methods for the dense hydrogen plasma. (author)

  13. POL ABS calibrations 2005-2007

    OpenAIRE

    Moate, B. D.; Thorne, P. D.; Cooke, R. D.; Betteridge, K. F. E.

    2007-01-01

    Suspended inorganic particles (such as sands) strongly scatter incident acoustic pressure waves at MHz frequencies, with the amplitude of the backscattered pressure being related to the mass concentration and nominal size of the particles in suspension. Over the past two decades, this physical premise has led to the development of transducer based Acoustic Backscatter Systems (ABS), usually designed to collect profile measurements at centimetric resolution over a metre or so of the near-bed r...

  14. Ab initio vel ex eventu. II

    Science.gov (United States)

    Thiessen, P. A.; Treder, H.-J.

    Jedes initium wird durch experimenta crucis zum eventus. Jedes theoretisch interpretierbare ex-eventu-Resultat führt auf ein neues Initium. Gerade dies ist die gemeinsame Aussage von Atomistik, Quantenmechanik und Relativitätstheorie.Translated AbstractAb initio vel ex eventu. IIEvery initium becomes an eventus by experimenta crucis. Every theoretically interpretable ex-eventu result leads to a new initium. Right this is the joint assertion of atomism, quantum mechanics, and relativity.

  15. Germacrene D Cyclization: An Ab Initio Investigation

    OpenAIRE

    Setzer, William N.

    2008-01-01

    Essential oils that contain large concentrations of germacrene D are typically accompanied by cadinane sesquiterpenoids. The acid-catalyzed cyclization of germacrene D to give cadinane and selinane sesquiterpenes has been computationally investigated using both density functional (B3LYP/6-31G*) and post Hartree-Fock (MP2/6-31G* *) ab initio methods. The calculated energies are in general agreement with experimentally observed product distributions, both from acid-catalyzed cyclizations as wel...

  16. Ab interno trabeculectomy: patient selection and perspectives

    Science.gov (United States)

    Vinod, Kateki; Gedde, Steven J

    2016-01-01

    Ab interno trabeculectomy is one among several recently introduced minimally invasive glaucoma surgeries that avoid a conjunctival incision and full-thickness sclerostomy involved in traditional glaucoma surgery. Ablation of the trabecular meshwork and inner wall of Schlemm’s canal is performed in an arcuate fashion via a clear corneal incision, alone or in combination with phacoemulsification cataract surgery. Intraocular pressure reduction following ab interno trabeculectomy is limited by resistance in distal outflow pathways and generally stabilizes in the mid-to-high teens. Relief of medication burden has been demonstrated by some studies. A very low rate of complications, most commonly transient hyphema and intraocular pressure elevations in the immediate postoperative period, have been reported. However, available data are derived from small retrospective and prospective case series. Randomized, controlled trials are needed to better elucidate the potential merits of ab interno trabeculectomy in the combined setting versus phacoemulsification cataract surgery alone and to compare it with other minimally invasive glaucoma surgeries. PMID:27574396

  17. Highly scalable Ab initio genomic motif identification

    KAUST Repository

    Marchand, Benoit

    2011-01-01

    We present results of scaling an ab initio motif family identification system, Dragon Motif Finder (DMF), to 65,536 processor cores of IBM Blue Gene/P. DMF seeks groups of mutually similar polynucleotide patterns within a set of genomic sequences and builds various motif families from them. Such information is of relevance to many problems in life sciences. Prior attempts to scale such ab initio motif-finding algorithms achieved limited success. We solve the scalability issues using a combination of mixed-mode MPI-OpenMP parallel programming, master-slave work assignment, multi-level workload distribution, multi-level MPI collectives, and serial optimizations. While the scalability of our algorithm was excellent (94% parallel efficiency on 65,536 cores relative to 256 cores on a modest-size problem), the final speedup with respect to the original serial code exceeded 250,000 when serial optimizations are included. This enabled us to carry out many large-scale ab initio motiffinding simulations in a few hours while the original serial code would have needed decades of execution time. Copyright 2011 ACM.

  18. Undoing Gender Through Legislation and Schooling: the Case of AB 537 and AB 394 IN California, USA

    Science.gov (United States)

    Knotts, Greg

    2009-11-01

    This article investigates California laws AB 537: The Student Safety and Violence Prevention Act of 2000, and the recently enacted AB 394: Safe Place to Learn Act. Both demand that gender identity and sexual orientation be added to the lexicon of anti-harassment protection in public education. However, despite these progressive measures, schools have an unconscious acceptance of heteronormativity and gendered norms, which undermines both the spirit and language of these laws. This paper examines how California schools can both change standard practices and realise the transformative social change that laws like AB 537 and AB 394 can instigate. I assert that the systemic implementation of these laws, through the adoption, enforcement and evaluation of existing AB 537 Task Force Recommendations, is necessary for their success. My second assertion is that AB 537 and AB 394 have the potential to change and reconstitute gender-based and heteronormative standards at school sites.

  19. Germacrene D cyclization: an Ab initio investigation.

    Science.gov (United States)

    Setzer, William N

    2008-01-01

    Essential oils that contain large concentrations of germacrene D are typically accompanied by cadinane sesquiterpenoids. The acid-catalyzed cyclization of germacrene D to give cadinane and selinane sesquiterpenes has been computationally investigated using both density functional (B3LYP/6-31G(*)) and post Hartree-Fock (MP2/6-31G(* *)) ab initio methods. The calculated energies are in general agreement with experimentally observed product distributions, both from acid-catalyzed cyclizations as well as distribution of the compounds in essential oils.

  20. Germacrene D Cyclization: An Ab Initio Investigation

    Directory of Open Access Journals (Sweden)

    William N. Setzer

    2008-01-01

    Full Text Available Essential oils that contain large concentrations of germacrene D are typically accompanied by cadinane sesquiterpenoids. The acid-catalyzed cyclization of germacrene D to give cadinane and selinane sesquiterpenes has been computationally investigated using both density functional (B3LYP/6-31G* and post Hartree-Fock (MP2/6-31G** ab initio methods. The calculated energies are in general agreement with experimentally observed product distributions, both from acid-catalyzed cyclizations as well as distribution of the compounds in essential oils.

  1. Quantum phases of AB2 fermionic chains

    International Nuclear Information System (INIS)

    Murcia-Correa, L S; Franco, R; Silva-Valencia, J

    2016-01-01

    A fermionic chain is a one-dimensional system with fermions that interact locally and can jump between sites in the lattice, in particular an AB n chain type, where A and B are sites that exhibit a difference in energy level of Δ and site B is repeated n-times, such that the unit cell has n +1 sites. A limit case of this model, called the ionic Hubbard model (n = 1), has been widely studied due to its interesting physics and applications. In this paper, we study the ground state of an AB 2 chain, which describes the material R 4 [Pt 2 (P 2 O 5 H 2 ) 4 X] · nH 2 O. Specifically, we consider a filling with two electrons per unit cell, and using the density matrix renormalization group method we found that the system exhibits the band insulator and Mott correlated insulator phases, as well as an intermediate phase between them. For couplings of Δ = 2,10 and 20, we estimate the critical points that separate these phases through the structure factor and the energy gap in the sector of charge and spin, finding that the position of the critical point rises as a function of Δ. (paper)

  2. Popular Herbig AE star AB Aur

    International Nuclear Information System (INIS)

    Shevchenko, V.S.

    1987-01-01

    The variability of AB Aur emission line H α , H β , H γ profiles, equivalent widths (EW λ ) and relative intensity have been observed on the photoelectric scanner. During the 20 d observation period EW λ H α ranged from 23.20 to 35.35 A. Mean EW λ H α is 27.25 A, daily average deviation is 3.60 ± 0.07 A. The minimum time of variability is 1 h . The chromospheric lines near-infrared triplet Ca II and KCaII and emission lines H β -H13, P12-P20, 0I 8446.5 A and the variability of other lines have been studied on the photographic and image-tube spectra. The intensity of these lines and EW λ changed 2-4 times during an interval from 1 h to several years. The AB Aur variability nature of emission lines made it possible to assume that the ''deep chromosphere'' is not a centre-symmetrical or axisymmetrical formation but is a conglomerate of different density and speed gas condensations

  3. Longitudinal wheel slip during ABS braking

    Science.gov (United States)

    Hartikainen, Lassi; Petry, Frank; Westermann, Stephan

    2015-02-01

    Anti-lock braking system (ABS) braking tests with two subcompact passenger cars were performed on dry and wet asphalt, as well as on snow and ice surfaces. The operating conditions of the tyres in terms of wheel slip were evaluated using histograms of the wheel slip data. The results showed different average slip levels for different road surfaces. It was also found that changes in the tyre tread stiffness affected the slip operating range through a modification of the slip value at which the maximum longitudinal force is achieved. Variation of the tyre footprint length through modifications in the inflation pressure affected the slip operating range as well. Differences in the slip distribution between vehicles with different brake controllers were also observed. The changes in slip operating range in turn modified the relative local sliding speeds between the tyre and the road. The results highlight the importance of the ABS controller's ability to adapt to changing slip-force characteristics of tyres and provide estimates of the magnitude of the effects of different tyre and road operating conditions.

  4. Biosorption of Acid Blue 290 (AB 290) and Acid Blue 324 (AB 324) dyes on Spirogyra rhizopus

    International Nuclear Information System (INIS)

    Ozer, Ayla; Akkaya, Goenuel; Turabik, Meral

    2006-01-01

    In this study, the biosorption of Acid Blue 290 and Acid Blue 324 on Spirogyra rhizopus, a green algae growing on fresh water, was studied with respect to initial pH, temperature, initial dye concentration and biosorbent concentration. The optimum initial pH and temperature values for AB 290 and AB 324 biosorption were found to be 2.0, 30 deg. C and 3.0, 25 deg. C, respectively. It was observed that the adsorbed AB 290 and AB 324 amounts increased with increasing the initial dye concentration up to 1500 and 750 mg/L, respectively. The Langmuir, Freundlich, Redlich-Peterson and Koble-Corrigan isotherm models were applied to the experimental equilibrium data and the isotherm constants were determined by using Polymath 4.1 software. The monolayer coverage capacities of S. rhizopus for AB 290 and AB 324 dyes were found as 1356.6 mg/g and 367.0 mg/g, respectively. The intraparticle diffusion model and the pseudo-second order kinetic model were applied to the experimental data in order to describe the removal mechanism of these acidic dyes by S. rhizopus. The pseudo-second order kinetic model described very well the biosorption kinetics of AB 290 and AB 324 dyes. Thermodynamic studies showed that the biosorption of AB 290 and AB 324 on S. rhizopus was exothermic in nature

  5. Biosorption of Acid Blue 290 (AB 290) and Acid Blue 324 (AB 324) dyes on Spirogyra rhizopus

    Energy Technology Data Exchange (ETDEWEB)

    Ozer, Ayla [University of Mersin, Department of Chemical Engineering, 33343 Ciftlikkoey-Mersin (Turkey)]. E-mail: ayozer@mersin.edu.tr; Akkaya, Goenuel [University of Mersin, Department of Chemical Engineering, 33343 Ciftlikkoey-Mersin (Turkey); Turabik, Meral [University of Mersin, Higher Vocational School of Mersin, Chemical Prog., Ciftlikkoey-Mersin (Turkey)

    2006-07-31

    In this study, the biosorption of Acid Blue 290 and Acid Blue 324 on Spirogyra rhizopus, a green algae growing on fresh water, was studied with respect to initial pH, temperature, initial dye concentration and biosorbent concentration. The optimum initial pH and temperature values for AB 290 and AB 324 biosorption were found to be 2.0, 30 deg. C and 3.0, 25 deg. C, respectively. It was observed that the adsorbed AB 290 and AB 324 amounts increased with increasing the initial dye concentration up to 1500 and 750 mg/L, respectively. The Langmuir, Freundlich, Redlich-Peterson and Koble-Corrigan isotherm models were applied to the experimental equilibrium data and the isotherm constants were determined by using Polymath 4.1 software. The monolayer coverage capacities of S. rhizopus for AB 290 and AB 324 dyes were found as 1356.6 mg/g and 367.0 mg/g, respectively. The intraparticle diffusion model and the pseudo-second order kinetic model were applied to the experimental data in order to describe the removal mechanism of these acidic dyes by S. rhizopus. The pseudo-second order kinetic model described very well the biosorption kinetics of AB 290 and AB 324 dyes. Thermodynamic studies showed that the biosorption of AB 290 and AB 324 on S. rhizopus was exothermic in nature.

  6. Biosorption of Acid Blue 290 (AB 290) and Acid Blue 324 (AB 324) dyes on Spirogyra rhizopus.

    Science.gov (United States)

    Ozer, Ayla; Akkaya, Gönül; Turabik, Meral

    2006-07-31

    In this study, the biosorption of Acid Blue 290 and Acid Blue 324 on Spirogyra rhizopus, a green algae growing on fresh water, was studied with respect to initial pH, temperature, initial dye concentration and biosorbent concentration. The optimum initial pH and temperature values for AB 290 and AB 324 biosorption were found to be 2.0, 30 degrees C and 3.0, 25 degrees C, respectively. It was observed that the adsorbed AB 290 and AB 324 amounts increased with increasing the initial dye concentration up to 1500 and 750 mg/L, respectively. The Langmuir, Freundlich, Redlich-Peterson and Koble-Corrigan isotherm models were applied to the experimental equilibrium data and the isotherm constants were determined by using Polymath 4.1 software. The monolayer coverage capacities of S. rhizopus for AB 290 and AB 324 dyes were found as 1356.6 mg/g and 367.0 mg/g, respectively. The intraparticle diffusion model and the pseudo-second order kinetic model were applied to the experimental data in order to describe the removal mechanism of these acidic dyes by S. rhizopus. The pseudo-second order kinetic model described very well the biosorption kinetics of AB 290 and AB 324 dyes. Thermodynamic studies showed that the biosorption of AB 290 and AB 324 on S. rhizopus was exothermic in nature.

  7. Dollarist saab kasvuvaluuta? / Tarvo Vaarmets

    Index Scriptorium Estoniae

    Vaarmets, Tarvo

    2010-01-01

    Investeerimispanga UBS valuutastrateegi Mansoor Mohi-uddin hinnangul näib tõenäoline, et dollaril on järgmise 10 aasta jooksul turgudel valitsevate meeleoludega positiivne seos, sest USA fundamentaalnäitajad tunduvad olevat paremad kui euroalal, Suurbritannias või Jaapanis

  8. Kõrgkooli saab sisse astuda Internetis

    Index Scriptorium Estoniae

    2006-01-01

    Veebipõhise infosüsteemiga SAIS on ühinenud 12 kõrgkooli : Audentese Ülikool, Estonian Business School, Kaitseväe Ühendatud Õppeasutused, Tallinna Ülikool, Eesti Infotehnoloogia Kolledž, Tallinna Tehnikaülikool, Eesti Kunstiakadeemia, Tartu Tervishoiu Kõrgkool, Tartu Ülikool, Eesti Maaülikool, Tallinna Tervishoiu Kõrgkool ja Eesti-Ameerika Äriakadeemia

  9. Muusika saab rõivasteks

    Index Scriptorium Estoniae

    2003-01-01

    Itaalia professori Fabio Sartorelli teaduseksperimendist tõlkida muusikalised noodid ja rütmid mustrite, triipude ja värvide keelde ja kanda need kangale. Itaalia firma Paul & Shark rõivakollektsioonist "Kanna muusikat, mis sulle meeldib"

  10. Mis saab Iraagist? / Aadu Hiietamm

    Index Scriptorium Estoniae

    Hiietamm, Aadu, 1954-

    2004-01-01

    Iraagi Islamipartei teatas otsusest mitte osaleda jaanuaris toimuvatel parlamendivalimistel. Osama bin Laden kutsus iraaklasi üles valimisi boikoteerima. USA endine julgeolekunõunik Zbigniew Brzezinski kritiseeris USA sõda Iraagis

  11. Workshop on automated beam steering and shaping (ABS). Proceedings

    International Nuclear Information System (INIS)

    Lindroos, M.

    1999-01-01

    A workshop on Automated Beam Steering and Shaping (ABS) was held at CERN in December 1998. This was the first workshop dedicated to this subject. The workshop had two major goals: to review the present status of ABS algorithms and systems around the world and to create a worldwide ABS community. These proceedings contain summary reports from all sessions, contributions from several presentations held at the workshop, and a complete set of abstracts for all presentations. (orig.)

  12. Bacillus thuringiensis Cry34Ab1/Cry35Ab1 interactions with western corn rootworm midgut membrane binding sites.

    Directory of Open Access Journals (Sweden)

    Huarong Li

    Full Text Available BACKGROUND: Bacillus thuringiensis (Bt Cry34Ab1/Cry35Ab1 are binary insecticidal proteins that are co-expressed in transgenic corn hybrids for control of western corn rootworm, Diabrotica virgifera virgifera LeConte. Bt crystal (Cry proteins with limited potential for field-relevant cross-resistance are used in combination, along with non-transgenic corn refuges, as a strategy to delay development of resistant rootworm populations. Differences in insect midgut membrane binding site interactions are one line of evidence that Bt protein mechanisms of action differ and that the probability of receptor-mediated cross-resistance is low. METHODOLOGY/PRINCIPAL FINDINGS: Binding site interactions were investigated between Cry34Ab1/Cry35Ab1 and coleopteran active insecticidal proteins Cry3Aa, Cry6Aa, and Cry8Ba on western corn rootworm midgut brush border membrane vesicles (BBMV. Competitive binding of radio-labeled proteins to western corn rootworm BBMV was used as a measure of shared binding sites. Our work shows that (125I-Cry35Ab1 binds to rootworm BBMV, Cry34Ab1 enhances (125I-Cry35Ab1 specific binding, and that (125I-Cry35Ab1 with or without unlabeled Cry34Ab1 does not share binding sites with Cry3Aa, Cry6Aa, or Cry8Ba. Two primary lines of evidence presented here support the lack of shared binding sites between Cry34Ab1/Cry35Ab1 and the aforementioned proteins: 1 No competitive binding to rootworm BBMV was observed for competitor proteins when used in excess with (125I-Cry35Ab1 alone or combined with unlabeled Cry34Ab1, and 2 No competitive binding to rootworm BBMV was observed for unlabeled Cry34Ab1 and Cry35Ab1, or a combination of the two, when used in excess with (125I-Cry3Aa, or (125I-Cry8Ba. CONCLUSIONS/SIGNIFICANCE: Combining two or more insecticidal proteins active against the same target pest is one tactic to delay the onset of resistance to either protein. We conclude that Cry34Ab1/Cry35Ab1 are compatible with Cry3Aa, Cry6Aa, or Cry8Ba

  13. Qualification of NISTmAb charge heterogeneity control assays.

    Science.gov (United States)

    Turner, Abigail; Schiel, John E

    2018-03-01

    The NISTmAb is a monoclonal antibody Reference Material from the National Institute of Standards and Technology; it is a class-representative IgG1κ intended serve as a pre-competitive platform for harmonization and technology development in the biopharmaceutical industry. The publication series of which this paper is a part describes NIST's overall control strategy to ensure NISTmAb quality and availability over its lifecycle. In this paper, the development and qualification of methods for monitoring NISTmAb charge heterogeneity are described. Capillary zone electrophoresis (CZE) and capillary isoelectric focusing (CIEF) assays were optimized and evaluated as candidate assays for NISTmAb quality control. CIEF was found to be suitable as a structural characterization assay yielding information on the apparent pI of the NISTmAb. CZE was found to be better suited for routine monitoring of NISTmAb charge heterogeneity and was qualified for this purpose. This paper is intended to provide relevant details of NIST's charge heterogeneity control strategy to facilitate implementation of the NISTmAb as a test molecule in the end user's laboratory. Graphical Abstract Representative capillary zone electropherogram of the NIST monoclonal antibody (NISTmAb). The NISTmAb is a publicly available research tool intended to facilitate advancement of biopharmaceutical analytics.

  14. Ab initio design of coherent thermal sources

    Science.gov (United States)

    Drevillon, Jérémie; Ben-Abdallah, Philippe

    2007-12-01

    Emission of thermal light from a hot body has been considered for a long time as broadband and quasi-isotropic. Today, we know that this paradigm is wrong and it has been shown that many micro- and nanostructured materials are able to radiate in narrow spectral bands and around specific directions of space. However, so far, only heuristic strategies based on trial and error have been followed for engineering such sources. Here, we present a general method for the ab initio design of coherent thermal sources by using only the first principles of optics. Our results pave the way toward the inverse design of new composite emitting structures for high performance applications in optics.

  15. Ab initio electronic stopping power in materials

    International Nuclear Information System (INIS)

    Shukri, Abdullah-Atef

    2015-01-01

    The average energy loss of an ion per unit path length when it is moving through the matter is named the stopping power. The knowledge of the stopping power is essential for a variety of contemporary applications which depend on the transport of ions in matter, especially ion beam analysis techniques and ion implantation. Most noticeably, the use of proton or heavier ion beams in radiotherapy requires the knowledge of the stopping power. Whereas experimental data are readily available for elemental solids, the data are much more scarce for compounds. The linear response dielectric formalism has been widely used in the past to study the electronic stopping power. In particular, the famous pioneering calculations due to Lindhard evaluate the electronic stopping power of a free electron gas. In this thesis, we develop a fully ab initio scheme based on linear response time-dependent density functional theory to predict the impact parameter averaged quantity named the random electronic stopping power (RESP) of materials without any empirical fitting. The purpose is to be capable of predicting the outcome of experiments without any knowledge of target material besides its crystallographic structure. Our developments have been done within the open source ab initio code named ABINIT, where two approximations are now available: the Random-Phase Approximation (RPA) and the Adiabatic Local Density Approximation (ALDA). Furthermore, a new method named 'extrapolation scheme' have been introduced to overcome the stringent convergence issues we have encountered. These convergence issues have prevented the previous studies in literature from offering a direct comparison to experiment. First of all, we demonstrate the importance of describing the realistic ab initio electronic structure by comparing with the historical Lindhard stopping power evaluation. Whereas the Lindhard stopping power provides a first order description that captures the general features of the

  16. Giant magnetoresistance An ab-initio description

    CERN Document Server

    Binder, J

    2000-01-01

    A new theoretical concept to study the microscopic origin of Giant Magnetoresistance (GMR) from first principles is presented. The method is based on ab-initio electronic structure calculations within the spin density functional theory using a Screened KORRINGA-KOHNROSTOKER method. Scattering at impurity atoms in the multilayers is described by means of a GREEN's-function method. The scattering potentials are calculated self-consistently. The transport properties are treated quasi-classically solving the BOLTZMANN equation including the electronic structure of the layered system and the anisotropic scattering. The solution of the BOLTZMANN equation is performed iteratively taking into account both scattering out and scattering in terms (vertex corrections). The method is applied to Co/Cu and Fe/Cr multilayers. Trends of scattering cross sections, residual resistivities and GMR ratios are discussed for various transition metal impurities at different positions in the Co/Cu or Fe/Cr multilayers. Furthermore the...

  17. Report on enrichment work at AB Atomenergi, 1965-1978

    International Nuclear Information System (INIS)

    Maartensson, M.

    1978-11-01

    A review of the Rand D performed at AB Atomenergi (now Studsvik Energiteknik AB) in the field of enrichment during the period 1965-1978. The report also describes the international development, and discusses the possibilities for continued Swedish efforts in this area. (L.E.)

  18. CRY 1AB trangenic cowpea obtained by nodal electroporation ...

    African Journals Online (AJOL)

    Electroporation-mediated genetic transformation was used to introduce Cry 1 Ab insecticidal gene into cowpea. Nodal buds were electroporated in planta with a plasmid carrying the Cry 1Ab and antibiotic resistance npt II genes driven by a 35S CaMV promoter. T1 seeds derived from electroporated branches were selected ...

  19. 12 CFR Appendixes A-B to Part 41 - [Reserved

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 1 2010-01-01 2010-01-01 false [Reserved] A Appendixes A-B to Part 41 Banks and Banking COMPTROLLER OF THE CURRENCY, DEPARTMENT OF THE TREASURY FAIR CREDIT REPORTING Appendixes A-B to Part 41 [Reserved] ...

  20. Clinicopathological features of type AB thymoma with liver metastases.

    Science.gov (United States)

    Wang, Zhenzheng; Li, Hui; Cao, Hongyan; Zheng, Jinfeng

    2014-01-01

    We studied the clinicopathological features of type AB thymoma with liver metastases and explore the histological types, diagnosis and differential diagnosis, treatment and prognosis for this disease. Liver metastasis specimens were derived from one case of type AB thymoma 5 years after operation and were examined histologically using light microscopy and immunohistochemistry. A comprehensive analysis was performed on the patient's clinical manifestations, histopathology, immunohistochemistry features, differential diagnosis, treatment and prognosis in combination with a review of the relevant literature. Metastases were detected 5 years after initial operation on a 49-year-old, female patient with type AB thymoma. The pathological diagnosis for the liver metastases was type AB thymoma. Immunohistochemistry staining showed CKpan (+), CD3 (+), CD2 (+), TdT (+), CD5 (+), P53 (+), Hep-1 (-), and Ki67-positive cells (25%). The expression level of galectin-3 was higher than in the mediastinal thymoma tissue identified 5 years prior. Liver metastases of type AB thymoma are extremely rare. This case indicated that type AB thymoma with low malignant potential might recur and develop distant metastases. Overexpression of p53, galectin-3 and Ki67 in type AB thymoma might coordinately manipulate the process of development, progression and malignant transformation of type AB thymomas.

  1. Undoing Gender through Legislation and Schooling: The Case of AB 537 and AB 394 in California, USA

    Science.gov (United States)

    Knotts, Greg

    2009-01-01

    This article investigates California laws AB 537: The Student Safety and Violence Prevention Act of 2000, and the recently enacted AB 394: Safe Place to Learn Act. Both demand that gender identity and sexual orientation be added to the lexicon of anti-harassment protection in public education. However, despite these progressive measures, schools…

  2. Structural and biophysical characterization of Bacillus thuringiensis insecticidal proteins Cry34Ab1 and Cry35Ab1.

    Directory of Open Access Journals (Sweden)

    Matthew S Kelker

    Full Text Available Bacillus thuringiensis strains are well known for the production of insecticidal proteins upon sporulation and these proteins are deposited in parasporal crystalline inclusions. The majority of these insect-specific toxins exhibit three domains in the mature toxin sequence. However, other Cry toxins are structurally and evolutionarily unrelated to this three-domain family and little is known of their three dimensional structures, limiting our understanding of their mechanisms of action and our ability to engineer the proteins to enhance their function. Among the non-three domain Cry toxins, the Cry34Ab1 and Cry35Ab1 proteins from B. thuringiensis strain PS149B1 are required to act together to produce toxicity to the western corn rootworm (WCR Diabrotica virgifera virgifera Le Conte via a pore forming mechanism of action. Cry34Ab1 is a protein of ∼14 kDa with features of the aegerolysin family (Pfam06355 of proteins that have known membrane disrupting activity, while Cry35Ab1 is a ∼44 kDa member of the toxin_10 family (Pfam05431 that includes other insecticidal proteins such as the binary toxin BinA/BinB. The Cry34Ab1/Cry35Ab1 proteins represent an important seed trait technology having been developed as insect resistance traits in commercialized corn hybrids for control of WCR. The structures of Cry34Ab1 and Cry35Ab1 have been elucidated to 2.15 Å and 1.80 Å resolution, respectively. The solution structures of the toxins were further studied by small angle X-ray scattering and native electrospray ion mobility mass spectrometry. We present here the first published structure from the aegerolysin protein domain family and the structural comparisons of Cry34Ab1 and Cry35Ab1 with other pore forming toxins.

  3. Ab initio phonon scattering by dislocations

    Science.gov (United States)

    Wang, Tao; Carrete, Jesús; van Roekeghem, Ambroise; Mingo, Natalio; Madsen, Georg K. H.

    2017-06-01

    Heat management in thermoelectric and power devices as well as in random access memories poses a grand challenge and can make the difference between a working and an abandoned device design. Despite the prevalence of dislocations in all these technologies, the modeling of their thermal resistance is based on 50-year-old analytical approximations, whose simplicity was driven by practical limitations rather than physical insight. We introduce an efficient ab initio approach based on Green's functions computed by two-dimensional reciprocal space integration. By combining elasticity theory and density functional theory, we calculate the scattering strength of a 90∘ misfit edge dislocation in Si. Because of the breakdown of the Born approximation, earlier literature models fail, even qualitatively. We find that a dislocation density larger than 109cm-2 is necessary to substantially influence thermal conductivity at room temperature and above. We quantify how much of the reduction of thermal conductivity measured in nanograined samples can be explained by realistic dislocation concentrations.

  4. Ab interno trabeculectomy in the adult patient.

    Science.gov (United States)

    SooHoo, Jeffrey R; Seibold, Leonard K; Kahook, Malik Y

    2015-01-01

    Glaucoma is a potentially blinding disease that affects millions of people worldwide. The mainstay of treatment is lowering of intraocular pressure (IOP) through the use of medications, laser and/or incisional surgery. The trabecular meshwork (TM) is thought to be the site of significant resistance to aqueous outflow in open angle glaucoma. Theoretically, an incision through TM or TM removal should decrease this resistance and lead to a significant reduction in IOP. This approach, commonly referred to as goniotomy or trabeculotomy, has been validated in the pediatric population and has been associated with long-term IOP control. In adults, however, removal of TM tissue has been historically associated with more limited and short-lived success. More recent evidence, reveals that even adult patients may benefit significantly from removal of diseased TM tissue and can lead to a significant reduction in IOP that is long-lasting and safe. In this review, we discuss current evidence and techniques for ab interno trabeculectomy using various devices in the adult patient.

  5. Lifshitz invariants from ab initio lattice dynamics

    Science.gov (United States)

    Schiaffino, Andrea; Stengel, Massimiliano

    The interaction between different order parameters is vital to explain the emergence of new functionalities (hybrid improper ferroelectricity, magnetoelectricity) in multiferroic systems. While considerable theoretical efforts have been directed in the past at studying couplings (e.g. trilinear or biquadratic) that occur in a homogeneous sample, recent research has revealed an increasing number of cases where the interesting physics emerges from inhomogeneities in some order parameter (e.g. flexoelectricity, domain walls), rather than the uniform bulk phase itself. These are usually described in phenomenological theories via symmetry-allowed gradient-mediated terms, the so-called Lifshitz invariants. Here I will present a general method to calculate such couplings ab initio, within the framework of density-functional perturbation theory. I will start with a brief overview on the most challenging aspects of these calculations, i.e. how to deal with the breakdown of the translational symmetry, and with the unusual electrostatic effects that occur in such a regime. Next, I will demonstrate this strategy in practice by presenting calculations of the most relevant gradient coefficients involving strain, octahedral tilts and polarization in ferroelastic SrTiO3. MINECO-Spain through Grants No. FIS2013-48668-C2-2-P and No. SEV-2015-0496, and by Generalitat de Catalunya (Grant No. 2014SRG301).

  6. Boiling treatment of ABS and PS plastics for flotation separation.

    Science.gov (United States)

    Wang, Chong-qing; Wang, Hui; Wu, Bao-xin; Liu, Qun

    2014-07-01

    A new physical method, namely boiling treatment, was developed to aid flotation separation of acrylonitrile-butadiene-styrene (ABS) and polystyrene (PS) plastics. Boiling treatment was shown to be effective in producing a hydrophilic surface on ABS plastic. Fourier Transform Infrared analysis was conducted to investigate the mechanism of boiling treatment of ABS. Surface rearrangement of polymer may be responsible for surface change of boiling treated ABS, and the selective influence of boiling treatment on the floatability of boiling treated plastics may be attributed to the difference in the molecular mobility of polymer chains. The effects of flotation time, frother concentration and particle size on flotation behavior of simple plastic were investigated. Based on flotation behavior of simple plastic, flotation separation of boiling treatment ABS and PS with different particle sizes was achieved efficiently. The purity of ABS and PS was up to 99.78% and 95.80%, respectively; the recovery of ABS and PS was up to 95.81% and 99.82%, respectively. Boiling treatment promotes the industrial application of plastics flotation and facilitates plastic recycling. Copyright © 2014 Elsevier Ltd. All rights reserved.

  7. AB0 blood subgroup allele frequencies in the Turkish population.

    Science.gov (United States)

    Akbas, Fahri; Aydin, Müge; Cenani, Asim

    2003-09-01

    We determined the AB0 blood group system with a PCR based technique termed APLP (Amplified Product Length Polymorphism) in the Turkish population. The method includes ten different allele specific primers and permits identification of the major AB0 genotypes and its suballeles (A1-A2-B-0A-02-0G-AG). The suballeles were amplified in a single tube reaction. We have determined AB0 phenotypes in 129 Turkish individuals. No significant deviation from the Hardy-Weinberg equilibrium was observed.

  8. [Find your way in the jungle of mAbs].

    Science.gov (United States)

    Watier, H

    2017-09-01

    The rapidly increasing number of approved monoclonal antibodies (mAbs) and the huge number of mAbs in clinical development are a matter of concern for who wants to easily identify targets, indications, mechanisms of action and possible adverse effects. The current nomenclature being of limited interest, simple rationales will be presented for helping practitioners in rapidly classify mAbs depending on their structure-pharmacology relationship and in evaluating their potential effects, particularly in transfusion medicine. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  9. Revealing strategies of quorum sensing in Azospirillum brasilense strains Ab-V5 and Ab-V6.

    Science.gov (United States)

    Fukami, Josiane; Abrantes, Julia Laura Fernandes; Del Cerro, Pablo; Nogueira, Marco Antonio; Ollero, Francisco Javier; Megías, Manuel; Hungria, Mariangela

    2018-01-01

    Azospirillum brasilense is an important plant-growth promoting bacterium (PGPB) that requires several critical steps for root colonization, including biofilm and exopolysaccharide (EPS) synthesis and cell motility. In several bacteria these mechanisms are mediated by quorum sensing (QS) systems that regulate the expression of specific genes mediated by the autoinducers N-acyl-homoserine lactones (AHLs). We investigated QS mechanisms in strains Ab-V5 and Ab-V6 of A. brasilense, which are broadly used in commercial inoculants in Brazil. Neither of these strains carries a luxI gene, but there are several luxR solos that might perceive AHL molecules. By adding external AHLs we verified that biofilm and EPS production and cell motility (swimming and swarming) were regulated via QS in Ab-V5, but not in Ab-V6. Differences were observed not only between strains, but also in the specificity of LuxR-type receptors to AHL molecules. However, Ab-V6 was outstanding in indole acetic acid (IAA) synthesis and this molecule might mimic AHL signals. We also applied the quorum quenching (QQ) strategy, obtaining transconjugants of Ab-V5 and Ab-V6 carrying a plasmid with acyl-homoserine lactonase. When maize (Zea mays L.) was inoculated with the wild-type and transconjugant strains, plant growth was decreased with the transconjugant of Ab-V5-confirming the importance of an AHL-mediated QS system-but did not affect plant growth promotion by Ab-V6.

  10. Realization of prediction of materials properties by ab initio ...

    Indian Academy of Sciences (India)

    Unknown

    IMR), Tohoku University, Sendai 980-8577, Japan. Abstract. Ab initio treatment is becoming realistic to predict physical, chemical, and even mechanical pro- perties of academically and industrially interesting materials. There is, however, some ...

  11. Cutaneous horn and thermal keratosis in erythema AB igne

    Directory of Open Access Journals (Sweden)

    Sood Apra

    2002-01-01

    Full Text Available A 46 - year - old Kashmiri lady developed erythema ab igne on both legs. She subsequently developed multiple keratoses and a cutaneous horn in the involved skin. An uncommon association of these three clinical conditions is being presented.

  12. Ab initio adiabatic and quasidiabatic potential energy surfaces of H ...

    Indian Academy of Sciences (India)

    s12039-015-1022-8. Ab initio adiabatic and quasidiabatic potential energy surfaces of H. ++. CN system. BHARGAVA ANUSURI and SANJAY KUMAR. ∗. Department of Chemistry, Indian Institute of Technology Madras, Chennai 600 036, India.

  13. Ab Initio Atomistic Thermodynamics for Surfaces: A Primer

    National Research Council Canada - National Science Library

    Rogal, Jutta; Reuter, Karsten

    2006-01-01

    .... These techniques are referred to as first-principles (or in latin: ab initio) to indicate that they do not rely on empirical or fitted parameters, which then makes them applicable for a wide range of realistic conditions...

  14. Genetics Home Reference: GM2-gangliosidosis, AB variant

    Science.gov (United States)

    ... can be inherited? More about Inheriting Genetic Conditions Diagnosis & Management Resources Genetic Testing (1 link) Genetic Testing Registry: Tay-Sachs disease, variant AB General Information from MedlinePlus (5 ...

  15. Study of the conductivity of Nylon 6/ABS blends

    Science.gov (United States)

    Saman, Mansor Mohamad

    In this research project the study was conducted on conductivity of acrylonitrile butadiene styrene (ABS)/Nylon 6 blend with carbon black as conductive filler. Three different blends of ABS/carbon black, Nylon 6/carbon black and ABS/Nylon 6/carbon black with various compositions were prepared by mixing together by using a single screw extruder. Each compound was reblended to achieve homogeneous mixture and the effect of processing was studied.Conductivity of the low resistance of blends were obtained by measuring sheet resistance using four-point probe as according to ASTM F 1529. The sheet resistance could only be detected for ABS/carbon black 20 wt % and above, and ABS/Nylon 6 with 80:20 ratio with 10 wt % of carbon black. Whereas, for Nylon 6/carbon black blends and the others high resistance of blends, their resistances were measured by Teraohmeter according to ASTM D 257 method. Percolation threshold (critical volume fraction) of the blends was studied to find actual conductive filler contents to avoid deterioration of mechanical properties. In this case, tensile tests were conducted according to ASTM D 638 to establish their mechanical properties. Meanwhile, scanning electron microscopy (SEM) was used to study the morphology of blended polymers, interface of polymer/carbon black and aggregation phenomenon between carbon black and polymers. The correlation between conductivity, mechanical properties and morphological characterisation of all the blends was studied.The results show that, the addition of carbon black up to 10%, increases conductivity and tensile strength of ABS/carbon black and Nylon 6/carbon black blends. Conductivity continues to increase with further addition of carbon black, but at the expense of tensile strength reduction due to the effect of brittle nature of carbon black.By adding ABS in ABS/Nylon 6/carbon black blends, conductivity increases, whereas tensile strength decreases. However, tensile strength of ABS/Nylon 6/carbon black blends

  16. Report on the Personnel Dosimetry at AB Atomenergi during 1965

    Energy Technology Data Exchange (ETDEWEB)

    Edvardsson, K.A.

    1966-10-15

    This report presents the results of the personnel dosimetry at AB Atomenergi during 1965. No doses exceeding the recommendations of ICRP were reported. For AB Atomenergi the average external total body dose during the year was 60 mrem which corresponds to 89.4 manrem. 31200 gamma films and 5850 neutron films were evaluated. 2067 urine analyses and 692 measurements of body activity were made.

  17. Rescue of failed filtering blebs with ab interno trephination.

    Science.gov (United States)

    Shihadeh, Wisam A; Ritch, Robert; Liebmann, Jeffrey M

    2006-06-01

    We evaluated the effectiveness of ab interno automated trephination as a technique for rescuing failed mature filtering blebs. A retrospective chart review of 40 failed blebs of 38 patients who had a posttrephination follow-up period of at least 3 months was done. With success defined as intraocular pressure (IOP) control with other modalities of management. Complications were few. We believe that ab interno trephination is an excellent option for rescuing selected failed filtering blebs.

  18. Report on the Personnel Dosimetry at AB Atomenergi during 1965

    International Nuclear Information System (INIS)

    Edvardsson, K.A.

    1966-10-01

    This report presents the results of the personnel dosimetry at AB Atomenergi during 1965. No doses exceeding the recommendations of ICRP were reported. For AB Atomenergi the average external total body dose during the year was 60 mrem which corresponds to 89.4 manrem. 31200 gamma films and 5850 neutron films were evaluated. 2067 urine analyses and 692 measurements of body activity were made

  19. The 2-alkyl-2H-indazole regioisomers of synthetic cannabinoids AB-CHMINACA, AB-FUBINACA, AB-PINACA, and 5F-AB-PINACA are possible manufacturing impurities with cannabimimetic activities

    OpenAIRE

    Longworth, Mitchell; Banister, Samuel D.; Mack, James B. C.; Glass, Michelle; Connor, Mark; Kassiou, Michael

    2016-01-01

    Indazole-derived synthetic cannabinoids (SCs) featuring an alkyl substituent at the 1-position and l-valinamide at the 3-carboxamide position (e.g., AB-CHMINACA) have been identified by forensic chemists around the world, and are associated with serious adverse health effects. Regioisomerism is possible for indazole SCs, with the 2-alkyl-2H-indazole regioisomer of AB-CHMINACA recently identified in SC products in Japan. It is unknown whether this regiosiomer represents a manufacturing impurit...

  20. Development of orthogonal NISTmAb size heterogeneity control methods.

    Science.gov (United States)

    Turner, Abigail; Yandrofski, Katharina; Telikepalli, Srivalli; King, Jason; Heckert, Alan; Filliben, James; Ripple, Dean; Schiel, John E

    2018-03-01

    The NISTmAb is a monoclonal antibody Reference Material from the National Institute of Standards and Technology; it is a class-representative IgG1κ intended to serve as a pre-competitive platform for harmonization and technology development in the biopharmaceutical industry. The publication series of which this paper is a part describes NIST's overall control strategy to ensure NISTmAb quality and availability over its lifecycle. In this paper, the development of a control strategy for monitoring NISTmAb size heterogeneity is described. Optimization and qualification of size heterogeneity measurement spanning a broad size range are described, including capillary electrophoresis-sodium dodecyl sulfate (CE-SDS), size exclusion chromatography (SEC), dynamic light scattering (DLS), and flow imaging analysis. This paper is intended to provide relevant details of NIST's size heterogeneity control strategy to facilitate implementation of the NISTmAb as a test molecule in the end user's laboratory. Graphical abstract Representative size exclusion chromatogram of the NIST monoclonal antibody (NISTmAb). The NISTmAb is a publicly available research tool intended to facilitate advancement of biopharmaceutical analytics. HMW = high molecular weight (trimer and dimer), LMW = low molecular weight (2 fragment peaks). Peak labeled buffer is void volume of the column from L-histidine background buffer.

  1. Ab initio no core shell model

    Energy Technology Data Exchange (ETDEWEB)

    Barrett, Bruce R. [Univ. of Arizona, Tucson, AZ (United States); Navrátil, Petr [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Vary, James P. [Ames Lab. and Iowa State Univ., Ames, IA (United States)

    2012-11-17

    A long-standing goal of nuclear theory is to determine the properties of atomic nuclei based on the fundamental interactions among the protons and neutrons (i.e., nucleons). By adopting nucleon-nucleon (NN), three-nucleon (NNN) and higher-nucleon interactions determined from either meson-exchange theory or QCD, with couplings fixed by few-body systems, we preserve the predictive power of nuclear theory. This foundation enables tests of nature's fundamental symmetries and offers new vistas for the full range of complex nuclear phenomena. Basic questions that drive our quest for a microscopic predictive theory of nuclear phenomena include: (1) What controls nuclear saturation; (2) How the nuclear shell model emerges from the underlying theory; (3) What are the properties of nuclei with extreme neutron/proton ratios; (4) Can we predict useful cross sections that cannot be measured; (5) Can nuclei provide precision tests of the fundamental laws of nature; and (6) Under what conditions do we need QCD to describe nuclear structure, among others. Along with other ab initio nuclear theory groups, we have pursued these questions with meson-theoretical NN interactions, such as CD-Bonn and Argonne V18, that were tuned to provide high-quality descriptions of the NN scattering phase shifts and deuteron properties. We then add meson-theoretic NNN interactions such as the Tucson-Melbourne or Urbana IX interactions. More recently, we have adopted realistic NN and NNN interactions with ties to QCD. Chiral perturbation theory within effective field theory ({chi}EFT) provides us with a promising bridge between QCD and hadronic systems. In this approach one works consistently with systems of increasing nucleon number and makes use of the explicit and spontaneous breaking of chiral symmetry to expand the strong interaction in terms of a dimensionless constant, the ratio of a generic small momentum divided by the chiral symmetry breaking scale taken to be about 1 GeV/c. The

  2. Study on Exothermic Oxidation of Acrylonitrile-butadiene-styrene (ABS Resin Powder with Application to ABS Processing Safety

    Directory of Open Access Journals (Sweden)

    Jenq-Renn Chen

    2010-08-01

    Full Text Available Oxidative degradation of commercial grade ABS (Acrylonitrile-butadiene-styrene resin powders was studied by thermal analysis. The instabilities of ABS containing different polybutadiene (PB contents with respect to temperature were studied by Differential Scanning Calorimeter (DSC. Thermograms of isothermal test and dynamic scanning were performed. Three exothermic peaks were observed and related to auto-oxidation, degradation and oxidative decomposition, respectively. Onset temperature of the auto-oxidation was determined to be around 193 °C. However, threshold temperature of oxidation was found to be as low as 140 °C by DSC isothermal testing. Another scan of the powder after degeneration in air showed an onset temperature of 127 °C. Reactive hazards of ABS powders were verified to be the exothermic oxidation of unsaturated PB domains, not the SAN (poly(styrene-acrylonitrile matrix. Heat of oxidation was first determined to be 2,800 ± 40 J per gram of ABS or 4,720 ± 20 J per gram of PB. Thermal hazards of processing ABS powder are assessed by adiabatic temperature rise at process conditions. IR spectroscopy associated with heat of oxidation verified the oxidative mechanism, and these evidences excluded the heat source from the degradation of SAN. A specially prepared powder of ABS without adding anti-oxidant was analyzed by DSC for comparing the exothermic behaviors. Exothermic onset temperatures were determined to be 120 °C and 80 °C by dynamic scanning and isothermal test, respectively. The assessment successfully explained fires and explosions in an ABS powder dryer and an ABS extruder.

  3. Polycarbonate and co-continuous polycarbonate/ABS blends: influence of notch radius

    NARCIS (Netherlands)

    Inberg, J.P.F.; Gaymans, R.J.

    2002-01-01

    The influence of notch tip radius in the range of 1–0.002 mm was studied on polycarbonate (PC) and co-continuous PC/acrylonitrile–butadiene–styrene (ABS). Co-continuous PC/ABS blend was obtained by mixing PC and ABS containing 15% polybutadiene (PB) in a twin screw extruder. PC and PC/ABS specimens

  4. TITRATION METHOD OF AB0 ANTIBODIES WITH THE USE OF MODERN GEL TECHNOLOGY IN AB0-INCOMPATIBLE TRANSPLANTATION

    Directory of Open Access Journals (Sweden)

    A. K. Porunova

    2014-01-01

    Full Text Available It is shown that developed method of titrating AB0 antibodies allows defi ning the titer of the investigational antibodies more precisely on 1–3 dilution of serum compared to the prototype method (titration method of antibodiesin saline medium on the plane. It is more obvious as it excludes hardly interpretable results due to the possibility of conducting visual assessment of agglutination reaction in the gel card thick column and requires less time foranalysis. The results can be saved for comparison with the results of further research. That is not possible under prototype titration method. Aim: our aim is to create a laboratory technique that can accurately, reliably and clearly produce titration of AB0 system antibodies, including in patients with low initial concentration of agglutinins in the blood; a technique more economical in terms of spending serum and that takes less time.Materials and methods: those modes were empirically chosen which allow titration of AB0 system agglutinins using gel technology based micro typing; to titer group antibodies 1640 serum assays of recipients in AB0-incompatibletransplantation were analyzed.The result of the use of specially developed method in organ transplantation from incompatible blood donors consists in enhancing accuracy, sensitivity of natural, complete and incomplete AB0 system immune antibodies titration, in its clarity, using of blood micro-doses for earlier detection of sensitizing of the patient, which is especially important in Pediatrics. Conclusion: the developed procedure of AB0-antibodies’ titration using modern gel technology makes possible a more precise monitoring of the titer of antibodies that is necessary to predict the graft rejection risk, to select the Protocol of preoperative preparation and postoperative management of patients, to assess the effectiveness of therapy in patients for whom it is diffi cult to fi nd a compatible blood type donor, and for whom today AB

  5. 40 CFR 174.506 - Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn; exemption from the requirement of...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Bacillus thuringiensis Cry34Ab1 and... Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn are exempted from the requirement of a... REQUIREMENTS FOR PLANT-INCORPORATED PROTECTANTS Tolerances and Tolerance Exemptions § 174.506 Bacillus...

  6. ABS 3D printed solutions for cryogenic applications

    Science.gov (United States)

    Bartolomé, E.; Bozzo, B.; Sevilla, P.; Martínez-Pasarell, O.; Puig, T.; Granados, X.

    2017-03-01

    3D printing has become a common, inexpensive and rapid prototyping technique, enabling the ad hoc fabrication of complex shapes. In this paper, we demonstrate that 3D printed objects in ABS can be used at cryogenic temperatures, offering flexible solutions in different fields. Firstly, a thermo-mechanical characterization of ABS 3D printed specimens at 77 K is reported, which allowed us to delimit the type of cryogenic uses where 3D printed pieces may be implemented. Secondly, we present three different examples where ABS 3D printed objects working at low temperatures have provided specific solutions: (i) SQUID inserts for angular magnetometry (low temperature material characterization field); (ii) a cage support for a metamaterial ;magnetic concentrator; (superconductivity application), and (iii) dedicated tools for cryopreservation in assisted reproductive techniques (medicine field).

  7. Control Performance of Vehicle Abs Featuring ER Valve Pressure Modulator

    Science.gov (United States)

    Cho, M. S.; Choi, S. B.; Wereley, N. M.

    In this work, an electrically controllable anti-lock brake system (ABS) for passenger vehicle is developed by utilizing electrorheological (ER) fluid. A pressure modulator which consists of a cylindrical ER valve and the hydraulic booster is constructed in order to achieve sufficient brake pressure variation during ABS operation. The principal design parameters of the modulator are determined by considering ER properties as well as required braking pressure. After investigating pressure controllability of the modulator, a vehicle model which is integrated with the proposed pressure modulator is formulated to design yaw rate controller. A sliding mode controller is designed to obtain desired yaw rate, and the friction forces between roads and wheels are estimated via the estimator. Braking performances of the proposed ABS under various roads are evaluated through the hardware-in-the-loop-simulation (HILS) and the steering stability during braking operation is demonstrated by undertaking split-μ test.

  8. Wheel slip control of ABS using ER valve pressure modulator

    Science.gov (United States)

    Choi, Seung-Bok; Cho, Myung-Soo; Kim, Yong-Il; Choi, Young-Tai; Wereley, Norman M.

    2004-07-01

    This paper presents a wheel slip control via sliding mode controller for a new anti-lock brake system (ABS) of a passenger vehicle using electrorheological (ER) valve pressure modulator. The principal design parameters of the ER valves and hydraulic booster are appropriately determined by considering braking pressure variation during ABS operation. An electrically controllable pressure modulator using the ER valves is then constructed and its governing equations are derived. Subsequently, the pressure control performance of the new pressure modulator is experimentally evaluated. The governing equations of motion for a quarter car wheel model are derived and the sliding mode controller is formulated for wheel slip control. Hardware in the loop simulation (HILS) for braking performance evaluation is undertaken in order to demonstrate the effectiveness of the proposed ABS associated with the ER valve pressure modulator.

  9. Ab initio simulation of transport phenomena in rarefied gases.

    Science.gov (United States)

    Sharipov, Felix; Strapasson, José L

    2012-09-01

    Ab initio potentials are implemented into the direct simulation Monte Carlo (DSMC) method. Such an implementation allows us to model transport phenomena in rarefied gases without any fitting parameter of intermolecular collisions usually extracted from experimental data. Applying the method proposed by Sharipov and Strapasson [Phys. Fluids 24, 011703 (2012)], the use of ab initio potentials in the DSMC requires the same computational efforts as the widely used potentials such as hard spheres, variable hard sphere, variable soft spheres, etc. At the same time, the ab initio potentials provide more reliable results than any other one. As an example, the transport coefficients of a binary mixture He-Ar, viz., viscosity, thermal conductivity, and thermal diffusion factor, have been calculated for several values of the mole fraction.

  10. Student Measurements of STFA 10AB (Theta Tauri)

    Science.gov (United States)

    Gillette, Sean; Estrada, Chris; Estrada, Reed; Aguilera, Sophia; Chavez, Valerie; Givens, Jalynn; Lindorfer, Sarah; Michels, Kaylie; Mobley, Makenzie; Reder, Gabriel; Renteria, Kayla; Shattles, Jenna; Wilkin, Aiden; Woodbury, Maisy; Rhoades, Breauna; Rhoades, Mark

    2017-04-01

    Eighth grade students at Vanguard Preparatory School measured the double star STFA 10AB using a 22-inch Newtonian Alt/Az telescope and a Celestron Micro Guide eyepiece. Bellatrix was used as the calibration star. The calculated means of multiple observations of STFA 10AB resulted in a separation of 45.18,” a scale constant of 7.88 arcseconds per division, and position angle of 257.9°. These measurements were compared to the most recent values in the Washington Double Star Catalog.

  11. Simplest AB-Thermonuclear Space Propulsion and Electric Generator

    OpenAIRE

    Bolonkin, Alexander

    2007-01-01

    The author applies, develops and researches mini-sized Micro- AB Thermonuclear Reactors for space propulsion and space power systems. These small engines directly convert the high speed charged particles produced in the thermonuclear reactor into vehicle thrust or vehicle electricity with maximum efficiency. The simplest AB-thermonuclear propulsion offered allows spaceships to reach speeds of 20,000 50,000 km/s (1/6 of light speed) for fuel ratio 0.1 and produces a huge amount of useful elect...

  12. Report on the Personnel Dosimetry at AB Atomenergi during 1962

    International Nuclear Information System (INIS)

    Edvardsson, K.A.; Hagsgaard, S.

    1963-12-01

    This report presents the results of the personnel dosimetry at AB Atomenergi during 1962. No doses exceeding the recommendations of ICRP have been reported. The sum of the reported external total body doses (≥ 100 mrem/quarter) is for the whole of AB Atomenergi during this year 74. 2 manrem corresponding to about 50 mrem/year and person or 1 % of the maximum permissible dose. 32500 gamma films and 6200 neutron films have been evaluated. The total number of urine analyses is 2700 and of whole body measurements 10

  13. Stability of A-B phase boundary in a constriction

    Energy Technology Data Exchange (ETDEWEB)

    Viljas, Janne; Thuneberg, Erkki

    2003-05-01

    We report on a Ginzburg-Landau calculation of the stability of a boundary between A and B phases of superfluid {sup 3}He in a two-dimensional constriction. In the macroscopic limit the stability follows a well-known relation, which depends on the surface tension {sigma}{sub AB} of the A-B boundary. In the narrow-constriction limit the surface tension is not well defined, but the interface is always stable, and a weak link between the A and B phases is obtained.

  14. An ABS control logic based on wheel force measurement

    Science.gov (United States)

    Capra, D.; Galvagno, E.; Ondrak, V.; van Leeuwen, B.; Vigliani, A.

    2012-12-01

    The paper presents an anti-lock braking system (ABS) control logic based on the measurement of the longitudinal forces at the hub bearings. The availability of force information allows to design a logic that does not rely on the estimation of the tyre-road friction coefficient, since it continuously tries to exploit the maximum longitudinal tyre force. The logic is designed by means of computer simulation and then tested on a specific hardware in the loop test bench: the experimental results confirm that measured wheel force can lead to a significant improvement of the ABS performances in terms of stopping distance also in the presence of road with variable friction coefficient.

  15. Use of ab initio quantum chemical methods in battery technology

    Energy Technology Data Exchange (ETDEWEB)

    Deiss, E. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Ab initio quantum chemistry can nowadays predict physical and chemical properties of molecules and solids. An attempt should be made to use this tool more widely for predicting technologically favourable materials. To demonstrate the use of ab initio quantum chemistry in battery technology, the theoretical energy density (energy per volume of active electrode material) and specific energy (energy per mass of active electrode material) of a rechargeable lithium-ion battery consisting of a graphite electrode and a nickel oxide electrode has been calculated with this method. (author) 1 fig., 1 tab., 7 refs.

  16. Bruksmakt och maktbruk : Robertsfors AB 1897-1968

    OpenAIRE

    Holmström, Per

    1988-01-01

    This thesis studies seven strategic decisions made in the family-owned forestry company Robertsfors AB, in Northern Sweden. During the present century Ro­bertsfors AB has developed from a patriarchally concern controlled into a capi­talistic industrial company. This also meant a radical change in the decision­making process. Two factors were decisive in this process: the managing direc­tor's values, and altered power relationships both within the company and exter­nally in relation to e g sta...

  17. Ab initio structure determination via powder X-ray diffraction

    Indian Academy of Sciences (India)

    Although the method of structure completion when once the starting model is provided is facile through the Rietveld refinement technique, the structure solution ab initio os still not push-button technology. In this article a survey of the recent development in this area is provided with an illustration of the structure determination ...

  18. Comparative performance of Anigen © FMD NSP Ab ELISA (Korea ...

    African Journals Online (AJOL)

    Comparative performance of Anigen © FMD NSP Ab ELISA (Korea), NSP Priocheck® kit, liquid phase blocking ELISA kits and virus neutralisation tests in the detection of foot and mouth disease virus antibodies in animals sera from Kilifi county, Kenya.

  19. Bicanonical ab Initio Molecular Dynamics for Open Systems.

    Science.gov (United States)

    Frenzel, Johannes; Meyer, Bernd; Marx, Dominik

    2017-08-08

    Performing ab initio molecular dynamics simulations of open systems, where the chemical potential rather than the number of both nuclei and electrons is fixed, still is a challenge. Here, drawing on bicanonical sampling ideas introduced two decades ago by Swope and Andersen [ J. Chem. Phys. 1995 , 102 , 2851 - 2863 ] to calculate chemical potentials of liquids and solids, an ab initio simulation technique is devised, which introduces a fictitious dynamics of two superimposed but otherwise independent periodic systems including full electronic structure, such that either the chemical potential or the average fractional particle number of a specific chemical species can be kept constant. As proof of concept, we demonstrate that solvation free energies can be computed from these bicanonical ab initio simulations upon directly superimposing pure bulk water and the respective aqueous solution being the two limiting systems. The method is useful in many circumstances, for instance for studying heterogeneous catalytic processes taking place on surfaces where the chemical potential of reactants rather than their number is controlled and opens a pathway toward ab initio simulations at constant electrochemical potential.

  20. Cyanogen Azide. Ionization Potentials and Ab Initio SCF MO Calculation

    DEFF Research Database (Denmark)

    Bak, Börge; Jansen, Peter; Stafast, Herbert

    1975-01-01

    The Ne(I) and He(I) photoelectron(PE) spectra of cyanogen azide, NCN3, have been recorded at high resolution. Their interpretation is achieved by comparison with the PE spectrum of HN3 and an ab initio LCGO SCF MO calculation. Deviations from Koopmans' theorem of quite different magnitudes...

  1. Awareness and knowledge of pro-, prebiotics and ab cultures ...

    African Journals Online (AJOL)

    Awareness and knowledge of pro-, prebiotics and ab cultures among yoghurt buyers in four Pretoria suburbs and the factors determining their yoghurt buying decision. ... Their customers were sought after as income may influence functional food purchasing. The results indicated limited respondent awareness and ...

  2. Iron-substituted AB5-type MH electrode

    Indian Academy of Sciences (India)

    substituted AB5-type MH electrode. SUMITA SRIVASTAVAa,∗ and R K UPADHYAYAb. aDepartment of Physics, Government P.G. College, Uttarkashi 249 193, India. bDepartment of Physics, Government P.G. College, Rishikesh 249 201, India.

  3. Move of Purchasing Offices TS – AB* – AT*

    CERN Multimedia

    FI Department

    2008-01-01

    The TS – AB* - AT* Purchasing Offices and the Purchasing Pool have moved to Building 5 – 2nd and *3rd floors. The phone and fax numbers are unchanged. We apologize for any inconvenience caused by the move. Thank you for your understanding. Finance Department – Purchasing Service.

  4. In vitro Antimicrobial Activity of Homonataloin A/B and ...

    African Journals Online (AJOL)

    Homonataloin A/B was found to exhibit good activity against Staphylococcus aureus and all Salmonella spp. tested with MIC value of 25 μg/ml, whilst the activity of homonataloside (MIC = 25 μg/ml) was highest against Vibrio cholerae strains. Among the fungal strains tested, Candida albicans was the most susceptible ...

  5. Quantifying transition voltage spectroscopy of molecular junctions: Ab initio calculations

    DEFF Research Database (Denmark)

    Chen, Jingzhe; Markussen, Troels; Thygesen, Kristian Sommer

    2010-01-01

    Transition voltage spectroscopy (TVS) has recently been introduced as a spectroscopic tool for molecular junctions where it offers the possibility to probe molecular level energies at relatively low bias voltages. In this work we perform extensive ab initio calculations of the nonlinear current...

  6. Projector augmented wave method: ab initio molecular dynamics ...

    Indian Academy of Sciences (India)

    Unknown

    The projector augmented wave method is an all-electron method for efficient ab initio molecular dynamics simulations with full wave functions. .... In that case the muffin–tin approximation is used solely to define the basis set. ..... functions probe the local character of the auxiliary wave function in the atomic region. Examples ...

  7. The Properties of Some Simple Covalent Hydrides: An Ab Initio ...

    African Journals Online (AJOL)

    Some properties of the monomeric binary hydrides of the elements of the first two rows of the periodic table have been determined using ab initio molecular orbital theory. The properties in question are the energetic, structural, electronic, topological and vibrational characteristics. In general, a gradual convergence towards ...

  8. Hydrogen Bond Dynamics in Aqueous Solutions: Ab initio Molecular ...

    Indian Academy of Sciences (India)

    Rate equation for the decay of CHB(t) · Definition of Hydrogen Bonds · Results of Molecular Dynamics · Dynamics of anion-water and water-water hydrogen bonds · Structural relaxation of anion-water & water-water H-bonds · Ab initio Molecular Dynamics : · Slide 14 · Dynamics of hydrogen bonds : CPMD results · Slide 16.

  9. Ab initio calculation of the structural, mechanical and ...

    African Journals Online (AJOL)

    An ab initio plane-wave Pseudopotential calculations using the density functional theory (DFT) implementing the generalised gradient approximation (GGA) to study the structural, elastic constants, phonon dispersion curves, density of state and thermal properties of BeS. Also we calculated the shear modulus, Young's ...

  10. Early stage precipitation in aluminum alloys : An ab initio study

    NARCIS (Netherlands)

    Zhang, X.

    2017-01-01

    Multiscale computational materials science has reached a stage where many complicated phenomena or properties that are of great importance to manufacturing can be predicted or explained. The word “ab initio study” becomes commonplace as the development of density functional theory has enabled the

  11. Further Food for Thought on the "ABS Guide"

    Science.gov (United States)

    Hussain, Simon

    2012-01-01

    This paper replies to points raised by the editors of the "ABS Guide", Huw Morris, Charles Harvey, Aidan Kelly and Michael Rowlinson (2011) "Accounting Education: an international journal", 20(6), pp. 561-573) in response to a paper published in a previous issue of "Accounting Education" (Hussain, S. (2011)…

  12. Computational Experiments with ABS Algorithms for KKT Linear Systems

    Czech Academy of Sciences Publication Activity Database

    Bodon, E.; Del Popolo, A.; Lukšan, Ladislav; Spedicato, E.

    2001-01-01

    Roč. 16, č. 1-4 (2001), s. 85-99 ISSN 1055-6788 R&D Projects: GA ČR GA201/00/0080 Institutional research plan: AV0Z1030915 Keywords : ABS algorithms * KKT systems Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 0.623, year: 2001

  13. Young Modulus of Crystalline Polyethylene from ab Initio Molecular Dynamics

    NARCIS (Netherlands)

    Hageman, J.C.L.; Meier, Robert J.; Heinemann, M.; Groot, R.A. de

    1997-01-01

    The Young modulus for crystalline polyethylene is calculated using ab initio molecular dynamics based on density functional theory in the local density approximation (DFT-LDA). This modulus, which can be seen as the ultimate value for the Young modulus of polyethylene fibers, is found to be 334 GPa.

  14. Food for Thought on the "ABS Academic Journal Quality Guide"

    Science.gov (United States)

    Hussain, Simon

    2011-01-01

    This paper discusses issues relating to the use of the Association of Business Schools' (ABS) "Academic Journal Quality Guide" within UK business schools. It also looks at several specific issues raised by the Chair of the British Accounting Association/British Accounting and Finance Association regarding the ratings for top…

  15. Ab initio molecular dynamics simulation of laser melting of silicon

    NARCIS (Netherlands)

    Silvestrelli, P.-L.; Alavi, A.; Parrinello, M.; Frenkel, D.

    1996-01-01

    The method of ab initio molecular dynamics, based on finite temperature density functional theory, is used to simulate laser heating of crystal silicon. We have found that a high concentration of excited electrons dramatically weakens the covalent bond. As a result, the system undergoes a melting

  16. Ab initio study of phase equilibria in TiCx

    DEFF Research Database (Denmark)

    Korzhavyi, P.A.; Pourovskii, L.V.; Hugosson, H.W.

    2002-01-01

    The phase diagram for the vacancy-ordered structures in the substoichiometric TiCx (x = 0.5-1.0) has been established from Monte Carlo simulations with the long-range pair and multisite effective interactions obtained from ab initio calculations. Three ordered superstructures of vacancies (Ti2C, ...

  17. Ab initio calculations of mechanical properties: Methods and applications

    Czech Academy of Sciences Publication Activity Database

    Pokluda, J.; Černý, Miroslav; Šob, Mojmír; Umeno, Y.

    2015-01-01

    Roč. 73, AUG (2015), s. 127-158 ISSN 0079-6425 R&D Projects: GA ČR(CZ) GAP108/12/0311 Institutional support: RVO:68081723 Keywords : Ab initio methods * Elastic moduli * Intrinsic hardness * Stability analysis * Theoretical strength * Intrinsic brittleness/ductility Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 31.083, year: 2015

  18. Realization of prediction of materials properties by ab initio ...

    Indian Academy of Sciences (India)

    Unknown

    Ab initio treatment is becoming realistic to predict physical, chemical, and even mechanical pro- perties of academically and ... materials under very high pressure in earth by direct method, and prediction of wavelength of emitted light from Na clusters with GW .... observed band gap value for semiconductors. This big. Quasi- ...

  19. Realization of prediction of materials properties by ab initio ...

    Indian Academy of Sciences (India)

    Ab initio treatment is becoming realistic to predict physical, chemical, and even mechanical properties of academically and industrially interesting materials. There is, however, some limitation in size and time of the system up to the order of several hundred atoms and ∼ 1 pico second, even if we use the fastest ...

  20. AB INITIO calculations of magneto-optical effects

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan; Oppeneer, P. M.

    2002-01-01

    Roč. 2, - (2002), s. 141-146 ISSN 1346-7948 R&D Projects: GA AV ČR IAA1010214 Institutional research plan: CEZ:AV0Z1010914 Keywords : electronic structure * ab initio calculation * polar magneto-optical Kerr effect * transitiom metal * uranium intermetallics * CrO 2 Subject RIV: BM - Solid Matter Physics ; Magnetism

  1. Kinesin-2 KIF3AB exhibits novel ATPase characteristics.

    Science.gov (United States)

    Albracht, Clayton D; Rank, Katherine C; Obrzut, Steven; Rayment, Ivan; Gilbert, Susan P

    2014-10-03

    KIF3AB is an N-terminal processive kinesin-2 family member best known for its role in intraflagellar transport. There has been significant interest in KIF3AB in defining the key principles that underlie the processivity of KIF3AB in comparison with homodimeric processive kinesins. To define the ATPase mechanism and coordination of KIF3A and KIF3B stepping, a presteady-state kinetic analysis was pursued. For these studies, a truncated murine KIF3AB was generated. The results presented show that microtubule association was fast at 5.7 μm(-1) s(-1), followed by rate-limiting ADP release at 12.8 s(-1). ATP binding at 7.5 μm(-1) s(-1) was followed by an ATP-promoted isomerization at 84 s(-1) to form the intermediate poised for ATP hydrolysis, which then occurred at 33 s(-1). ATP hydrolysis was required for dissociation of the microtubule·KIF3AB complex, which was observed at 22 s(-1). The dissociation step showed an apparent affinity for ATP that was very weak (K½,ATP at 133 μm). Moreover, the linear fit of the initial ATP concentration dependence of the dissociation kinetics revealed an apparent second-order rate constant at 0.09 μm(-1) s(-1), which is inconsistent with fast ATP binding at 7.5 μm(-1) s(-1) and a Kd ,ATP at 6.1 μm. These results suggest that ATP binding per se cannot account for the apparent weak K½,ATP at 133 μm. The steady-state ATPase Km ,ATP, as well as the dissociation kinetics, reveal an unusual property of KIF3AB that is not yet well understood and also suggests that the mechanochemistry of KIF3AB is tuned somewhat differently from homodimeric processive kinesins. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  2. Perspective: Ab initio force field methods derived from quantum mechanics

    Science.gov (United States)

    Xu, Peng; Guidez, Emilie B.; Bertoni, Colleen; Gordon, Mark S.

    2018-03-01

    It is often desirable to accurately and efficiently model the behavior of large molecular systems in the condensed phase (thousands to tens of thousands of atoms) over long time scales (from nanoseconds to milliseconds). In these cases, ab initio methods are difficult due to the increasing computational cost with the number of electrons. A more computationally attractive alternative is to perform the simulations at the atomic level using a parameterized function to model the electronic energy. Many empirical force fields have been developed for this purpose. However, the functions that are used to model interatomic and intermolecular interactions contain many fitted parameters obtained from selected model systems, and such classical force fields cannot properly simulate important electronic effects. Furthermore, while such force fields are computationally affordable, they are not reliable when applied to systems that differ significantly from those used in their parameterization. They also cannot provide the information necessary to analyze the interactions that occur in the system, making the systematic improvement of the functional forms that are used difficult. Ab initio force field methods aim to combine the merits of both types of methods. The ideal ab initio force fields are built on first principles and require no fitted parameters. Ab initio force field methods surveyed in this perspective are based on fragmentation approaches and intermolecular perturbation theory. This perspective summarizes their theoretical foundation, key components in their formulation, and discusses key aspects of these methods such as accuracy and formal computational cost. The ab initio force fields considered here were developed for different targets, and this perspective also aims to provide a balanced presentation of their strengths and shortcomings. Finally, this perspective suggests some future directions for this actively developing area.

  3. Protective mAbs and Cross-Reactive mAbs Raised by Immunization with Engineered Marburg Virus GPs.

    Directory of Open Access Journals (Sweden)

    Marnie L Fusco

    2015-06-01

    Full Text Available The filoviruses, which include the marburg- and ebolaviruses, have caused multiple outbreaks among humans this decade. Antibodies against the filovirus surface glycoprotein (GP have been shown to provide life-saving therapy in nonhuman primates, but such antibodies are generally virus-specific. Many monoclonal antibodies (mAbs have been described against Ebola virus. In contrast, relatively few have been described against Marburg virus. Here we present ten mAbs elicited by immunization of mice using recombinant mucin-deleted GPs from different Marburg virus (MARV strains. Surprisingly, two of the mAbs raised against MARV GP also cross-react with the mucin-deleted GP cores of all tested ebolaviruses (Ebola, Sudan, Bundibugyo, Reston, but these epitopes are masked differently by the mucin-like domains themselves. The most efficacious mAbs in this panel were found to recognize a novel "wing" feature on the GP2 subunit that is unique to Marburg and does not exist in Ebola. Two of these anti-wing antibodies confer 90 and 100% protection, respectively, one hour post-exposure in mice challenged with MARV.

  4. The melt rheological behavior of AB, ABA, BAB, and (AB)n block copolymers with monodisperse aramide segments

    NARCIS (Netherlands)

    Araichimani, A.; Dullaert, Konraad; Gaymans, R.J.

    2009-01-01

    The melt rheological behavior of segmented block copolymers with high melting diamide (A) hard segments (HS) and polyether (B) soft segments was studied. The block copolymers can be classified as B (monoblock), AB (diblock), ABA (triblock, diamide end segment), BAB (triblock, diamide mid-segment)

  5. Ab initio simulation of dislocation cores in metals; Simulation ab initio des coeurs de dislocation dans les metaux

    Energy Technology Data Exchange (ETDEWEB)

    Ventelon, L. [CEA Saclay, Dept. des Materiaux pour le Nucleaire (DEN/DANS/DMN/SRMP), 91 - Gif-sur-Yvette (France)

    2008-07-01

    In the framework of the multi scale simulation of metals and alloys plasticity, the aim of this study is to develop a methodology of ab initio dislocations study and to apply it to the [111] screw dislocation in the bc iron. (A.L.B.)

  6. Development of Anti-lock Braking System (ABS) for Vehicles Braking

    OpenAIRE

    Minh Vu Trieu; Oamen Godwin; Vassiljeva Kristina; Teder Leo

    2016-01-01

    This paper develops a real laboratory of anti-lock braking system (ABS) for vehicle and conducts real experiments to verify the ability of this ABS to prevent the vehicle wheel from being locked while braking. Two controllers of PID and fuzzy logic are tested for analysis and comparison. This ABS laboratory is designed for bachelor and master students to simulate and analyze performances of ABS with different control techniques on various roads and load conditions. Thi...

  7. Augmented wave ab initio EFG calculations: some methodological warnings

    International Nuclear Information System (INIS)

    Errico, Leonardo A.; Renteria, Mario; Petrilli, Helena M.

    2007-01-01

    We discuss some accuracy aspects inherent to ab initio electronic structure calculations in the understanding of nuclear quadrupole interactions. We use the projector augmented wave method to study the electric-field gradient (EFG) at both Sn and O sites in the prototype cases SnO and SnO 2 . The term ab initio is used in the standard context of the also called first principles methods in the framework of the Density Functional Theory. As the main contributions of EFG calculations to problems in condensed matter physics are related to structural characterizations on the atomic scale, we discuss the 'state of the art' on theoretical EFG calculations and make a brief critical review on the subject, calling attention to some fundamental theoretical aspects

  8. Augmented wave ab initio EFG calculations: some methodological warnings

    Energy Technology Data Exchange (ETDEWEB)

    Errico, Leonardo A. [Departamento de Fisica-IFLP (CONICET), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC67 (1900) La Plata (Argentina); Renteria, Mario [Departamento de Fisica-IFLP (CONICET), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC67 (1900) La Plata (Argentina); Petrilli, Helena M. [Instituto de Fisica-DFMT, Universidade de Sao Paulo, C.P. 66318, 05315-970 Sao Paulo, SP (Brazil)]. E-mail: hmpetril@macbeth.if.usp.br

    2007-02-01

    We discuss some accuracy aspects inherent to ab initio electronic structure calculations in the understanding of nuclear quadrupole interactions. We use the projector augmented wave method to study the electric-field gradient (EFG) at both Sn and O sites in the prototype cases SnO and SnO{sub 2}. The term ab initio is used in the standard context of the also called first principles methods in the framework of the Density Functional Theory. As the main contributions of EFG calculations to problems in condensed matter physics are related to structural characterizations on the atomic scale, we discuss the 'state of the art' on theoretical EFG calculations and make a brief critical review on the subject, calling attention to some fundamental theoretical aspects.

  9. Soliton solutions for ABS lattice equations: I. Cauchy matrix approach

    Science.gov (United States)

    Nijhoff, Frank; Atkinson, James; Hietarinta, Jarmo

    2009-10-01

    In recent years there have been new insights into the integrability of quadrilateral lattice equations, i.e. partial difference equations which are the natural discrete analogues of integrable partial differential equations in 1+1 dimensions. In the scalar (i.e. single-field) case, there now exist classification results by Adler, Bobenko and Suris (ABS) leading to some new examples in addition to the lattice equations 'of KdV type' that were known since the late 1970s and early 1980s. In this paper, we review the construction of soliton solutions for the KdV-type lattice equations and use those results to construct N-soliton solutions for all lattice equations in the ABS list except for the elliptic case of Q4, which is left to a separate treatment.

  10. Chemical and Electrochemical Metallic Covering of ABS polymers

    Directory of Open Access Journals (Sweden)

    Florentina Cziple

    2009-10-01

    Full Text Available The aim of this paper is the deposition of metallic layers on the surface of ABS plastic material, by means of two consecutive procedures, namely: the first is represented by the conductibility through chemical or electro-chemical metallic covering of the polymeric support and the second procedure is the electrodeposition of the metal through galvanization. The chemical mehtod consists in the submission of ABS polymers to some conductibility operations of the plastic material surface through chemical copper plating (chemical roughing, degreasing with ultra-sounds, chemical sensitivation, activation and proper conductibility of the material surface. The electrochemical deposition of nickel was made on the plastic material activated in the mixture solution of graphite with potassium carbonate.

  11. Polariton Bose condensate in an open system: Ab initio approach

    Science.gov (United States)

    Elistratov, A. A.; Lozovik, Yu. E.

    2018-01-01

    In the framework of path-integral formalism and Keldysh technique for a nonequilibrium system we explore the kinetics of the polariton condensate in a quantum well embedded in an optical microcavity. We take into account pumping and leakage of excitons and photons. We make an ab initio derivation of the equations governing the dynamics of the condensates and reservoirs and show that the real open polariton system has a non-Markovian character at times comparable to the Rabi oscillation period.

  12. Report on the Personnel Dosimetry at AB Atomenergi during 1967

    International Nuclear Information System (INIS)

    Carlsson, J.; Wahlberg, T.

    1968-12-01

    This report presents the results of personnel dosimetry at AB Atomenergi during 1967. The external total body gamma dose for all employees (quarterly doses ≤ 100 mrem are not reported) corresponds to 140 manrem. The highest external total body gamma dose during 1967 to one person was 5700 mrem. 24700 gamma films and 3900 neutron films were evaluated. 1988 urine analyses and 989 measurements of body activity were made

  13. Personality at Work: A Study of Type A-B

    Directory of Open Access Journals (Sweden)

    Amber Raza

    2007-10-01

    Full Text Available The objective of this study was to measure the impact of stressors on personality types in Call Centers. Based on literature survey five potential workplace stressors were identified, namely (1 Task Demands, (2 Role Demands, (3 Interpersonal Demands, (4 Organizational Structure and (5 Organizational Leadership. Based on the literature survey, a relationship model was developed that was inclusive of the above stressors, and three personality types, which were Type A, Type AB and Type B.The sample size for the study was 100. The subjects were supervisors and agents drawn non-randomly from various Call Centers of Karachi. All the subjects completed a questionnaire comprised of 27 questions based on occupational stress index (Srivasta and Singh 1981 and AB Personality Continuum (National Institute of Safety and Health 1975. The three personality types A, B & AB all go through stress, however it is the Type A, which thrives on stress. The sources of stress measured in the study were Task Demand, Role Demand, Interpersonal Demands, Organizational Structure and Organizational Leadership.The stressor that most contributed to the Personality type A’s stress in the study was Interpersonal Demand (0.38, which is justified by the literature review as Personality type A are not team players and prefer to work alone.Whereas Personality type B was stressed because of Role Demand (0.38 which is also proved by the literature review as personality type B are laid back and do not take there roles seriously. Hence it can be concluded that it type A tends to cope well with stress as compared to type AB and type B. The performance of the respondents can be made better if the supervisors are aware of the personality types and thereby motivate them according.

  14. Probing the A-B interface of superfluid helium-3

    Science.gov (United States)

    Haley, Richard

    2015-03-01

    At temperatures around 1 mK helium-3 forms a BCS spin triplet condensate. The order parameter is sufficiently complex that more than one superfluid phase exists, each exhibiting a different broken symmetry, and there is a model first order transition between the two most stable phases, labeled A and B. The Lancaster Ultra-Low Temperature Group has developed techniques to probe the properties of the A-B interface in the deep sub-mK regime where the superfluid is in the pure condensate limit. Shaped and controllable magnetic fields are used to induce the transition, and to stabilize and move the A-B phase boundary inside the experimental volume. The latent heat of the transition has been measured, and the nucleation behavior shown to be incompatible with conventional thermodynamic models. Since superfluid helium-3 is inherently pure, and the order parameter transforms continuously across the A-B interface, it is the most coherent two-dimensional structure to which we have experimental access. It has been proposed that this 2D surface in the surrounding 3D bulk volume is a good analog of a cosmological brane separating two distinct quantum vacuum states; experiments that simulate brane annihilation and the creation of topological defects have been carried out at Lancaster. Other investigations have included measurements of the surface tension and wetting behavior of the interface. During these studies it was discovered that a large, unpredicted frictional force was acting on the interface even though it is moving through a pure superfluid. Recent breakthrough work on the dynamics of the A-B interface has finally solved this puzzle. Current experiments include a setup where the interface region is probed directly using quartz tuning fork resonators that couple to the local density of broken Cooper pair quasiparticle excitations and thus give insight into the order parameter energy gap structure as A transforms to B.

  15. Ab initio nuclear structure - the large sparse matrix eigenvalue problem

    International Nuclear Information System (INIS)

    Vary, James P; Maris, Pieter; Ng, Esmond; Yang, Chao; Sosonkina, Masha

    2009-01-01

    The structure and reactions of light nuclei represent fundamental and formidable challenges for microscopic theory based on realistic strong interaction potentials. Several ab initio methods have now emerged that provide nearly exact solutions for some nuclear properties. The ab initio no core shell model (NCSM) and the no core full configuration (NCFC) method, frame this quantum many-particle problem as a large sparse matrix eigenvalue problem where one evaluates the Hamiltonian matrix in a basis space consisting of many-fermion Slater determinants and then solves for a set of the lowest eigenvalues and their associated eigenvectors. The resulting eigenvectors are employed to evaluate a set of experimental quantities to test the underlying potential. For fundamental problems of interest, the matrix dimension often exceeds 10 10 and the number of nonzero matrix elements may saturate available storage on present-day leadership class facilities. We survey recent results and advances in solving this large sparse matrix eigenvalue problem. We also outline the challenges that lie ahead for achieving further breakthroughs in fundamental nuclear theory using these ab initio approaches.

  16. Ab Initio Nuclear Structure and Reaction Calculations for Rare Isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Draayer, Jerry P. [Louisiana State Univ., Baton Rouge, LA (United States)

    2014-09-28

    We have developed a novel ab initio symmetry-adapted no-core shell model (SA-NCSM), which has opened the intermediate-mass region for ab initio investigations, thereby providing an opportunity for first-principle symmetry-guided applications to nuclear structure and reactions for nuclear isotopes from the lightest p-shell systems to intermediate-mass nuclei. This includes short-lived proton-rich nuclei on the path of X-ray burst nucleosynthesis and rare neutron-rich isotopes to be produced by the Facility for Rare Isotope Beams (FRIB). We have provided ab initio descriptions of high accuracy for low-lying (including collectivity-driven) states of isotopes of Li, He, Be, C, O, Ne, Mg, Al, and Si, and studied related strong- and weak-interaction driven reactions that are important, in astrophysics, for further understanding stellar evolution, X-ray bursts and triggering of s, p, and rp processes, and in applied physics, for electron and neutrino-nucleus scattering experiments as well as for fusion ignition at the National Ignition Facility (NIF).

  17. Monte Carlo simulation of AB-copolymers with saturating bonds

    CERN Document Server

    Chertovich, A V; Khokhlov, A R; Bohr, J

    2003-01-01

    Structural transitions in a single AB-copolymer chain where saturating bonds can be formed between A-and B-units are studied by means of Monte Carlo computer simulations using the bond fluctuation model. Three transitions are found, coil-globule, coil-hairpin and globule-hairpin, depending on the nature of a particular AB-sequence: statistical random sequence, diblock sequence and 'random-complementary' sequence (one-half of such an AB-sequence is random with Bernoulli statistics while the other half is complementary to the first one). The properties of random-complementary sequences are closer to those of diblock sequences than to the properties of random sequences. The model (although quite rough) is expected to represent some basic features of real RNA molecules, i.e. the formation of secondary structure of RNA due to hydrogen bonding of corresponding bases and stacking interactions of the base pairs in helixes. We introduce the notation of RNA-like copolymers and discuss in what sense the sequences studie...

  18. Pressure tracking control of vehicle ABS using piezo valve modulator

    Science.gov (United States)

    Jeon, Juncheol; Choi, Seung-Bok

    2011-03-01

    This paper presents a wheel slip control for the ABS(anti-lock brake system) of a passenger vehicle using a controllable piezo valve modulator. The ABS is designed to optimize for braking effectiveness and good steerability. As a first step, the principal design parameters of the piezo valve and pressure modulator are appropriately determined by considering the braking pressure variation during the ABS operation. The proposed piezo valve consists of a flapper, pneumatic circuit and a piezostack actuator. In order to get wide control range of the pressure, the pressure modulator is desired. The modulator consists of a dual-type cylinder filled with different substances (fluid and gas) and a piston rod moving vertical axis to transmit the force. Subsequently, a quarter car wheel slip model is formulated and integrated with the governing equation of the piezo valve modulator. A sliding mode controller to achieve the desired slip rate is then designed and implemented. Braking control performances such as brake pressure and slip rate are evaluated via computer simulations.

  19. Towards hydrogen metallization: an Ab initio approach; Vers la metallisation de l`hydrogene: approche AB initio

    Energy Technology Data Exchange (ETDEWEB)

    Bernard, St

    1998-12-31

    The quest for metallic hydrogen is a major goal for both theoretical and experimental condensed matter physics. Hydrogen and deuterium have been compressed up to 200 GPa in diamond anvil cells, without any clear evidence for a metallic behaviour. Loubeyere has recently suggested that hydrogen could metallize, at pressures within experimental range, in a new Van der Waals compound: Ar(H{sub 2}){sub 2} which is characterized at ambient pressure by an open and anisotropic sublattice of hydrogen molecules, stabilized by an argon skeleton. This thesis deals with a detailed ab initio investigation, by Car-Parrinello molecular dynamics methods, of the evolution under pressure of this compound. In a last chapter, we go to much higher pressures and temperatures, in order to compare orbital and orbital free ab initio methods for the dense hydrogen plasma. (author) 109 refs.

  20. Hospital antibiotic management in Poland--results of the ABS maturity survey of the ABS International group.

    Science.gov (United States)

    Olczak-Pienkowska, Anna; Mazinska, Beata; Ozorowski, Tomasz; Hryniewicz, Waleria

    2008-01-01

    The increasing incidence of antibiotic resistance is a serious worldwide problem, as underlined by European Union documents. The project ABS International has been appointed to identify strengths and weaknesses of hospitals with regard to issues related to antibiotic policy. The questionnaire "ABS hospital mature" was developed within the study to analyze the ABS-related maturities in nine member states of the EU. Several fields of antibiotic strategy in hospitals were explored. In Poland the questionnaire was sent to over 100 hospitals and the responses were delivered to the National Medicines Institute (the project representative in Poland) via the internet. The hospitals involved represented three referral levels according to services provided. Within the hospital, the questionnaire was filled out by a microbiologist or an infectious disease specialist. Within the examined fields there were no serious differences between the referral levels. Microbial diagnostics obtained the highest score, whereas "antibiotic-related relationships" and "antibiotic-related personnel development" ranked lowest. Maturity in the field of the antibiotic strategy differs among Polish hospitals. The highest score in the general assessment was assigned to hospitals at secondary referral level. Knowledge on issues of antibiotic resistance and microbiological services and procedures obtained the highest score but its implementation was not sufficient. Results suggest a need to increase the number of specialists in antibiotic usage and policy, and to improve collaboration within and between hospitals.

  1. RPL18aB helps maintain suspensor identity during early embryogenesis.

    Science.gov (United States)

    Xie, Fei; Yan, Hailong; Sun, Yang; Wang, Yameng; Chen, Hong; Mao, Wanying; Zhang, Liyao; Sun, Mengxiang; Peng, Xiongbo

    2018-04-01

    During embryogenesis, plants are thought to use a mechanism that allows the suspensor to maintain its identity. Here, we reported that RPL18aB is involved in this mechanism in Arabidopsis thaliana. The suspensor cells proliferated in rpl18aB and formed a multicellular structure rather than undergo programmed cell death, as in wild type. Suspensors of rpl18aB expressed the embryo proper marker, DRN::GFP, but not the suspensor marker, WOX8::GFP. In addition, auxin accumulated throughout the suspensors of rpl18aB proembryos. Suspensor-specific expression of RPL18aB could rescue the cell proliferation defects in rpl18aB suspensors. These findings supported a role for RPL18aB in maintaining suspensor identity. © 2017 Institute of Botany, Chinese Academy of Sciences.

  2. Acute and residual effects in adolescent rats resulting from exposure to the novel synthetic cannabinoids AB-PINACA and AB-FUBINACA.

    Science.gov (United States)

    Kevin, Richard C; Wood, Katie E; Stuart, Jordyn; Mitchell, Andrew J; Moir, Michael; Banister, Samuel D; Kassiou, Michael; McGregor, Iain S

    2017-06-01

    Synthetic cannabinoids (SCs) have rapidly proliferated as recreational drugs, and may present a substantial health risk to vulnerable populations. However, information on possible effects of long-term use is sparse. This study compared acute and residual effects of the popular indazole carboxamide SC compounds AB-PINACA and AB-FUBINACA in adolescent rats with ∆ 9 -tetrahydrocannabinol (THC) and control treatments. Albino Wistar rats were injected (i.p.) with AB-PINACA or AB-FUBINACA every second day (beginning post-natal day (PND) 31), first at a low dose (0.2 mg/kg on 6 days) followed by a higher dose (1 mg/kg on a further 6 days). THC-treated rats received equivalent doses of 6 × 1 mg/kg and 6 × 5 mg/kg. During drug treatment, THC, AB-PINACA, and AB-FUBINACA decreased locomotor activity at high and low doses, increased anxiety-like behaviours and audible vocalisations, and reduced weight gain. Two weeks after dosing was completed, all cannabinoid pre-treated rats exhibited object recognition memory deficits. These were notably more severe in rats pre-treated with AB-FUBINACA. However, social interaction was reduced in the THC pre-treated group only. Six weeks post-dosing, plasma levels of cytokines interleukin (IL)-1α and IL-12 were reduced by AB-FUBINACA pre-treatment, while cerebellar endocannabinoids were reduced by THC and AB-PINACA pre-treatment. The acute effects of AB-PINACA and AB-FUBINACA were broadly similar to those of THC, suggesting that acute SC toxicity in humans may be modulated by dose factors, including inadvertent overdose and product contamination. However, some lasting residual effects of these different cannabinoid receptor agonists were subtly different, hinting at recruitment of different mechanisms of neuroadaptation.

  3. Influence of HBcAb positivity in the organ donor in heart transplantation.

    Science.gov (United States)

    Chamorro, C; Aparicio, M

    2012-11-01

    There is a significant risk of hepatitis B transmission from HBsAg (-), HBcAb (+) donors in liver transplantation, but there is little information about hepatitis B transmission from HBcAb heart donors. The present study examines the influence of HBcAb presence in relation to heart donor acceptance and offers an update of the published studies. Survey and medical database update from 1994 to October 2011. Spanish heart transplantation teams. Not applicable. Acceptance of heart transplant from an HBcAb (+) organ donor. Twelve out of 15 surveyed teams were seen to vaccinate against HBV, and two quantify HBsAb titers. Seven teams specifically request donor HBcAb status. If the latter proves positive, two do not accept transplantation, two accept if the donor is also HBsAb (+), one selects the receptor under emergency conditions, and three use drug prophylaxis isolatedly or complementary to the above. Only one case of hepatitis B has been reported in a HBcAb (-) and HBsAb (-) receptor that did not receive prophylactic measures. There have been reports of seroconversion of the HBcAb and HBsAb markers, though with an uncertain etiology. HBcAb seropositivity influences acceptance of a heart donor, but agreement is lacking. There is limited information on receptor evolution. To date there has been one reported case of hepatitis B after heart transplant. Although rare, an HBcAb (+) donor can harbor occult HBV infection. The risk of infection can be prevented with appropriate HBsAb titers following vaccination or by pharmacological measures. Copyright © 2011 Elsevier España, S.L. and SEMICYUC. All rights reserved.

  4. HHV-6A/B Integration and the Pathogenesis Associated with the Reactivation of Chromosomally Integrated HHV-6A/B.

    Science.gov (United States)

    Collin, Vanessa; Flamand, Louis

    2017-06-26

    Unlike other human herpesviruses, human herpesvirus 6A and 6B (HHV-6A/B) infection can lead to integration of the viral genome in human chromosomes. When integration occurs in germinal cells, the integrated HHV-6A/B genome can be transmitted to 50% of descendants. Such individuals, carrying one copy of the HHV-6A/B genome in every cell, are referred to as having inherited chromosomally-integrated HHV-6A/B (iciHHV-6) and represent approximately 1% of the world's population. Interestingly, HHV-6A/B integrate their genomes in a specific region of the chromosomes known as telomeres. Telomeres are located at chromosomes' ends and play essential roles in chromosomal stability and the long-term proliferative potential of cells. Considering that the integrated HHV-6A/B genome is mostly intact without any gross rearrangements or deletions, integration is likely used for viral maintenance into host cells. Knowing the roles played by telomeres in cellular homeostasis, viral integration in such structure is not likely to be without consequences. At present, the mechanisms and factors involved in HHV-6A/B integration remain poorly defined. In this review, we detail the potential biological and medical impacts of HHV-6A/B integration as well as the possible chromosomal integration and viral excision processes.

  5. Ab initio simulations for material properties inside Jupiter

    Science.gov (United States)

    French, Martin; Becker, Andreas; Lorenzen, Winfried; Nettelmann, Nadine; Bethkenhagen, Mandy; Wicht, Johannes; Redmer, Ronald

    2013-07-01

    The behavior of warm dense matter is of paramount importance for interior and dynamo models for solar and extrasolar giant planets. For instance, nonmetal-to-metal transitions (e.g. metallization in hydrogen), demixing phenomena (in H-He or C-N-O-H mixtures), and new exotic phases (e.g. with proton conduction in water and ammonia) may occur at high pressures and elevated temperatures. These effects have to be taken into account consistently in corresponding planetary models. Therefore, we apply ab initio molecular dynamics simulations based on finite-temperature density functional theory to calculate thermophysical properties of warm dense matter. In particular we determine the equation of state (thermal and caloric), material (sound velocity, specific heat) and transport properties (electrical and thermal conductivity, viscosity, diffusion coefficient) along the adiabat of Jupiter, i.e. from ambient conditions up to the multi-megabar range [1,2]. This ab initio data set can be used as input in future interior (structure) and dynamo models (magnetic fields, flow dynamics) for this planet. Similar data sets can also be compiled for interior conditions of other solar giant planets so that important problems such as the size of planetary cores necessary for the accretion of gaseous (H/He) or icy (C-N-O hydrides) envelopes, the origin, location and stability of layer boundaries, or the source of an excess (e.g. Saturn) or deficit luminosity (e.g. Uranus) can be studied. The increasing sample of extrasolar planets poses new questions that can be addressed based on such ab initio data sets, e.g. to explain the wide range of radii for planets with similar mass. [1] N. Nettelmann, A. Becker, B. Holst, R. Redmer, Astrophys. J. 750, 52 (2012). [2] M. French, A. Becker, W. Lorenzen, N. Nettelmann, M. Bethkenhagen, J. Wicht, R. Redmer, Astrophys. J. Suppl. Ser. 202, 5 (2012).

  6. Ab-initio theory of scanning tunneling microscopy

    Science.gov (United States)

    di Ventra, M.; Pantelides, S. T.

    1998-03-01

    An ab-initio theory of the Scanning Tunneling Microscope (STM) has been developed by treating the sample and the tip as a single system. The theory combines density functional theory with the Kubo-Greenwood linear-response formalism for the conductivity( See, e.g., N.F. Mott in Conduction in Non-Crystalline Materials), (Oxford University Press, Oxford, 1987).. The current is computed by taking into account the atomic relaxations that occur on both the surface and the tip due to their mutal interactions. Illustrative examples will be presented for the case of a clean Al(110) surface and the same surface with a vacancy.

  7. Pseudopotential for ab initio calculations of uranium compounds

    Science.gov (United States)

    Smirnov, G. S.; Pisarev, V. V.; Stegailov, V. V.

    2018-01-01

    The density functional theory (DFT) is a research tool of the highest importance for electronic structure calculations. It is often the only affordable method for ab initio calculations of complex materials. The pseudopotential approach allows reducing the total number of electrons in the model that speeds up calculations. However, there is a lack of pseudopotentials for heavy elements suitable for condensed matter DFT models. In this work, we present a pseudopotential for uranium developed in the Goedecker–Teter–Hutter form. Its accuracy is illustrated using several molecular and solid-state calculations.

  8. Ab initio calculation of tensile strength in iron

    Czech Academy of Sciences Publication Activity Database

    Friák, Martin; Šob, Mojmír; Vitek, V.

    2003-01-01

    Roč. 83, 31-34 (2003), s. 3529-3537 ISSN 1478-6435. [Multiscale Materials Modelling: Working Theory for Industry /1./. London, 17.06.2002-20.06.2002] R&D Projects: GA AV ČR IAA1041302; GA ČR GA202/03/1351; GA MŠk OC 523.90 Institutional research plan: CEZ:AV0Z2041904 Keywords : ab initio calculations * electronic structure * theoretical tensile strength Subject RIV: BM - Solid Matter Physics ; Magnetism

  9. Iterative projection algorithms for ab initio phasing in virus crystallography.

    Science.gov (United States)

    Lo, Victor L; Kingston, Richard L; Millane, Rick P

    2016-12-01

    Iterative projection algorithms are proposed as a tool for ab initio phasing in virus crystallography. The good global convergence properties of these algorithms, coupled with the spherical shape and high structural redundancy of icosahedral viruses, allows high resolution phases to be determined with no initial phase information. This approach is demonstrated by determining the electron density of a virus crystal with 5-fold non-crystallographic symmetry, starting with only a spherical shell envelope. The electron density obtained is sufficiently accurate for model building. The results indicate that iterative projection algorithms should be routinely applicable in virus crystallography, without the need for ancillary phase information. Copyright © 2016 Elsevier Inc. All rights reserved.

  10. Stretching siloxanes: An ab initio molecular dynamics study

    Science.gov (United States)

    Lupton, E. M.; Nonnenberg, C.; Frank, I.; Achenbach, F.; Weis, J.; Bräuchle, C.

    2005-10-01

    We present an ab initio molecular dynamics study of siloxane elastomers placed under tensile stress for comparison with single molecule AFM experiments. Of particular interest is stress-induced chemical bond breaking in the high force regime, where a description of the molecular electronic structure is essential to determine the rupture mechanism. We predict an ionic mechanism for the bond breaking process with a rupture force of 4.4 nN for an isolated siloxane decamer pulled at a rate of 27.3 m/s and indicate lower values at experimental polymer lengths and pulling rates.

  11. Ab initio modeling of small proteins by iterative TASSER simulations

    Directory of Open Access Journals (Sweden)

    Zhang Yang

    2007-05-01

    Full Text Available Abstract Background Predicting 3-dimensional protein structures from amino-acid sequences is an important unsolved problem in computational structural biology. The problem becomes relatively easier if close homologous proteins have been solved, as high-resolution models can be built by aligning target sequences to the solved homologous structures. However, for sequences without similar folds in the Protein Data Bank (PDB library, the models have to be predicted from scratch. Progress in the ab initio structure modeling is slow. The aim of this study was to extend the TASSER (threading/assembly/refinement method for the ab initio modeling and examine systemically its ability to fold small single-domain proteins. Results We developed I-TASSER by iteratively implementing the TASSER method, which is used in the folding test of three benchmarks of small proteins. First, data on 16 small proteins (α-root mean square deviation (RMSD of 3.8Å, with 6 of them having a Cα-RMSD α-RMSD α-RMSD of the I-TASSER models was 3.9Å, whereas it was 5.9Å using TOUCHSTONE-II software. Finally, 20 non-homologous small proteins (α-RMSD of 3.9Å was obtained for the third benchmark, with seven cases having a Cα-RMSD Conclusion Our simulation results show that I-TASSER can consistently predict the correct folds and sometimes high-resolution models for small single-domain proteins. Compared with other ab initio modeling methods such as ROSETTA and TOUCHSTONE II, the average performance of I-TASSER is either much better or is similar within a lower computational time. These data, together with the significant performance of automated I-TASSER server (the Zhang-Server in the 'free modeling' section of the recent Critical Assessment of Structure Prediction (CASP7 experiment, demonstrate new progresses in automated ab initio model generation. The I-TASSER server is freely available for academic users http://zhang.bioinformatics.ku.edu/I-TASSER.

  12. Hydrogen diffusion in liquid aluminum from ab initio molecular dynamics

    Science.gov (United States)

    Jakse, N.; Pasturel, A.

    2014-05-01

    Ab initio molecular dynamics simulations are used to describe the diffusion of hydrogen in liquid aluminum at different temperatures. Quasi-instantaneous jumps separating periods of localized vibrations around a mean position are found to characterize the hydrogen motion at the microscopic scale. The hydrogen motion is furthermore analyzed using the van Hove function. We highlight a non-Fickian behavior for the hydrogen diffusion due to a large spatial distribution of hydrogen jumps. We show that a generalized continuous time random walk (CTRW) model describes the experimental diffusion coefficients in a satisfactory manner. Finally, the impact of impurities and alloying elements on hydrogen diffusion in aluminum is discussed.

  13. Tailoring magnetoresistance at the atomic level: An ab initio study

    KAUST Repository

    Tao, Kun

    2012-01-05

    The possibility of manipulating the tunneling magnetoresistance (TMR) of antiferromagnetic nanostructures is predicted in the framework of ab initio calculations. By the example of a junction composed of an antiferromagnetic dimer and a spin-polarized scanning tunneling microscopy tip we show that the TMR can be tuned and even reversed in sign by lateral and vertical movements of the tip. Moreover, our finite-bias calculations demonstrate that the magnitude and the sign of the TMR can also be tuned by an external voltage. © 2012 American Physical Society.

  14. Verest saab vein : [luuletused] / Mare Osi

    Index Scriptorium Estoniae

    Osi, Mare

    2003-01-01

    Sisu: "Must üü nigu kaaren ..." ; Metamorfoos ; Pettumus ; Skeptiline ; Talisman ; Unetet latsepõli ; Meie kaits ; Sannaõhtu ; "Külmä süä lüüdi lõhki ..." ; "Egäl kevädil ...". Eluloolisi andmeid autori kohta lk. 193

  15. Kortermajast saab kena kodu / Mirja Adler

    Index Scriptorium Estoniae

    Adler, Mirja

    2005-01-01

    KredExi eluasemevaldkonna juht soovitab kortermaja renoveerimiseks julgelt laenu võtta, kuna see on ehitushindade pideva tõusu tõttu laenuvõtjale lõppkokkuvõttes odavam kui iseseisvalt remondiraha koguda. Tabelid: Kogumise ja laenu hinnatõusu võrdlus; KredExi käenduse maksumus

  16. USA Kongress saab karmimad eetikanormid / Neeme Raud

    Index Scriptorium Estoniae

    Raud, Neeme, 1969-

    2006-01-01

    Ilmunud ka: Postimees : na russkom jazõke 11. jaan. lk. 8. Jack Abramoffi mahhinatsioonide üle käiva juurdluse valguses korraldas Ameerika televõrk ABC äsja küsitluse, millest selgub, et üheksa ameeriklast kümnest usub, et USA Kongressis valitseb ulatuslik korruptsioon. Lisa: Tundmatu termin "ausus"

  17. Võimatu saab võimalikuks / Priit Ennet

    Index Scriptorium Estoniae

    Ennet, Priit

    2008-01-01

    Hetkeline ümberpaiknemine ja nähtamatus võivad tõeks saada juba lähematel aastakümnetel, kaugemas tulevikus realiseerub ka ajaränd. Need on vaid mõned paljudest ennustustest, mille USA füüsikateoreetik Michio Kaku käib välja oma värskes raamatus "Võimatuse füüsika"

  18. Noore teadlase preemia saab Jaan Raik

    Index Scriptorium Estoniae

    2004-01-01

    Vabariigi presidendi kultuurirahastu nõukogu otsustas tänavuse noore teadlase preemia anda Tallinna Tehnikaülikooli vanemteadurile, tehnikateaduste doktor Jaan Raik'ile. Ilmunud ka Pärnu Postimees, 2004/Dec/1, lk. 6 ; Mente et Manu, 2004/Dec/15, lk. 1

  19. Tutanhamon saab uue viimse puhkepaiga / Allan Espenberg

    Index Scriptorium Estoniae

    Espenberg, Allan

    2005-01-01

    Egiptuses hakatakse ehitama hiigelsuurt muuseumi, mis eksponaatide kõrval mahutaks ka kunstiteoste restaureerimise töökodasid ja Ramses II 12 m kõrguse kuju. Muuseum tuleks Giza püramiididest põhja poole. Projekti autor Iirimaa arhitektuuribüroo Heneghan Peng Architects

  20. Leida Rammost saab miss Marple / Verni Leivak

    Index Scriptorium Estoniae

    Leivak, Verni, 1966-

    2009-01-01

    Teatrite See ja Randlane ühistööna jõuab lavale Agatha Christie kriminaaldraama "Kutse mõrvale", milles meisterdetektiiv miss Marple'it kehastab Leida Rammo. Tüki lavastab Allan Kress ja seda hakatakse mängima Läänemaal Uuemõisa mõisas

  1. Kõrgkoolidesse saab astuda Internetis / Liivia Mahlapuu

    Index Scriptorium Estoniae

    Mahlapuu, Liivia

    2006-01-01

    Käesoleval aastal kasutavad veebipõhist infosüsteemi SAIS tudengite vastuvõtmisel Audentese Ülikool, EBS, Kaitseväe Ühendatud Õppeasutused, TLÜ, Eesti Infotehnoloogia Kolledž, TTÜ, EKA, Tartu Tervishoiu Kõrgkool, TÜ, EMÜ, Tallinna Tervishoiu Kõrgkool ja Eesti-Ameerika Äriakadeemia

  2. Kõrgkoolidesse saab astuda internetis / Tarmu Kurm

    Index Scriptorium Estoniae

    Kurm, Tarmu

    2006-01-01

    Sel aastal kasutavad ühist sisseastumise infosüsteemi SAIS Audentese Ülikool, EBS, Kaitseväe Ühendatud Õppeasutused, TLÜ, Eesti Infotehnoloogia Kolledž, TTÜ, EKA, Tartu Tervishoiu Kõrgkool, TÜ, EMÜ, Tallinna Tervishoiu Kõrgkool ja Eesti-Ameerika Äriakadeemia

  3. Mis saab raamatupoest edasi? / Silvia Viidik

    Index Scriptorium Estoniae

    Viidik, Silvia, 1972-

    2010-01-01

    USA suurim raamatupoeketi Barnes & Noble majandustulemused näitavad, et e-raamatute ja e-lugejate müügi kasv on mõjutanud ka ettevõtte edukust, sundides raamatupoeketti oma strateegilisi valikuid ümber hindama

  4. Meningokoki vastu saab end vaktsineerida / Ada Maltseva

    Index Scriptorium Estoniae

    Maltseva, Ada, 1970-

    2008-01-01

    Vt. ka Linnaleht : Tallinn : na russkom jazõke, Linnaleht : Tartu 16. jaan., lk. 7. Tervisekaitseinspektsiooni avalike suhete juht Iiris Saluri räägib meningokokknakkusest ning selle vastu vaktsineerimisest

  5. Jõulukuusest saab Stroomi rannas skulptuur / Malle Pajula

    Index Scriptorium Estoniae

    Pajula, Malle, 1971-

    2002-01-01

    Tuleskulptuuri seavad kokku rootsi kunstnikud Gunnar Carl Nilsson ja Ola Öhlin, kes Rootsis asutasid tuleskulptorite seltsi. Tuleskulptuure teevad ka eesti kunstnikud ja üliõpilased. Süüdatakse 14. jaanuaril

  6. Kas Eesti saab 2007. a. euro?

    Index Scriptorium Estoniae

    2005-01-01

    Sisaldab artikleid: Maris Lauri. Inflatsioonikriteeriumi täitmine pea võimatu; Joaquin Almunia. Eesti vastuvõtmiseks EL oma eeskirju ei muuda; Euro kasutuselevõtu mõjud Eestile; Ruta Eier. Kokkuvõttes on tegemist ikkagi poliitilise otsusega; Euro kasutuselevõtuga kaasnevad muutused; Reitinguagentuur eeldab liitumist 2007. aastal

  7. 21. Kool saab turvakaamerad / Kristjan Jõevere

    Index Scriptorium Estoniae

    Jõevere, Kristjan

    2002-01-01

    Järgmisel aastal taasavatava Tallinna 21. Kooli hoone külge Raua tänaval pannakse remondi käigus 200 000 krooni eest turvakaameraid, idee tuli arhitektilt, kaamerad hakkavad valvama kogu kooli territooriumi, kaamerate ostmiseks on korraldatud riigihange

  8. Indiast saab maailma rahvarohkeim riik / Tõnu Prei

    Index Scriptorium Estoniae

    Prei, Tõnu, 1950-

    2005-01-01

    ÜRO rahvastikuraporti andmeil on maakera elanike arv 2050. a. 9,1 miljardit, kusjuures poole 2,6-miljardilisest juurdekasvust annavad vaid 9 riiki - India, Pakistan, Nigeeria, Kongo, Bangladesh, Uganda, USA, Etioopia ja Hiina

  9. Tantsud Tartus - vaatajast saab looja / Andres Keil

    Index Scriptorium Estoniae

    Keil, Andres, 1974-

    2007-01-01

    Festivalide Draama ja Eclectica tantsulavastustest : Krõõt Juuraku "Once Upon", Kaja Kannu, Martins Eiche ja Aigars Aipinsi "Vabadus/Briviba" ja Mairika Plakso ja Margus Toomla "The story of M & M Part II"

  10. Taimne linn - fantaasia saab tegelikkuseks / Kadri Kalle

    Index Scriptorium Estoniae

    Kalle, Kadri, 1984-

    2009-01-01

    Belgia arhitektist Luc Schuitenist ja tema töödest Brüsselis 2009. a. suvel eksponeeritud näitusel "Vegetal City". Arhitekt pakub loovaid lähenemisi sellele, kuidas linnad võiksid rohkem sarnaneda looduslike elupaikadega. Juba 1970. aastatel ehitas ta maja, mis kasutab päikese- ja tuuleenergiat, tema ideekavandite hulka kuuluvad ka üllatava disainiga keskkonnasõbralikud sõidukid

  11. Kõlakojas saab kuulata suvemuusikat / Eevi Laanemaa

    Index Scriptorium Estoniae

    Laanemaa, Eevi, 1962-

    2009-01-01

    13. hooaega alustavast kontserdisarjast "Kuressaare "Suvemuusika"" (projektijuht Katre Roolaht, kunstiline juht dirigent Matis Männa): Kuressaare Muusikakooli brassansambli ja Nõmme Muusikakooli brassansambli kontsert 7. juunil, Kuressaare Linnaorkester koos koos Maria Väliga 20. juunil, Big Band Tartu koos laulusolist Kreet Stubenderiga 27. juunil, tšellokvartett C-Jam 12. juulil ja Talsi Brassband Lätist 17. juulil

  12. Helsingi saab eestlaste disainitud pingid / Raivo Murde

    Index Scriptorium Estoniae

    Murde, Raivo

    2010-01-01

    Eesti ettevõtte Frog Industrial Designi kaubamärgi Extery pingid "Klaar" võitsid Helsingi avaliku ruumi mööblikonkursi. Tooteseeria autoriteks on Martin Pärn, Edina Dufala-Pärn, Sven Sõrmus ja Pent Talvet disainibüroost Iseasi. Žürii valis Exteri toodangust välja ka teisi linnaruumis kasutatavaid elemente. Eestlaste disainitud linnamööbel on eksponeeritud Helsingi sisustusmessil Habitare

  13. Ekspressi tellija saab rikkaliku kogumiku Eesti muusikat

    Index Scriptorium Estoniae

    2008-01-01

    Viimasel kaheksal nädalal on ajalehemüügikohtades Eesti Ekspressi vahel olnud Eesti artistide singelplaadid: Tõnis Mägi ja Noorkuu, Jana Kask, Metsatöll, HU?, Ithaka-Maria, Rainer Jancise muusika filmist "Mina olin siin", Toe Tag, Birgit Õigemeel. Selgunud on Eesti Ekspressi tellijatele jaanuari alguses saadetava singlikogumiku lisaartistid: Vaiko Eplik, Pedigree, Traffic, Slide-Fifty ja Lenna Kuurmaa, Smilers, Leslie Da Bass ja Singer-Vinger

  14. Salaselts saab presidendi koha / koost. Virgo Kruve

    Index Scriptorium Estoniae

    2004-01-01

    Yale'i ülikooli salaseltsi "Skull and Bones" mõjust Ameerika poliitikale, presidentide George Bush seeniori ja George W. Bushi kuulumisest mainitud ühingusse. Telesaate "60 minutit" materjalide põhjal

  15. Ostke lehti, kuni osta saab / Madli Zobel

    Index Scriptorium Estoniae

    Zobel, Madli, 1976-

    1999-01-01

    Eesti päevalehed on pärast skandinaavlaste omandusse minekut tootnud kahjumit. Diagrammid: Ekspress Grupi ja AS Eesti Meedia omanikud ning osalus Eesti trükimeedias, ajalehtede tiraazhid ja majandustulemuste prognoos

  16. Kultuuriakadeemias saab kaeda Von Krahli ime tabamist

    Index Scriptorium Estoniae

    2006-01-01

    Marianne Kõrver, Jaak Kilmi, Andres Maimik, Marko Raat, Rainer Sarnet ja Arbo Tammiksaar tegid Eduard Vilde näidendist "Tabamata ime" kuus lühimängufilmi Von Krahli teatris ettekandmiseks. 25. mail tuleb Von Krahli Teater Viljandisse ja näitab teatrifilmi Kultuuriakadeemias

  17. Ostetud saab vaid parim / Silvia Viidik

    Index Scriptorium Estoniae

    Viidik, Silvia, 1972-

    2010-01-01

    Maailma kaks suuremat kiibitootjat - Advanced Micro Devices ja Intel - alandasid oma kvartaliprognoose. Autor analüüsib, mis sellel turul toimub, ning ütleb, et enne tulemuste hooaega võiks infotehnoloogiasektorist huvitatud investor kaaluda pigem ettevõtteid, kes toodavad ka väga valivale kliendile sobivaid tooteid

  18. Tallinn saab uue linnaskulptuuri / Tarmo Michelson

    Index Scriptorium Estoniae

    Michelson, Tarmo, 1975-

    1998-01-01

    Ideekavandite võistluse võitjad: 1. preemia Angela Orgusaare skulptuur "Urban Egg", 2. preemia Lembit Palmi skulptuur "399" ja 3. preemia Leida Ilo töö "Majakas". Skulptuur püstitatakse Hoiupanga lähedale.

  19. Kõik hea saab kord otsa / Krista Kumberg

    Index Scriptorium Estoniae

    Kumberg, Krista, 1959-

    2010-01-01

    Arvustus: Rowling, J. K. Bard Beedle’i lood / ruunikirjas algteosest tõlkinud Hermione Granger, inglise keelest tõlkinud Krista Kaer. Tallinn : Varrak, 2009 ; Benedictus, David. Tagasi Saja Aakri Metsa. Tallinn : Fookus Meedia, 2009

  20. Maailma parimat Iiri kohvi saab Eestis

    Index Scriptorium Estoniae

    2007-01-01

    Baristade maailmameistrivõistlustel Belgias saavutas Eesti parim kohvikubaarmen Helger Aava kohvikust C'est La Vie parima alkoholi sisaldava kohvijoogi Coffee in Good Spirit valmistamise erivõistlustel esimese koha

  1. Ab initio dynamics of the cytochrome P450 hydroxylation reaction

    Energy Technology Data Exchange (ETDEWEB)

    Elenewski, Justin E.; Hackett, John C, E-mail: jchackett@vcu.edu [Department of Physiology and Biophysics and The Massey Cancer Center, School of Medicine, Virginia Commonwealth University, 401 College Street, Richmond, Virginia 23219-1540 (United States)

    2015-02-14

    The iron(IV)-oxo porphyrin π-cation radical known as Compound I is the primary oxidant within the cytochromes P450, allowing these enzymes to affect the substrate hydroxylation. In the course of this reaction, a hydrogen atom is abstracted from the substrate to generate hydroxyiron(IV) porphyrin and a substrate-centered radical. The hydroxy radical then rebounds from the iron to the substrate, yielding the hydroxylated product. While Compound I has succumbed to theoretical and spectroscopic characterization, the associated hydroxyiron species is elusive as a consequence of its very short lifetime, for which there are no quantitative estimates. To ascertain the physical mechanism underlying substrate hydroxylation and probe this timescale, ab initio molecular dynamics simulations and free energy calculations are performed for a model of Compound I catalysis. Semiclassical estimates based on these calculations reveal the hydrogen atom abstraction step to be extremely fast, kinetically comparable to enzymes such as carbonic anhydrase. Using an ensemble of ab initio simulations, the resultant hydroxyiron species is found to have a similarly short lifetime, ranging between 300 fs and 3600 fs, putatively depending on the enzyme active site architecture. The addition of tunneling corrections to these rates suggests a strong contribution from nuclear quantum effects, which should accelerate every step of substrate hydroxylation by an order of magnitude. These observations have strong implications for the detection of individual hydroxylation intermediates during P450 catalysis.

  2. Microhook ab interno trabeculotomy, a novel minimally invasive glaucoma surgery

    Directory of Open Access Journals (Sweden)

    Tanito M

    2017-12-01

    Full Text Available Masaki Tanito Division of Ophthalmology, Matsue Red Cross Hospital, Matsue, Japan Abstract: Trabeculotomy (LOT is performed to reduce the intraocular pressure in patients with glaucoma, both in children and adults. It relieves the resistance to aqueous flow by cleaving the trabecular meshwork and the inner walls of Schlemm’s canal. Microhook ab interno LOT (µLOT, a novel minimally invasive glaucoma surgery, incises trabecular meshwork using small hooks that are inserted through corneal side ports. An initial case series reported that both µLOT alone and combination of µLOT and cataract surgery normalize the intraocular pressure during the early postoperative period in Japanese patients with glaucoma. Microhook can incise the inner wall of Schlemm’s canal without damaging its outer wall easier than the regular straight knife that is used during goniotomy. Advantages of µLOT include: a wider extent of LOT (two-thirds of the circumference, a simpler surgical technique, being less invasiveness to the ocular surface, a shorter surgical time than traditional ab externo LOT, and no requirement for expensive devices. In this paper, the surgical technique of µLOT and tips of the technique are introduced. Keywords: trabecular meshwork, Schlemm’s canal, intraocular pressure, surgical procedure, glaucoma

  3. Finite Elements in Ab Initio Electronic-Structure Calulations

    Science.gov (United States)

    Pask, J. E.; Sterne, P. A.

    Over the course of the past two decades, the density functional theory (DFT) (see e.g., [1]) of Hohenberg, Kohn, and Sham has proven to be an accurate and reliable basis for the understanding and prediction of a wide range of materials properties from first principles (ab initio), with no experimental input or empirical parameters. However, the solution of the Kohn-Sham equations of DFT is a formidable task and this has limited the range of physical systems which can be investigated by such rigorous, quantum mechanical means. In order to extend the interpretive and predictive power of such quantum mechanical theories further into the domain of "real materials", involving nonstoichiometric deviations, defects, grain boundaries, surfaces, interfaces, and the like; robust and efficient methods for the solution of the associated quantum mechanical equations are critical. The finite-element (FE) method (see e.g., [2]) is a general method for the solution of partial differential and integral equations which has found wide application in diverse fields ranging from particle physics to civil engineering. Here, we discuss its application to large-scale ab initio electronic-structure calculations.

  4. AB INITIO SIMULATIONS FOR MATERIAL PROPERTIES ALONG THE JUPITER ADIABAT

    International Nuclear Information System (INIS)

    French, Martin; Becker, Andreas; Lorenzen, Winfried; Nettelmann, Nadine; Bethkenhagen, Mandy; Redmer, Ronald; Wicht, Johannes

    2012-01-01

    We determine basic thermodynamic and transport properties of hydrogen-helium-water mixtures for the extreme conditions along Jupiter's adiabat via ab initio simulations, which are compiled in an accurate and consistent data set. In particular, we calculate the electrical and thermal conductivity, the shear and longitudinal viscosity, and diffusion coefficients of the nuclei. We present results for associated quantities like the magnetic and thermal diffusivity and the kinematic shear viscosity along an adiabat that is taken from a state-of-the-art interior structure model. Furthermore, the heat capacities, the thermal expansion coefficient, the isothermal compressibility, the Grüneisen parameter, and the speed of sound are calculated. We find that the onset of dissociation and ionization of hydrogen at about 0.9 Jupiter radii marks a region where the material properties change drastically. In the deep interior, where the electrons are degenerate, many of the material properties remain relatively constant. Our ab initio data will serve as a robust foundation for applications that require accurate knowledge of the material properties in Jupiter's interior, e.g., models for the dynamo generation.

  5. ABS-NET: Fully Decentralized Runtime Adaptation for Distributed Objects

    Directory of Open Access Journals (Sweden)

    Karl Palmskog

    2013-10-01

    Full Text Available We present a formalized, fully decentralized runtime semantics for a core subset of ABS, a language and framework for modelling distributed object-oriented systems. The semantics incorporates an abstract graph representation of a network infrastructure, with network endpoints represented as graph nodes, and links as arcs with buffers, corresponding to OSI layer 2 interconnects. The key problem we wish to address is how to allocate computational tasks to nodes so that certain performance objectives are met. To this end, we use the semantics as a foundation for performing network-adaptive task execution via object migration between nodes. Adaptability is analyzed in terms of three Quality of Service objectives: node load, arc load and message latency. We have implemented the key parts of our semantics in a simulator and evaluated how well objectives are achieved for some application-relevant choices of network topology, migration procedure and ABS program. The evaluation suggests that it is feasible in a decentralized setting to continually meet both the objective of a node-balanced task allocation and make headway towards minimizing communication, and thus arc load and message latency.

  6. Improved radioimaging and tumor localization with monoclonal F(ab')2

    International Nuclear Information System (INIS)

    Wahl, R.L.; Parker, C.W.; Philpott, G.W.

    1983-01-01

    Monoclonal anti-tumor antibodies have great promise for radioimmunodetection and localization of tumors. Fab and F(ab')2 fragments, which lack the Fc fragment of antibody (Ab), are cleared more rapidly from the circulation and may have less nonspecific tissue binding than intact Ab. In radioimaging studies using a murine monoclonal antibody to carcinoembryonic antigen in a human colon carcinoma xenografted into hamsters, F(ab')2 fragments were shown superior to Fab fragments and intact antibody for scintiscanning. In double-label experiments with anti-CEA antibody and control monoclonal IgG, F(ab')2 fragments were found to give better and more rapid specific tumor localization than intact antibody or Fab fragments. F(ab')2 fragments offer significant promise for tumor imaging and possibly therapy

  7. Phosphoric acid doped AB-PBI membranes and its applications in high temperature PEMFC

    DEFF Research Database (Denmark)

    He, Ronghuan; Qingfeng, Li; Bjerrum, Niels

    2005-01-01

    Poly(2,5-benzimidazole) (ab-PBI) was prepared from 3,4-diaminobenzoic acid via a polymerisation reaction. The obtained polymer exhibits excellent thermal stability in a temperature range ….. The membrane of ab-PBI when doped with phosphoric acid at room temperaturepresents high proton conductivit......C with phosphoric acid doped ab-PBI as the electrolyte under atmospheric pressure at 200°C without humidification....

  8. Comparative Study of Electroless Copper Film on Different Self-Assembled Monolayers Modified ABS Substrate

    Directory of Open Access Journals (Sweden)

    Jiushuai Xu

    2014-04-01

    Full Text Available Copper films were grown on (3-Mercaptopropyltrimethoxysilane (MPTMS, (3-Aminopropyltriethoxysilane (APTES and 6-(3-(triethoxysilylpropylamino-1,3,5- triazine-2,4-dithiol monosodium (TES self-assembled monolayers (SAMs modified acrylonitrile-butadiene-styrene (ABS substrate via electroless copper plating. The copper films were examined using scanning electron microscopy (SEM and X-ray diffraction (XRD. Their individual deposition rate and contact angle were also investigated to compare the properties of SAMs and electroless copper films. The results indicated that the formation of copper nuclei on the TES-SAMs modified ABS substrate was faster than those on the MPTMS-SAMs and APTES-SAMs modified ABS substrate. SEM images revealed that the copper film on TES-SAM modified ABS substrate was smooth and uniform, and the density of copper nuclei was much higher. Compared with that of TES-SAMs modified resin, the coverage of copper nuclei on MPTMS and APTES modified ABS substrate was very limited and the copper particle size was too big. The adhesion property test demonstrated that all the SAMs enhanced the interfacial interaction between copper plating and ABS substrate. XRD analysis showed that the copper film deposited on SAM-modified ABS substrate had a structure with Cu(111 preferred orientation, and the copper film deposited on TES-SAMs modified ABS substrate is better than that deposited on MPTMS-SAMs or APTES-SAMs modified ABS resins in electromigrtion resistance.

  9. Identification of Bacillus thuringiensis Cry1AbMod binding-proteins from Spodoptera frugiperda.

    Science.gov (United States)

    Martínez de Castro, Diana L; García-Gómez, Blanca I; Gómez, Isabel; Bravo, Alejandra; Soberón, Mario

    2017-12-01

    Bacillus thuringiensis Cry toxins are currently used for pest control in transgenic crops but evolution of resistance by the insect pests threatens the use of this technology. The Cry1AbMod toxin was engineered to lack the alpha helix-1 of the parental Cry1Ab toxin and was shown to counter resistance to Cry1Ab and Cry1Ac toxins in different insect species including the fall armyworm Spodoptera frugiperda. In addition, Cry1AbMod showed enhanced toxicity to Cry1Ab-susceptible S. frugiperda populations. To gain insights into the mechanisms of this Cry1AbMod-enhanced toxicity, we isolated the Cry1AbMod toxin binding proteins from S. frugiperda brush border membrane vesicles (BBMV), which were identified by pull-down assay and liquid chromatography-tandem mass spectrometry (LC-MS/MS). The LC-MS/MS results indicated that Cry1AbMod toxin could bind to four classes of aminopeptidase (N1, N3, N4 y N5) and actin, with the highest amino acid sequence coverage acquired for APN 1 and APN4. In addition to these proteins, we found other proteins not previously described as Cry toxin binding proteins. This is the first report that suggests the interaction between Cry1AbMod and APN in S. frugiperda. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. Development of Anti-lock Braking System (ABS) for Vehicles Braking

    Science.gov (United States)

    Minh, Vu Trieu; Oamen, Godwin; Vassiljeva, Kristina; Teder, Leo

    2016-11-01

    This paper develops a real laboratory of anti-lock braking system (ABS) for vehicle and conducts real experiments to verify the ability of this ABS to prevent the vehicle wheel from being locked while braking. Two controllers of PID and fuzzy logic are tested for analysis and comparison. This ABS laboratory is designed for bachelor and master students to simulate and analyze performances of ABS with different control techniques on various roads and load conditions. This paper provides educational theories and practices on the design of control for system dynamics.

  11. The combined benefits of motorcycle antilock braking systems (ABS) in preventing crashes and reducing crash severity.

    Science.gov (United States)

    Rizzi, Matteo; Kullgren, Anders; Tingvall, Claes

    2016-01-01

    Several studies have reported the benefits of motorcycle antilock braking systems (ABS) in reducing injury crashes, due to improved stability and braking performance. Both aspects may prevent crashes but may also reduce the crash severity when a collision occurs. However, it is still unknown to what extent the reductions in injury crashes with ABS may be due to a combination of these mechanisms. Swedish hospital and police reports (2003-2012) were used. The risk for permanent medical impairment (RPMI) was calculated, showing the risk of at least 1 or 10% permanent medical impairment. In total, 165 crashes involving ABS-equipped motorcycles were compared with 500 crashes with similar motorcycles without ABS. The analysis was performed in 3 steps. First, the reduction in emergency care visits with ABS was calculated using an induced exposure approach. Secondly, the injury mitigating effects of ABS were investigated. The mean RPMI 1+ and RPMI 10+ were analyzed for different crash types. The distributions of impairing injuries (PMI 1+) and severely impairing injuries (PMI 10+) were also analyzed. In the third step, the total reduction of PMI 1+ and PMI 10+ injured motorcyclists was calculated by combining the reductions found in the previous steps. An additional analysis of combined braking systems (CBS) together with ABS was also performed. The results showed that emergency care visits were reduced by 47% with ABS. In the second step, it was found that the mean RPMI 1+ and RPMI 10+ with ABS were 15 and 37% lower, respectively. Finally, the third step showed that the total reductions in terms of crash avoidance and mitigation of PMI 1+ and PMI 10+ injured motorcyclists with ABS were 67 and 55%, respectively. However, PMI 1+ and PMI 10+ leg injuries were not reduced by ABS to the same extent. Indications were found suggesting that the benefits of ABS together with CBS may be greater than ABS alone. This article indicated that motorcycle ABS reduced impairing injuries

  12. Cyclodialysis ab interno as a surgical approach to intractable glaucoma.

    Science.gov (United States)

    Jordan, Jens F; Dietlein, Thomas S; Dinslage, Sven; Lüke, Christoph; Konen, Walter; Krieglstein, Günter K

    2007-08-01

    In glaucoma filtration surgery, the problem of subconjunctival scarring has still not been satisfactorily solved. Suprachoroidal drainage of aqueous humour offers a promising, alternative option for intractable glaucoma. We here present a clinical study on the surgical approach of gonioscopic cyclodialysis ab interno. Twenty-eight eyes of 20 patients with intractable glaucoma were included in this prospective, consecutive, case-control study. The eyes had had a mean of 4.4 +/- 2.4 previous antiglaucomatous interventions. Baseline intraocular pressure (IOP) was 34.3 +/- 10.5 mmHg despite maximum therapy. Under gonioscopic control, cyclodialysis ab interno was performed over two clock times to gain access to the suprachoroidal space. No additional trabecular meshwork surgery was performed. Success was defined as a lowering of IOP to below 21 mmHg without the need for further medication or intervention. Mean postoperative IOP was 14.6 +/- 12.4 mmHg. Mean follow-up (FU) for all eyes was 121.8 days. After a mean of 60 days, 21 eyes (75%) needed further surgical intervention. Qualified success was seen in four eyes (14.3%), with a mean FU of 383.6 days. Three eyes (10.7%) showed absolute success after a mean FU period of 202.7 days. In our series, we obtained the best results for phakic eyes, followed by pseudophakic and aphakic eyes. The results of this study do not provide convincing evidence of the functional efficacy of cyclodialysis ab interno. Nevertheless, the technique is easy to perform and offers safe and atraumatic access to the resorptive capability of the choroid. Conjunctival manipulation is avoided. Contrary to reports in the current literature, in our series, the best results were obtained for phakic eyes, though the small number of eyes included does not allow reliable statistics. Further studies will need to focus on the use of different space-retaining substances or a widening of the cyclodialysis cleft to improve surgical outcome.

  13. Ab initio and kinetic modeling studies of formic acid oxidation

    DEFF Research Database (Denmark)

    Marshall, Paul; Glarborg, Peter

    2015-01-01

    A detailed chemical kinetic model for oxidation of formic acid (HOCHO) in flames has been developed, based on theoretical work and data from literature. Ab initio calculations were used to obtain rate coefficients for reactions of HOCHO with H, O, and HO2. Modeling predictions with the mechanism...... have been compared to the experimental results of de Wilde and van Tiggelen (1968) who measured the laminar burning velocities for HOCHO flames over a range of stoichiometries and dilution ratios. The modeling predictions are generally satisfactory. The governing reaction mechanisms are outlined based...... on calculations with the kinetic model. Formic acid is consumed mainly by reaction with OH, yielding OCHO, which dissociates rapidly to CO2 + H, and HOCO, which may dissociate to CO + OH or CO2 + H, or react with H, OH, or O2 to form more stable products. The branching fraction of the HOCHO + OH reaction, as well...

  14. Erythema ab igne: new technology rebounding upon its users?

    Science.gov (United States)

    Salgado, Fernanda; Handler, Marc Z; Schwartz, Robert A

    2018-04-01

    Erythema ab igne (EAI) is a persistent, chronic skin condition resulting from prolonged exposure to infrared radiation, experienced as heat. Once associated with traditional warming sources like wood burning stoves or open fires, modern, infrared exposure originates also from newer sources like laptops and heating pads and may be creating a rebound of EAI. The epidemiology may be different too, with younger patients than previously seen. Localized EAI over an area of pain in the abdomen or lower back can be a sign of an underlying disorder, including cancer. Prognosis of EAI is good, with removal of the heat source resulting in complete remission. In chronic cases in which premalignant cutaneous dysplasia has resulted, additional treatments may be necessary including topical retinoids, 5-fluorouracil cream, and laser treatments. Rarely, cancers such as squamous cell carcinoma, Merkel cell carcinoma, and cutaneous marginal zone B cell lymphoma have been associated with longstanding EAI. © 2017 The International Society of Dermatology.

  15. Erythema Ab igne after footbath with Chinese herbal remedies

    Directory of Open Access Journals (Sweden)

    Jeng-Feng Chen

    2011-01-01

    Full Text Available Erythema ab igne (EAI is a reticulated, telangiectatic, and hyperpigmented skin eruption resulting from chronic exposure to long-term moderate heat. The incidence has decreased substantially today because of the advent of modern central heating systems. Recently, we encountered a patient who developed EAI after 2 weeks of footbaths with Chinese herbal remedies, which she used to treat her acute ankle sprain. Alternative Chinese medicine, such as herbal footbath, is a prevalent medical practice to treat acute pains as well as many chronic musculoskeletal ailments among Chinese and Asian populations. It has also become increasingly popular in Western countries in the past decade. Herein, we would like to report an uncommon case of iatrogenic EAI caused by footbath and raise the attention of clinicians to such rare, potentially malignant-transforming, dermatosis.

  16. Monte Carlo simulation of the abBA experiment

    Science.gov (United States)

    Frlež, Emil

    2004-10-01

    The abBA collaboration proposes to conduct a program of precise measurements of neutron beta decay correlation coefficients a, b, A, and B at a cold neutron beam facility. We have performed studies of the energy and timing response of a pair of silicon detectors. To this end we have compared (i) the industry-standard SIMION 3D 7.0 program, and (ii) a GEANT4-based code with the addition of appropriate adiabatic invariants in simulating the propagation of the decay electrons and protons in the electromagnetic spectrometer. We use these results to examine the systematic effects and to determine the precision with which the physics parameters a, b, A, and B can be extracted in practice.

  17. Symplectic ab initio no-core shell model

    Energy Technology Data Exchange (ETDEWEB)

    Draayer, J. P.; Dytrych, T.; Sviratcheva, K. D.; Bahri, C. [Department of Physics and Astronomy, Lousiana State University, Baton Rouge, 70803 Lousiana (United States); Vary, J. P. [Department of Physics and Astronomy, Iowa State University, Ames, 50011 Iowa (United States)

    2008-12-15

    The present study confirms the significance of the symplectic Sp(3,R) symmetry in nuclear dynamics as unveiled, for the first time, by examinations of realistic nucleon-nucleon interactions as well as of eigenstates calculated in the framework of the ab initio No-Core Shell Model (NCSM). The results reveal that the NCSM wave functions for light nuclei highly overlap (at the {approx} 90% level) with only a few of the most deformed Sp(3,R)-symmetric basis states. This points to the possibility of achieving convergence of higher-lying collective modes and reaching heavier nuclei by expanding the NCSM basis space beyond its current limits through Sp(3,R) basis states. Furthermore the symplectic symmetry is found to be favored by the JISP 16 and CD-Bonn realistic nucleon-nucleon interactions, which points to a more fundamental origin of the symplectic symmetry. (Author)

  18. Molybdenum-titanium phase diagram evaluated from ab initio calculations

    Science.gov (United States)

    Barzilai, Shmuel; Toher, Cormac; Curtarolo, Stefano; Levy, Ohad

    2017-07-01

    The design of next generation β -type titanium implants requires detailed knowledge of the relevant stable and metastable phases at temperatures where metallurgical heat treatments can be performed. Recently, a standard specification for surgical implant applications was established for Mo-Ti alloys. However, the thermodynamic properties of this binary system are not well known and two conflicting descriptions of the β -phase stability have been presented in the literature. In this study, we use ab initio calculations to investigate the Mo-Ti phase diagram. These calculations predict that the β phase is stable over a wide concentration range, in qualitative agreement with one of the reported phase diagrams. In addition, they predict stoichiometric compounds, stable at temperatures below 300 ∘C , which have not yet been detected by experiments. The resulting solvus, which defines the transition to the β -phase solid solution, therefore occurs at lower temperatures and is more complex than previously anticipated.

  19. Maximizing planet packing in the alpha Centauri AB system

    Science.gov (United States)

    Quarles, Billy L.; Lissauer, Jack J.; Kaib, Nathan A.

    2017-06-01

    Recent observational searches have prompted a rebirth of inquiry surrounding the alpha Centauri AB system. Moreover, numerical studies have suggested that planets can form within dynamically stable zones close to the parent stars. Our previous work (Quarles & Lissauer 2016) determined how individual planets interact with the host binary and the dynamical imprint that arises on billion year timescales. We investigate how the prospects of stability can be altered due to interplanetary interactions within multiple planet systems orbiting either stellar component. We find that systems of tightly packed Earth-mass planets can persist on timescales greater than the age of the binary within each star’s habitable zone. Additionally, the number of planets and the spacing in mutual Hill radii depends on the assumed initial eccentricity due to a forced eccentricity induced by the binary companion.

  20. Ab initio dynamical exchange interactions in frustrated antiferromagnets

    Science.gov (United States)

    Simoni, Jacopo; Stamenova, Maria; Sanvito, Stefano

    2017-08-01

    The ultrafast response to an optical pulse excitation of the spin-spin exchange interaction in transition metal antiferromagnets is studied within the framework of the time-dependent spin-density functional theory. We propose a formulation for the full dynamical exchange interaction, which is nonlocal in space, and it is derived starting from ab initio arguments. Then, we investigate the effect of the laser pulse on the onset of the dynamical process. It is found that we can distinguish two types of excitations, both activated immediately after the action of the laser pulse. While the first one can be associated to a Stoner-like excitation and involves the transfer of spin from one site to another, the second one is related to the ultrafast modification of a Heisenberg-like exchange interaction and can trigger the formation of spin waves in the first few hundred femtoseconds of the time evolution.

  1. Superfluid 3He A-B surface tension

    International Nuclear Information System (INIS)

    Bartkowiak, M.; Haley, R.P.; Fisher, S.N.; Guenault, A.M.; Pickett, G.R.; Skyba, P.

    2003-01-01

    We have made two different measurements of interfacial energies below 300 μK, at zero pressure and in magnetic fields up to 400 mT. A variable magnetic field profile allows us to stabilize and precisely manipulate the position of the A-B interface. First, we can derive the difference in wall wetting energies from the behaviour of the phase boundary as it enters and exits a stack of glass capillary tubes. Secondly, we can measure the surface tension from the level of over- or under-magnetization needed to force the interface through an aperture. These are the first surface energy measurements in high magnetic fields in the zero-temperature limit. Our results are in surprising agreement with earlier measurements at high pressure close to T c

  2. Ab initio Eliashberg Theory: Making Genuine Predictions of Superconducting Features

    Science.gov (United States)

    Sanna, Antonio; Flores-Livas, José A.; Davydov, Arkadiy; Profeta, Gianni; Dewhurst, Kay; Sharma, Sangeeta; Gross, E. K. U.

    2018-04-01

    We present an application of Eliashberg theory of superconductivity to study a set of novel superconducting systems with a wide range of structural and chemical properties. The set includes three intercalated group-IV honeycomb layered structures, SH3 at 200 GPa (the superconductor with the highest measured critical temperature), the similar system SeH3 at 150 GPa, and a lithium doped mono-layer of black phosphorus. The theoretical approach we adopt is a recently developed, fully ab initio Eliashberg approach that takes into account the Coulomb interaction in a full energy-resolved fashion avoiding any free parameters like μ*. This method provides reasonable estimations of superconducting properties, including TC and the excitation spectra of superconductors.

  3. Ab initio electron propagator theory of molecular wires. I. Formalism.

    Science.gov (United States)

    Dahnovsky, Yu; Zakrzewski, V G; Kletsov, A; Ortiz, J V

    2005-11-08

    Ab initio electron propagator methodology may be applied to the calculation of electrical current through a molecular wire. A new theoretical approach is developed for the calculation of the retarded and advanced Green functions in terms of the electron propagator matrix for the bridge molecule. The calculation of the current requires integration in a complex half plane for a trace that involves terminal and Green's-function matrices. Because the Green's-function matrices have complex poles represented by matrices, a special scheme is developed to express these "matrix poles" in terms of ordinary poles. An expression for the current is derived for a terminal matrix of arbitrary rank. For a single terminal orbital, the analytical expression for the current is given in terms of pole strengths, poles, and terminal matrix elements of the electron propagator. It is shown that Dyson orbitals with high pole strengths and overlaps with terminal orbitals are most responsible for the conduction of electrical current.

  4. Ab initio Potential Energy Surface for H-H2

    Science.gov (United States)

    Partridge, Harry; Bauschlicher, Charles W., Jr.; Stallcop, James R.; Levin, Eugene

    1993-01-01

    Ab initio calculations employing large basis sets are performed to determine an accurate potential energy surface for H-H2 interactions for a broad range of separation distances. At large distances, the spherically averaged potential determined from the calculated energies agrees well with the corresponding results determined from dispersion coefficients; the van der Waals well depth is predicted to be 75 +/- (mu)E(sub h). Large basis sets have also been applied to reexamine the accuracy of theoretical repulsive potential energy surfaces. Multipolar expansions of the computed H-H2 potential energy surface are reported for four internuclear separation distances (1.2, 1.401, 1.449, and 1.7a(sub 0) of the hydrogen molecule. The differential elastic scattering cross section calculated from the present results is compared with the measurements from a crossed beam experiment.

  5. Reactive Monte Carlo sampling with an ab initio potential

    International Nuclear Information System (INIS)

    Leiding, Jeff; Coe, Joshua D.

    2016-01-01

    We present the first application of reactive Monte Carlo in a first-principles context. The algorithm samples in a modified NVT ensemble in which the volume, temperature, and total number of atoms of a given type are held fixed, but molecular composition is allowed to evolve through stochastic variation of chemical connectivity. We discuss general features of the method, as well as techniques needed to enhance the efficiency of Boltzmann sampling. Finally, we compare the results of simulation of NH 3 to those of ab initio molecular dynamics (AIMD). We find that there are regions of state space for which RxMC sampling is much more efficient than AIMD due to the “rare-event” character of chemical reactions.

  6. Thermal transport properties of antimonene: an ab initio study.

    Science.gov (United States)

    Wang, Shudong; Wang, Wenhua; Zhao, Guojun

    2016-11-16

    Searching for low thermal conductivity materials is crucial for thermoelectric devices. Here we report on the phonon transport properties of recently fabricated single layer antimony, antimonene [Ares, et al., Adv. Mater., 2016, 28, 6332]. Ab initio calculations in combination with the Boltzmann transport equation (BTE) for phonons show that antimonene has a low lattice thermal conductivity (15.1 W m -1 K -1 at 300 K), indicating its potential thermoelectric applications. The low lattice thermal conductivity is due to its small group velocity, low Debye temperature and large buckling height. We also investigate in detail the mode contributions to total thermal conductivity and find at low frequency that the longitudinal acoustic (LA) branch dominates the thermal conductivity. Moreover, we show that the lattice thermal conductivity of antimonene can further be reduced by minimizing the sample size. Our findings open the field for thermoelectric applications based on antimonene.

  7. Ab initio engineering of materials with stacked hexagonal tin frameworks

    Science.gov (United States)

    Shao, Junping; Beaufils, Clément; Kolmogorov, Aleksey N.

    2016-07-01

    The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Our ab initio results illustrate that despite being an exception to the 8-electron rule, NaSn2 should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculated Z2 invariants, the predicted NaSn2 may display topologically non-trivial behavior and the known BaSn2 could be a strong topological insulator.

  8. Ab initio studies on proton affinities of substituted furans

    International Nuclear Information System (INIS)

    Lee, Gab Yong; Lee, Hyun Mee

    1998-01-01

    The geometry of furan, relevant to the binding of bis-furan lexitropsin that contains this ring to the base pair of minor groove of DNA, is optimized by semiempirical (MNDO) and ab initio (Hartree-Fock) methods. The proton affinity and electronic structure are evaluated at the 6-31G and 6-31G level of theory for the optimized geometry. The proton affinities are also studied for various substituted furans with the electron donating and -withdrawing groups to estimate the substituent effect on the proton affinity of furans. It has been found that the electron-donating substituents increase the proton affinity of of furan, whereas the electron-withdrawing substituents decrease it. This result can be explained with atomic charge and electron density at oxygen of substituted furans

  9. Modeling Deployment Decisions for Elastic Services with ABS

    Directory of Open Access Journals (Sweden)

    Einar Broch Johnsen

    2016-10-01

    Full Text Available The use of cloud technology can offer significant savings for the deployment of services, provided that the service is able to make efficient use of the available virtual resources to meet service-level requirements. To avoid software designs that scale poorly, it is important to make deployment decisions for the service at design time, early in the development of the service itself. ABS offers a formal, model-based approach which integrates the design of services with the modeling of deployment decisions. In this paper, we illustrate the main concepts of this approach by modeling a scalable pool of workers with an auto-scaling strategy and by using the model to compare deployment decisions with respect to client traffic with peak loads.

  10. Quantum plasmonics: from jellium models to ab initio calculations

    Directory of Open Access Journals (Sweden)

    Varas Alejandro

    2016-08-01

    Full Text Available Light-matter interaction in plasmonic nanostructures is often treated within the realm of classical optics. However, recent experimental findings show the need to go beyond the classical models to explain and predict the plasmonic response at the nanoscale. A prototypical system is a nanoparticle dimer, extensively studied using both classical and quantum prescriptions. However, only very recently, fully ab initio time-dependent density functional theory (TDDFT calculations of the optical response of these dimers have been carried out. Here, we review the recent work on the impact of the atomic structure on the optical properties of such systems. We show that TDDFT can be an invaluable tool to simulate the time evolution of plasmonic modes, providing fundamental understanding into the underlying microscopical mechanisms.

  11. Non-stoichiometric AB5 alloys for metal hydride electrodes

    Science.gov (United States)

    Reilly, James J.; Adzic, Gordana D.; Johnson, John R.; Vogt, Thomas; McBreen, James

    2001-01-01

    The present invention provides a non-stoichiometric alloy comprising a composition having the formula AB.sub.5+X an atomic ratio wherein A is selected from the group consisting of the rare earth metals, yttrium, mischmetal, or a combination thereof; B is nickel and tin, or nickel and tin and at least a third element selected from the group consisting of the elements in group IVA of the periodic table, aluminum, manganese, iron, cobalt, copper, antimony or a combination thereof; X is greater than 0 and less than or equal to about 2.0; and wherein at least one substituted A site is occupied by at least one of the B elements. An electrode incorporating said alloy and an electrochemical cell incorporating said electrode are also described.

  12. Constructing ab initio and empirical potential energy surfaces for water

    International Nuclear Information System (INIS)

    Kain, Jacqueline Sophie

    2001-01-01

    The infrared spectrum of water is possibly one of the most well studied and yet portions of it are still poorly understood. Recently, significant advances have been made in assigning water spectra using variational nuclear calculations. The major factor determining the accuracy of ro-vibrational spectra of water is the accuracy of the underlying Potential Energy Surface. Even the most accurate ab initio Potential Energy Surface does not reproduce the Born-Oppenheimer surface to sufficient accuracy for spectroscopic studies. Furthermore, effects beyond this model such as the adiabatic correction, the relativistic correction and the non-adiabatic correction have to be considered. This thesis includes a discussion on how the relativistic correction was calculated, for the water molecule, from first-order perturbation theory. The relativistic correction improved vibrational stretching motion while making the prediction of the bending modes far worse. For rotational motion the relativistic effect had an increasing effect with increasing Ka. A further alteration to the ab initio calculations is introduced by adjusting the barrier to linearity in the water potential. This alteration to the barrier was considered in order to compensate for the lack of convergence of quantum chemical calculations of the Born-Oppenheimer surface. This barrier attempts to represent the change in the potential from linear to equilibrium. We show the improvements this has on the calculated energy levels by comparison with the HITRAN database. This then led the way to the improved spectroscopic potential presented here in this thesis. This new spectroscopic potential reduces the overall standard deviation significantly for vibrational and rotational energy levels. (author)

  13. Effect of gamma irradiation on nutritional components and Cry1Ab protein in the transgenic rice with a synthetic cry1Ab gene from Bacillus thuringiensis

    International Nuclear Information System (INIS)

    Wu Dianxing; Ye Qingfu; Wang Zhonghua; Xia Yingwu

    2004-01-01

    The effects of gamma irradiation on the transgenic rice containing a synthetic cry1Ab gene from Bacillus thuringiensis were investigated. There was almost no difference in the content of the major nutritional components, i.e. crude protein, crude lipid, eight essential amino acids and total ash between the irradiated grains and the non-irradiated transgenic rice. However, the amounts of Cry1Ab protein and apparent amylose in the irradiated transgenic rice were reduced significantly by the doses higher than 200 Gy. In vivo observation showed that Cry1Ab protein contents also decreased in the fresh leaf tissues of survival seedlings after irradiation with 200 Gy or higher doses and showed inhibition of seedling growth. The results indicate that gamma irradiation might improve the quality of transgenic rice due to removal of the toxic Cry1Ab protein

  14. Cell Culture Systems To Study Human Herpesvirus 6A/B Chromosomal Integration.

    Science.gov (United States)

    Gravel, Annie; Dubuc, Isabelle; Wallaschek, Nina; Gilbert-Girard, Shella; Collin, Vanessa; Hall-Sedlak, Ruth; Jerome, Keith R; Mori, Yasuko; Carbonneau, Julie; Boivin, Guy; Kaufer, Benedikt B; Flamand, Louis

    2017-07-15

    Human herpesviruses 6A/B (HHV-6A/B) can integrate their viral genomes in the telomeres of human chromosomes. The viral and cellular factors contributing to HHV-6A/B integration remain largely unknown, mostly due to the lack of efficient and reproducible cell culture models to study HHV-6A/B integration. In this study, we characterized the HHV-6A/B integration efficiencies in several human cell lines using two different approaches. First, after a short-term infection (5 h), cells were processed for single-cell cloning and analyzed for chromosomally integrated HHV-6A/B (ciHHV-6A/B). Second, cells were infected with HHV-6A/B and allowed to grow in bulk for 4 weeks or longer and then analyzed for the presence of ciHHV-6. Using quantitative PCR (qPCR), droplet digital PCR, and fluorescent in situ hybridization, we could demonstrate that HHV-6A/B integrated in most human cell lines tested, including telomerase-positive (HeLa, MCF-7, HCT-116, and HEK293T) and telomerase-negative cell lines (U2OS and GM847). Our results also indicate that inhibition of DNA replication, using phosphonoacetic acid, did not affect HHV-6A/B integration. Certain clones harboring ciHHV-6A/B spontaneously express viral genes and proteins. Treatment of cells with phorbol ester or histone deacetylase inhibitors triggered the expression of many viral genes, including U39 , U90 , and U100 , without the production of infectious virus, suggesting that the tested stimuli were not sufficient to trigger full reactivation. In summary, both integration models yielded comparable results and should enable the identification of viral and cellular factors contributing to HHV-6A/B integration and the screening of drugs influencing viral gene expression, as well as the release of infectious HHV-6A/B from the integrated state. IMPORTANCE The analysis and understanding of HHV-6A/B genome integration into host DNA is currently limited due to the lack of reproducible and efficient viral integration systems. In the

  15. Comparison Between Structures and Properties of ABS Nanocomposites Derived from Two Different Kinds of OMT

    Science.gov (United States)

    Cai, Yibing; Huang, Fenglin; Xia, Xin; Wei, Qufu; Tong, Xutao; Wei, Anfang; Gao, Weidong

    2010-03-01

    In the present work, the hexadecyl triphenyl phosphonium bromide (P16) and cetyl pyridium chloride (CPC) were used to modify montmorillonite (MMT) based on the structural characteristic of the engineering thermoplastic acrylonitrile-butadiene-styrene copolymer (ABS) and the principle of “like dissolves like”, and then used to prepare the ABS/organic-modified montmorillonite (OMT) nanocomposites by melt-intercalation method. The influences of two different kinds of OMT on the structures and properties of the ABS nanocomposites were characterized by x-ray diffraction (XRD), transmission electron microscopy (TEM), high-resolution electron microscopy (HREM), thermogravimetric analyses (TGA), Cone calorimetry and dynamic mechanical analyses (DMA), respectively. The increased basal spacing showed that ABS intercalated into the gallery of the OMT. The morphology indicated that the OMT dispersed well in the ABS resin and the intercalated structure for ABS/OMT-P16 nanocomposites and intercalated-exfoliated structure for ABS/OMT-CPC nanocomposites were respectively formed. The TGA results revealed that onset temperature of thermal degradation and charred residue at 700 °C of the ABS nanocomposites was remarkably enhanced compared to the pure ABS. It was also found from the Cone calorimetry tests that the peak of heat release rate (PHRR) decreased significantly, contributing to the reduced flammability. The DMA measurements indicated that the loading of silicate clays improved the storage modulus of the ABS resin. The partial exfoliation of the OMT-CPC within ABS nanocomposites was advantageous to increasing thermal stability properties, decreasing flammability properties, and improving mechanical properties.

  16. Preclinical profile of AB-423, an inhibitor of Hepatitis B virus pgRNA encapsidation.

    Science.gov (United States)

    Mani, Nagraj; Cole, Andrew G; Phelps, Janet R; Ardzinski, Andrzej; Cobarrubias, Kyle D; Cuconati, Andrea; Dorsey, Bruce D; Evangelista, Ellen; Fan, Kristi; Guo, Fang; Guo, Haitao; Guo, Ju-Tao; Harasym, Troy O; Kadhim, Salam; Kultgen, Steven G; Lee, Amy C H; Li, Alice H L; Long, Quanxin; Majeski, Sara A; Mao, Richeng; McClintock, Kevin D; Reid, Stephen P; Rijnbrand, Rene; Snead, Nicholas M; Micolochick Steuer, Holly M; Stever, Kim; Tang, Sunny; Wang, Xiaohe; Zhao, Qiong; Sofia, Michael J

    2018-03-19

    AB-423 is a sulfamoylbenzamide (SBA) class of HBV capsid inhibitor in Phase 1 clinical trials. In cell culture models AB-423 showed potent inhibition of HBV replication (EC 50 /EC 90 = 0.08-0.27 μM/0.33-1.32 μM) with no significant cytotoxicity (CC 50 >10 μM). Addition of 40% human serum resulted in a 5-fold increase in the EC 50 values. AB-423 inhibited HBV genotypes A through D and nucleos/tide-resistant variants in vitro Treatment of HepDES19 cells with AB-423 resulted in capsid particles devoid of encapsidated pgRNA and rcDNA indicating it is a class II capsid inhibitor. In a de novo infection model AB-423 prevented the conversion of encapsidated rcDNA to cccDNA presumably by interfering with the capsid uncoating process. Molecular docking of AB-423 into crystal structures of heteroaryldihydropyrimidines and an SBA and biochemical studies suggest that AB-423 likely also binds to the dimer:dimer interface of core protein. In vitro dual combination studies with AB-423 and anti-HBV agents such as nucleos/tide analogs, RNAi agents, or interferon-α resulted in additive to synergistic antiviral activity. Pharmacokinetic studies with AB-423 in CD-1 mice showed significant systemic exposures and higher liver accumulation. A 7-day BID administration of AB-423 in a hydrodynamic injection mouse model of HBV model resulted in a dose-dependent reduction in serum HBV DNA levels and combination with ETV or ARB-1467 resulted in a trend towards greater antiviral activity than either agent alone consistent with the results of the in vitro combination studies. The overall preclinical profile of AB-423 supports further evaluation for safety, pharmacokinetics and antiviral activity in CHB patients. Copyright © 2018 American Society for Microbiology.

  17. Expression of Cry1Ab and Cry2Ab by a polycistronic transgene with a self-cleavage peptide in rice.

    Directory of Open Access Journals (Sweden)

    Qichao Zhao

    Full Text Available Insect resistance to Bacillus thuringiensis (Bt crystal protein is a major threat to the long-term use of transgenic Bt crops. Gene stacking is a readily deployable strategy to delay the development of insect resistance while it may also broaden insecticidal spectrum. Here, we report the creation of transgenic rice expressing discrete Cry1Ab and Cry2Ab simultaneously from a single expression cassette using 2A self-cleaving peptides, which are autonomous elements from virus guiding the polycistronic viral gene expression in eukaryotes. The synthetic coding sequences of Cry1Ab and Cry2Ab, linked by the coding sequence of a 2A peptide from either foot and mouth disease virus or porcine teschovirus-1, regardless of order, were all expressed as discrete Cry1Ab and Cry2Ab at high levels in the transgenic rice. Insect bioassays demonstrated that the transgenic plants were highly resistant to lepidopteran pests. This study suggested that 2A peptide can be utilized to express multiple Bt genes at high levels in transgenic crops.

  18. Embedded atom approach for gold–silicon system from ab initio

    Indian Academy of Sciences (India)

    In the present paper, an empirical embedded atom method (EAM) potential for gold–silicon (Au–Si) is developed by fitting to ab initio force (the 'force matching' method) and experimental data. The force database is generated within ab initio molecular dynamics (AIMD). The database includes liquid phase at various ...

  19. Polycarbonate and co-continuous polycarbonate/ABS blends: influence of specimen thickness

    NARCIS (Netherlands)

    Inberg, J.P.F.; Gaymans, R.J.

    2002-01-01

    The influence of specimen thickness on the fracture behaviour of polycarbonate (PC) and co-continuous PC/ABS (50/50) blends was studied in single edge notch tensile tests at 1 m/s and different temperatures (−80 to 130 °C). Specimen thickness ranged from 0.1 to 8 mm. In the co-continuous PC/ABS

  20. Ab initio and Gordon--Kim intermolecular potentials for two nitrogen molecules

    International Nuclear Information System (INIS)

    Ree, F.H.; Winter, N.W.

    1980-01-01

    Both ab initio MO--LCAO--SCF and the electron-gas (or Gordon--Kim) methods have been used to compute the intermolecular potential (Phi) of N 2 molecules for seven different N 2 --N 2 orientations. The ab initio calculations were carried out using a [4s3p] contracted Gaussian basis set with and without 3d polarization functions. The larger basis set provides adequate results for Phi>0.002 hartree or intermolecular separations less than 6.5--7 bohr. We use a convenient analytic expression to represent the ab initio data in terms of the intermolecular distance and three angles defining the orientations of the two N 2 molecules. The Gordon--Kim method with Rae's self-exchange correction yields Phi, which agrees reasonably well over a large repulsive range. However, a detailed comparison of the electron kinetic energy contributions shows a large difference between the ab initio and the Gordon--Kim calculations. Using the ab initio data we derive an atom--atom potential of the two N 2 molecules. Although this expression does not accurately fit the data at some orientations, its spherical average agrees with the corresponding average of the ab initio Phi remarkably well. The spherically averaged ab initio Phi is also compared with the corresponding quantities derived from experimental considerations. The approach of the ab initio Phi to the classical quadrupole--quadrupole interaction at large intermolecular separation is also discussed

  1. AB(2) functional polyesters via ring opening polymerization: synthesis and characterization

    NARCIS (Netherlands)

    Velthoen, I.W.; Dijkstra, Pieter J.; Feijen, Jan

    2009-01-01

    Aliphatic AB2 functional polyesters were conveniently prepared by the ring opening polymerization of ε-caprolactone and L-lactide in the presence of the AB2 functional initiator 2,2-bis(hydroxymethyl)propionic acid (bis-MPA) and Sn(Oct)2 as the catalyst. In L-lactide polymerization, both bis-MPA

  2. Embedded atom approach for gold–silicon system from ab initio ...

    Indian Academy of Sciences (India)

    In the present paper, an empirical embedded atom method (EAM) potential for gold–silicon (Au–Si) is developed by fitting to ab initio force (the 'force matching' method) and experimental data. The force database is generated within ab initio molecular dynamics (AIMD). The database includes liquid phase at various ...

  3. Essentially Small Riemann Sums Fungsi Terintegral Henstock-dunford Pada [A,b

    OpenAIRE

    Solikhin; Sumanto, Y.D; Khabibah, Siti

    2014-01-01

    In this paper we study Henstock-Dunford integral on [a,b]. We discuss some properties of the integrable. We shall define essentially small Riemann sums (ESRS) and show that it is necessary and sufficient condition for function to be Henstock-Dunford integral on [a,b].

  4. Ab interno trabeculectomy: ultrastructural evidence and early tissue response in a human eye.

    Science.gov (United States)

    Ferrari, Ettore; Ortolani, Fulvia; Petrelli, Lucia; Contin, Magali; Pognuz, Derri Roman; Marchini, Maurizio; Bandello, Francesco

    2007-10-01

    To report the results of ultrastructural analysis of the postoperative effects of ab interno trabeculectomy in a human eye. Department of Ophthalmology, Palmanova Hospital, Palmanova, Udine, Italy. A 60-year-old woman with cataract and glaucoma had enucleation for a choroidal melanoma 10 days after ab interno trabeculectomy combined with phacoemulsification. A second ab interno trabeculectomy was performed after enucleation to evaluate the outcomes of the previous trabeculectomy. Light and transmission electron microscopy analyses were performed on samples excised from areas (1) not subjected to a procedure (control samples), (2) that had ab interno trabeculectomy before enucleation, and (3) that had ab interno trabeculectomy immediately after enucleation. Control samples showed normal trabecular features. Semithin sections of all ab interno trabeculectomy samples showed full-thickness removal of trabeculum segments, with Schlemm's canal lumen opening into the anterior chamber and apparent preservation of the adjacent structures. On ultrathin sections of samples that had ab interno trabeculectomy before enucleation, the endothelium lining the outer wall of Schlemm's canal and other angle components showed intact ultrastructural features. In trabecular beams that were not removed, the extracellular matrix appeared to have maintained its fine texture and was free of activated fibroblasts or leucocyte infiltrates. Observations confirm that ab interno trabeculectomy causes direct communication between Schlemm's canal lumen and the anterior chamber in vivo and immediately after enucleation during the early postoperative period. The absence of an evident inflammatory reaction in the examined case should be considered with caution because of possible tumor-induced immune suppression.

  5. Leonid Apananski müüs AB Grupi maa oma firmale / Silva Männik

    Index Scriptorium Estoniae

    Männik, Silva, 1974-

    1999-01-01

    Ilmunud ka: Den za Dnjom Nov/26 lk. 8. Apananski müüs AB Kindlustuse Grupile kuulunud Maakri tänava kinnistu. Skeem: AB Grupist on välja viidud ligikaudu 70 milj. krooni. Ilmunud ka: Den za Dnjom 23. nov. lk. 3

  6. Application of Cry1Ab/Ac Bt strip for screening of resistance for ...

    African Journals Online (AJOL)

    In this study, the efficacy of using Cry1Ab/Ac Bt strip for detecting Maruca resistant transgene in transgenic cowpea was systematically investigated for the first time through field derived progenies. The results show ... Keywords: Bacillus thuriengiensis, Cry1Ab/Ac Bt strips, transgenic cowpea, Maruca vitrata. African Journal of ...

  7. Inhibition of cholera toxin and other AB toxins by polyphenolic compounds

    Science.gov (United States)

    All AB-type protein toxins have intracellular targets despite an initial extracellular location. These toxins use different methods to reach the cytosol and have different effects on the target cell. Broad-spectrum inhibitors against AB toxins are therefore hard to develop because the toxins use dif...

  8. Die gesprek tussen AB du Toit en EP Sanders oor Paulus en die ...

    African Journals Online (AJOL)

    Die pad vorentoe. PF Craffert. Universiteit van Suid-Afrika. Abstract. The debate between AB du Toit and EP Sanders on. Paul and Palestinian Judaism: The road ahead. The aim of the article is to analyse the underlying structure of the critical reaction of AB du Toit against. EP Sanders's Pauline interpretation. It is shown that.

  9. Engine with hydraulic fuel injection and ABS circuit using a single high pressure pump

    Science.gov (United States)

    Bartley, Bradley E.; Blass, James R.; Gibson, Dennis H.

    2001-01-01

    An engine system comprises a hydraulically actuated fuel injection system and an ABS circuit connected via a fluid flow passage that provides hydraulic fluid to both the fuel injection system and to the ABS circuit. The hydraulically actuated system includes a high pressure pump. The fluid control passage is in fluid communication with an outlet from the high pressure pump.

  10. Influence of Cellulose on the Mechanical and Thermal Stability of ABS Plastic Composites

    Directory of Open Access Journals (Sweden)

    K. Crews

    2016-01-01

    Full Text Available Microcrystalline cellulose was explored as possible biodegradable fillers in the fabrication of ABS plastic composites. TGA indicates that upon inclusion of cellulose microcrystals the thermal stability of the ABS plastics was improved significantly when compared to the neat ABS plastic counterparts. Furthermore, inclusion of extracted cellulose from plant biomass showed a higher thermal stability with maximum decomposition temperatures around 131.95°C and 124.19°C for cellulose from cotton and Hibiscus sabdariffa, respectively, when compared to that of the purchased cellulose. In addition, TMA revealed that the average CTE value for the neat ABS and 1 : 1 ratio of cellulose to ABS fabricated in this study was significantly lower than the reported CTE (ca. 73.8 μm/m°C.

  11. Preparation of a pure 99mTc-F(ab')2 radioimmunoconjugate by direct labeling methods

    International Nuclear Information System (INIS)

    Griffiths, G.L.; Jones, A.L.; Hansen, H.J.; Goldenberg, D.M.

    1994-01-01

    Intact IgG and Fab' can be labeled directly with 99m Tc to give quantitative incorporation of radioactivity into the protein. With F(ab') 2 the reductive conditions yield a mixture of 99m Tc-F(ab') 2 and 99m Tc-Fab'. We now report a direct labeling method to produce only 99m Tc-F(ab') 2 in quantitative yield and contaminated with 99m Tc-Fab'. The properties, stability and biodistribution of the 99m Tc-F(ab') 2 have been compared to 99m Tc-Fab'. This new technology will allow us to compare technetium direct-labeled IgG, F(ab') 2 and Fab' derivatives of the same antibody for radioimmunodetection. (author)

  12. FTIR analysis on aging characteristics of ABS/PC blend under UV-irradiation in air

    Science.gov (United States)

    Li, Jiarong; Chen, Fu; Yang, Long; Jiang, Long; Dan, Yi

    2017-09-01

    Fourier Transform Infrared Spectroscopy (FTIR) is adopted to study the aging characteristics of poly(acrylonitrile-butadiene-styrene)/polycarbonate (ABS/PC) blend under UV-irradiation in air by analyzing the variation of the three main absorbance at about 967 cm- 1, 1720 cm- 1 and 3420 cm- 1 associated with carbon-hydrogen bonds belonging to 1,4 butadiene, carbonyl and hydroxyl groups, respectively. Results indicate that, under UV-irradiation in air, the photo-oxidation of the blend is not a simple combination of the photo-oxidation of corresponding ABS and PC themselves and takes place predominantly at the ABS component. Due to the interaction between the two components and the Fries rearrangement taken place in the PC component during the UV-irradiation in air, the ABS/PC blends behave higher photo-stability than ABS has.

  13. Summation of Parquet diagrams as an ab initio method in nuclear structure calculations

    International Nuclear Information System (INIS)

    Bergli, Elise; Hjorth-Jensen, Morten

    2011-01-01

    Research highlights: → We present a Green's function based approach for doing ab initio nuclear structure calculations. → In particular the sum the subset of so-called Parquet diagrams. → Applying the theory to a simple but realistic model, results in good agreement with other ab initio methods. → This opens up for ab initio calculations for medium-heavy nuclei. - Abstract: In this work we discuss the summation of the Parquet class of diagrams within Green's function theory as a possible framework for ab initio nuclear structure calculations. The theory is presented and some numerical details are discussed, in particular the approximations employed. We apply the Parquet method to a simple model, and compare our results with those from an exact solution. The main conclusion is that even at the level of approximation presented here, the results shows good agreement with other comparable ab initio approaches.

  14. Radioimmunoimaging using F(ab')2 fragment of monoclonal antibodies against human alpha-fetoprotein

    International Nuclear Information System (INIS)

    Sakahara, Harumi; Endo, Keigo; Nakashima, Tetsuo; Koizumi, Mitsuru; Ohta, Hitoya; Torizuka, Kanji; Okada, Kenichiro; Yoshida, Osamu; Nishi, Shinzo.

    1985-01-01

    Using monoclonal antibodies against human α-fetoprotein (AFP), radioiodinated F(ab') 2 fragments were compared with whole IgG as a radiotracer for radioimmunoimaging of cancer. F(ab') 2 fragments were obtained by pepsin digestion of whole IgG (IgGl). IgG and F(ab') 2 were labeled with 125 I or 131 I by the chloramine-T method with almost full retention of antibody activity. F(ab') 2 fragments were cleared more rapidly from the circulation in normal mice with a half life of 6.3 hours than whole IgG with a half life of 5.5 days. Radioactivity of F(ab') 2 in various organs also decreased faster than IgG. In nude mice transplanted with AFP-producing human testicular tumor, F(ab') 2 fragments demonstrated superior scintigrams to whole IgG at 2 days after the injection, because of the fast disappearance of background radioactivity. Although absolute accumulation of 131 I labeled F(ab') 2 in the tumor was less than that of 131 I labeled IgG, tumor to other organ ratios were much higher with F(ab') 2 than those of IgG. The tumor to blood ratio of 131 I labeled F(ab') 2 was 1.04 at day 2, whereas tumor to blood ratio of 131 I labeled IgG was 0.55 at day 2 and 0.92 at day 4, respectively. These results indicated that for the radiolabeling of monoclonal antibodies, F(ab') 2 fragments would be superior to whole IgG in the radioimmunoimaging of cancer. (author)

  15. Evaluation of corn hybrids expressing Cry1F, cry1A.105, Cry2Ab2, Cry34Ab1/Cry35Ab1, and Cry3Bb1 against southern United States insect pests.

    Science.gov (United States)

    Siebert, M W; Nolting, S P; Hendrix, W; Dhavala, S; Craig, C; Leonard, B R; Stewart, S D; All, J; Musser, F R; Buntin, G D; Samuel, L

    2012-10-01

    Studies were conducted across the southern United States to characterize the efficacy of multiple Bacillus thuringiensis (Bt) events in a field corn, Zea mays L., hybrid for control of common lepidopteran and coleopteran pests. Cry1F protein in event TC1507 and Cry1A.105 + Cry2Ab2 proteins in event MON 89034 were evaluated against pests infesting corn on above-ground plant tissue including foliage, stalks, and ears. Cry34Ab1/Cry35Ab1 proteins in event DAS-59122-7 and Cry3Bb1 in event MON 88017 were evaluated against the larvae of Mexican corn rootworm, Diabrotica virgifera zeae Krysan and Smith, which occur below-ground. Field corn hybrids containing Cry1F, Cry1A.105 + Cry2Ab2, Cry34Ab1/Cry35Ab1, and Cry3Bb1 insecticidal proteins (SmartStax) consistently demonstrated reductions in plant injury and/or reduced larval survivorship as compared with a non-Bt field corn hybrid. Efficacy provided by a field corn hybrid with multiple Bt proteins was statistically equal to or significantly better than corn hybrids containing a single event active against target pests. Single event field corn hybrids provided very high levels of control of southwestern corn borer, Diatraea grandiosella (Dyar), lesser cornstalk borer, Elasmopalpus lignosellus (Zeller), and fall armyworm, Spodoptera frugiperda (J.E. Smith), and were not significantly different than field corn hybrids with multiple events. Significant increases in efficacy were observed for a field corn hybrid with multiple Bt events for sugarcane borer, Diatraea saccharalis (F.), beet armyworm, Spodoptera exigua (Hübner), corn earworm, Helicoverpa zea (Boddie), and Mexican corn rootworm. Utilization of field corn hybrids containing multiple Bt events provides a means for managing insect resistance to Bt proteins and reduces non-Bt corn refuge requirements.

  16. Ab initio modelling of transition metals in diamond

    International Nuclear Information System (INIS)

    Watkins, M; Mainwood, A

    2003-01-01

    Transition metals (TM) from the first transition series are commonly used as solvent catalysts in the synthesis of diamond by high pressure, high temperature processes. Ab initio calculations on these metals, in finite clusters of tetrahedrally coordinated carbon, enable us to investigate trends in their stability and properties. By carrying out systematic studies of interstitial, substitutional and semi-vacancy TM defects, we show that the electronic structure of the TMs is complicated by the presence of 'dangling bonds' when the TM disrupts the crystal lattice: interstitial defects conform to the Ludwig-Woodbury (LW) model, whilst substitutional and semi-vacancy defects move from approximating the LW model early in the transition series to approaching the vacancy model for the heavier metals. Multi-configurational self-consistent field methods allow genuine many-electron states to be modelled; for neutral interstitial, and all substitutional TMs, the crystal fields are found to exceed the exchange energies in strength. Consequently, low spin states are found for these defects. We find substitutional defects to be the most stable, but that semi-vacancy TMs are very similar in energy to the substitutional defects late in the transition series; interstitial defects are only metastable in diamond. Given appropriate charge compensators neutral and positively charged interstitial TM defects were stable, while negatively charged species appeared to be strongly disfavoured

  17. Ab initio transport across bismuth selenide surface barriers

    KAUST Repository

    Narayan, Awadhesh

    2014-11-24

    © 2014 American Physical Society. We investigate the effect of potential barriers in the form of step edges on the scattering properties of Bi2Se3(111) topological surface states by means of large-scale ab initio transport simulations. Our results demonstrate the suppression of perfect backscattering, while all other scattering processes, which do not entail a complete spin and momentum reversal, are allowed. Furthermore, we find that the spin of the surface state develops an out-of-plane component as it traverses the barrier. Our calculations reveal the existence of quasibound states in the vicinity of the surface barriers, which appear in the form of an enhanced density of states in the energy window corresponding to the topological state. For double barriers we demonstrate the formation of quantum well states. To complement our first-principles results we construct a two-dimensional low-energy effective model and illustrate its shortcomings. Our findings are discussed in the context of a number of recent experimental works.

  18. Ab initio prediction of nano-structured materials using supercomputer

    International Nuclear Information System (INIS)

    Kumar, V.; Kawazoe, Y.

    2003-01-01

    Full text: Nano-structured materials are currently attracting great attention due to their promise in future nano-technologies. In the scale of a nanometer, properties of matter are sensitive to the atomic details that are often difficult to obtain from experiments. Impurities could change the properties very significantly. Predictive computer simulations based on ab initio methods are playing a very important role in not only supporting and explaining the experimental findings but also suggesting new possibilities. We shall present a brief overview of the current research done in our group using the supercomputing facilities of the IMR in designing and predicting nano-structured materials. These include the areas of molecular electronics, carbon fullerenes and nanotubes, super-structures on surfaces, multilayers, clusters and nanowires using calculational approaches such as all electron mixed basis, augmented plane wave, localized basis and pseudopotential plane wave methods. More accurate descriptions based on GW and QMC methods are also used. The possibilities of doing large scale calculations are also allowing the study of biological systems such as DNA. We shall discuss in more detail our recent predictions of novel metal encapsulated silicon fullerenes and nanotubes that offer new possibilities in developing silicon based technologies at the nano-scale

  19. Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution.

    Science.gov (United States)

    Usui, Kota; Hunger, Johannes; Sulpizi, Marialore; Ohto, Tatsuhiko; Bonn, Mischa; Nagata, Yuki

    2015-08-20

    Ab initio molecular dynamics (AIMD) simulations in trimethylamine N-oxide (TMAO)-D2O solution are employed to elucidate the effects of TMAO on the reorientational dynamics of D2O molecules. By decomposing the O-D groups of the D2O molecules into specific subensembles, we reveal that water reorientational dynamics are retarded considerably in the vicinity of the hydrophilic TMAO oxygen (O(TMAO)) atom, due to the O-D···O(TMAO) hydrogen-bond. We find that this reorientational motion is governed by two distinct mechanisms: The O-D group rotates (1) after breaking the O-D···O(TMAO) hydrogen-bond, or (2) together with the TMAO molecule while keeping this hydrogen-bond intact. While the orientational slow-down is prominent in the AIMD simulation, simulations based on force field models exhibit much faster dynamics. The simulated angle-resolved radial distribution functions illustrate that the O-D···O(TMAO) hydrogen-bond has a strong directionality through the sp(3) orbital configuration in the AIMD simulation, and this directionality is not properly accounted for in the force field simulation. These results imply that care must be taken when modeling negatively charged oxygen atoms as single point charges; force field models may not adequately describe the hydration configuration and dynamics.

  20. Ab initio calculations of free-energy reaction barriers

    International Nuclear Information System (INIS)

    Bucko, T

    2008-01-01

    The theoretical description of chemical reactions was until recently limited to a 'static' approach in which important parameters such as the rate constant are deduced from the local topology of the potential energy surface close to minima and saddle points. Such an approach has, however, serious limitations. The growing computational power allows us now to use advanced simulation techniques to determine entropic effects accurately for medium-sized systems at ab initio level. Recently, we have implemented free-energy simulation techniques based on molecular dynamics, in particular on the blue-moon ensemble technique and on metadynamics, in the popular DFT code VASP. In the thermodynamic integration (blue-moon ensemble) technique, the free-energy profile is calculated as the path integral over the restoring forces along a parametrized reaction coordinate. In metadynamics, an image of the free-energy surface is constructed on the fly during the simulation by adding small repulsive Gaussian-shaped hills to the Lagrangian driving the dynamics. The two methods are tested on a simple chemical reaction-the nucleophilic substitution of methyl chloride by a chlorine anion

  1. Ab-initio calculations for dilute magnetic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Belhadji, Brahim

    2008-03-03

    This thesis focusses on ab-initio calculations for the electronic structure and the magnetic properties of dilute magnetic semiconductors (DMS). In particular we aim at the understanding of the complex exchange interactions in these systems. Our calculations are based on density functional theory, being ideally suited for a description of the material specific properties of the considered DMS. Moreover we use the KKR Green function method in connection with the coherent potential approximation (CPA), which allows to include the random substitutional disorder in a mean field-like approximation for the electronic structure. Finally we calculate the exchange coupling constants J{sub ij} between two impurities in a CPA medium by using the Lichtenstein formula and from this calculate the Curie temperature by a numerically exact Monte Carlo method. Based on this analysis we found and investigated four different exchange mechanisms being of importance in DMS systems: Double exchange, p-d exchange, antiferromagnetic superexchanges, and ferromagnetic superexchange. A second topic we have investigated in this thesis is the pressure dependence of the exchange interactions and the Curie temperatures in (Ga,Mn)As and (In,Mn)As, using the LDA and the LDA+U approximations. Exact calculations of T{sub C} by Monte Carlo simulations show a somehow different behavior. (orig.)

  2. Development of materials science by Ab initio powder diffraction analysis

    International Nuclear Information System (INIS)

    Fujii, Kotaro

    2015-01-01

    Crystal structure is most important information to understand properties and behavior of target materials. Technique to analyze unknown crystal structures from powder diffraction data (ab initio powder diffraction analysis) enables us to reveal crystal structures of target materials even we cannot obtain a single crystal. In the present article, three examples are introduced to show the power of this technique in the field of materials sciences. The first example is dehydration/hydration of the pharmaceutically relevant material erythrocycin A. In this example, crystal structures of two anhydrous phases were determined from synchrotron X-ray powder diffraction data and their different dehydration/hydration properties were understood from the crystal structures. In the second example, a crystal structure of a three dimensional metal-organic-framework prepared by a mechanochemical reaction was determined from laboratory X-ray powder diffraction data and the reaction scheme has been revealed. In the third example, a crystal structure of a novel oxide-ion conductor of a new structure family was determined from synchrotron X-ray and neutron powder diffraction data which gave an important information to understand the mechanism of the oxide-ion conduction. (author)

  3. An Ab Initio Based Potential Energy Surface for Water

    Science.gov (United States)

    Partridge, Harry; Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

    1996-01-01

    We report a new determination of the water potential energy surface. A high quality ab initio potential energy surface (PES) and dipole moment function of water have been computed. This PES is empirically adjusted to improve the agreement between the computed line positions and those from the HITRAN 92 data base. The adjustment is small, nonetheless including an estimate of core (oxygen 1s) electron correlation greatly improves the agreement with experiment. Of the 27,245 assigned transitions in the HITRAN 92 data base for H2(O-16), the overall root mean square (rms) deviation between the computed and observed line positions is 0.125/cm. However the deviations do not correspond to a normal distribution: 69% of the lines have errors less than 0.05/cm. Overall, the agreement between the line intensities computed in the present work and those contained in the data base is quite good, however there are a significant number of line strengths which differ greatly.

  4. Perovskite transparent conducting oxides: an ab initio study.

    Science.gov (United States)

    Dabaghmanesh, S; Saniz, R; Amini, M N; Lamoen, D; Partoens, B

    2013-10-16

    We present an ab initio study of the electronic structure and of the formation energies of various point defects in BaSnO3 and SrGeO3. We show that La and Y impurities substituting Ba or Sr are shallow donors with a preferred 1 + charge state. These defects have a low formation energy within all the suitable equilibrium growth conditions considered. Oxygen vacancies behave as shallow donors as well, preferring the 2 + charge state. Their formation energies, however, are higher in most growth conditions, indicating a limited contribution to conductivity. The calculated electron effective mass in BaSnO3, with a value of 0.21 m(e), and the very high mobility reported recently in La-doped BaSnO3 single-crystals, suggest that remarkably low scattering rates can be achieved in the latter. In the case of SrGeO3, our results point to carrier density and mobility values in the low range for typical polycrystalline TCOs, in line with experiment.

  5. Accurate ab initio vibrational energies of methyl chloride

    International Nuclear Information System (INIS)

    Owens, Alec; Yurchenko, Sergei N.; Yachmenev, Andrey; Tennyson, Jonathan; Thiel, Walter

    2015-01-01

    Two new nine-dimensional potential energy surfaces (PESs) have been generated using high-level ab initio theory for the two main isotopologues of methyl chloride, CH 3 35 Cl and CH 3 37 Cl. The respective PESs, CBS-35  HL , and CBS-37  HL , are based on explicitly correlated coupled cluster calculations with extrapolation to the complete basis set (CBS) limit, and incorporate a range of higher-level (HL) additive energy corrections to account for core-valence electron correlation, higher-order coupled cluster terms, scalar relativistic effects, and diagonal Born-Oppenheimer corrections. Variational calculations of the vibrational energy levels were performed using the computer program TROVE, whose functionality has been extended to handle molecules of the form XY 3 Z. Fully converged energies were obtained by means of a complete vibrational basis set extrapolation. The CBS-35  HL and CBS-37  HL PESs reproduce the fundamental term values with root-mean-square errors of 0.75 and 1.00 cm −1 , respectively. An analysis of the combined effect of the HL corrections and CBS extrapolation on the vibrational wavenumbers indicates that both are needed to compute accurate theoretical results for methyl chloride. We believe that it would be extremely challenging to go beyond the accuracy currently achieved for CH 3 Cl without empirical refinement of the respective PESs

  6. Accurate ab initio vibrational energies of methyl chloride

    Energy Technology Data Exchange (ETDEWEB)

    Owens, Alec, E-mail: owens@mpi-muelheim.mpg.de [Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr (Germany); Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London (United Kingdom); Yurchenko, Sergei N.; Yachmenev, Andrey; Tennyson, Jonathan [Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London (United Kingdom); Thiel, Walter [Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr (Germany)

    2015-06-28

    Two new nine-dimensional potential energy surfaces (PESs) have been generated using high-level ab initio theory for the two main isotopologues of methyl chloride, CH{sub 3}{sup 35}Cl and CH{sub 3}{sup 37}Cl. The respective PESs, CBS-35{sup  HL}, and CBS-37{sup  HL}, are based on explicitly correlated coupled cluster calculations with extrapolation to the complete basis set (CBS) limit, and incorporate a range of higher-level (HL) additive energy corrections to account for core-valence electron correlation, higher-order coupled cluster terms, scalar relativistic effects, and diagonal Born-Oppenheimer corrections. Variational calculations of the vibrational energy levels were performed using the computer program TROVE, whose functionality has been extended to handle molecules of the form XY {sub 3}Z. Fully converged energies were obtained by means of a complete vibrational basis set extrapolation. The CBS-35{sup  HL} and CBS-37{sup  HL} PESs reproduce the fundamental term values with root-mean-square errors of 0.75 and 1.00 cm{sup −1}, respectively. An analysis of the combined effect of the HL corrections and CBS extrapolation on the vibrational wavenumbers indicates that both are needed to compute accurate theoretical results for methyl chloride. We believe that it would be extremely challenging to go beyond the accuracy currently achieved for CH{sub 3}Cl without empirical refinement of the respective PESs.

  7. Double-walled silicon nanotubes: an ab initio investigation

    Science.gov (United States)

    Lima, Matheus P.

    2018-02-01

    The synthesis of silicon nanotubes realized in the last decade demonstrates multi-walled tubular structures consisting of Si atoms in {{sp}}2 and the {{sp}}3 hybridizations. However, most of the theoretical models were elaborated taking as the starting point {{sp}}2 structures analogous to carbon nanotubes. These structures are unfavorable due to the natural tendency of the Si atoms to undergo {{sp}}3. In this work, through ab initio simulations based on density functional theory, we investigated double-walled silicon nanotubes proposing layered tubes possessing most of the Si atoms in an {{sp}}3 hybridization, and with few {{sp}}2 atoms localized at the outer wall. The lowest-energy structures have metallic behavior. Furthermore, the possibility to tune the band structure with the application of a strain was demonstrated, inducing a metal-semiconductor transition. Thus, the behavior of silicon nanotubes differs significantly from carbon nanotubes, and the main source of the differences is the distortions in the lattice associated with the tendency of Si to make four chemical bonds.

  8. The wonderful complexity of the Mira AB system

    Science.gov (United States)

    Ramstedt, S.; Mohamed, S.; Vlemmings, W. H. T.; Maercker, M.; Montez, R.; Baudry, A.; De Beck, E.; Lindqvist, M.; Olofsson, H.; Humphreys, E. M. L.; Jorissen, A.; Kerschbaum, F.; Mayer, A.; Wittkowski, M.; Cox, N. L. J.; Lagadec, E.; Leal-Ferreira, M. L.; Paladini, C.; Pérez-Sánchez, A.; Sacuto, S.

    2014-10-01

    We have mapped the 12CO(3-2) line emission around the Mira AB system at 0.̋5 resolution using the Atacama Large Millimeter/submillimeter Array (ALMA). The CO map shows amazing complexity. The circumstellar gas has been shaped by different dynamical actors during the evolution of the system, and several morphological components can be identified. The companion is marginally resolved in continuum emission and is currently at 0.̋487 ± 0.̋006 separation. In the main line component, centered on the stellar velocity, spiral arcs around Mira A are found. The spiral appears to be relatively flat and oriented in the orbital plane. An accretion wake behind the companion is clearly visible, and the projected arc separation is about 5''. In the blue wing of the line emission, offset from the main line, several large (~5-10'') opposing arcs are found. We tentatively suggest that this structure is created by the wind of Mira B blowing a bubble in the expanding envelope of Mira A. Appendix A is available in electronic form at http://www.aanda.org

  9. Fatigue Characteristics of 3D Printed Acrylonitrile Butadiene Styrene (ABS)

    Science.gov (United States)

    Padzi, M. M.; Bazin, M. M.; Muhamad, W. M. W.

    2017-11-01

    Recently, the use of 3D printer technology has become significant to industries, especially when involving the new product development. 3D printing is a technology, which produces the 3D product or prototype using a layer-by-layer technique. However, there becomes less research on the mechanical performance of the 3D printed component. In the present work, fatigue characteristics of 3D printed specimen have been studied. Acrylonitrile butadiene styrene (ABS) has been chosen as a material research due to its wide applications. Two types of specimen used, which is the 3D printing and moulding specimens. Fused deposition modelling (FDM) technique was used to produce the specimens. The dog bone shape part was produced based on ASTM D638 standard and the tensile test has been carried out to get the mechanical properties. Fatigue test was carried out at 40%, 60% and 80% of the tensile strength. The moulded part shows higher fatigue cycles compared to 3D printed part for all loading percentages. Fatigue lives for 40%, 60% and 80%, were 911, 2645 and 26948 cycles, respectively. The results indicated that 3D printed part has a lower fatigue life, which may not suitable for industrial applications. However, the 3D printed part could be improved by using various parameters and may be introduced in low strength application.

  10. Ab initio theory of magnetic correlations in itinerant magnets

    International Nuclear Information System (INIS)

    Ling, M.F.

    1997-01-01

    One of the challenging problems in modern magnetism is the description of the paramagnetic state because at finite temperatures the effect of spin fluctuation plays a fundamental role in altering the electronic structure. In magnetic metals, the magnetic properties are linked to the underlying spin-polarised electronic structure in a highly complex manner. In recent years, first-principles electronic structure theories based on the spin density functional (SDF) theory have been able to provide a quantitative account of many ground-state magnetic properties. In this article, the effect of spin fluctuation on the spin-polarised electronic structure and thus the magnetic properties will be discussed and its incorporation into ab initio calculations explained. If the magnetic and compositional ordering energies of magnetic metallic alloys are close, the compositional and magnetic correlations can profoundly influence each other. A theoretical formalism for treating these correlations within the framework of a first-principle electronic structure theory will be elaborated and the application to a number of magnetic alloys discussed and compared with experiments. (author)

  11. Abdominal strengthening using the AbVice machine as measured by surface electromyographic activation levels.

    Science.gov (United States)

    Avedisian, Lori; Kowalsky, Don S; Albro, Richard C; Goldner, Daniel; Gill, Robert C

    2005-08-01

    Twenty-four college students served as subjects in a study that examined the effect of a prototypical abdominal muscle strengthening device (AbVice) compared with other devices currently on the market. The purpose of the present study was to investigate a prototypical device (AbVice) that incorporates contraction of the hamstring and gluteal musculature in conjunction with the abdominals, which may assist in decreasing activation of the hip flexors by allowing greater activity levels of the abdominal musculature via the theory of reflex inhibition, compared with other devices currently available on the market (AbRoller and AbRocker). The repeated-measures study included 17 women and 7 men who ranged in age from 20-23 years (mean +/- SD age, 21.3 +/- 1.5 years). Each subject underwent a single session of data collection during which they completed 10 repetitions of abdominal crunches per device. Subjects completed 4 different crunch sets (AbRocker, AbRoller, standard crunch, AbVice). Counterbalancing of the device was used to negate the effect of fatigue. Speed of repetitions was ensured via use of a metronome set at 40 b.min(-1) to permit similar contraction times and rest periods between repetitions. Rest between conditions was 3 minutes. Mean activation levels of surface electromyography (EMG) were recorded for each condition at the following locations on the right side of the body: rectus abdominis 2.5 cm superior to the umbilicus, rectus abdominis 2.5 cm inferior to the umbilicus, external oblique abdominis 1.0 cm medial to the anterior superior iliac spine, and external oblique abdominis less than 1.0 cm superior to the inguinal ligament. Mean (SD) activation was 1,165.21 mV (634.60 mV) with the AbVice, 242.92 mV (263.03 mV) with the AbRocker, 753.29 mV (514.80 mV) with the standard crunch, and 757.67 mV (542.85 mV) with the AbRoller. Broken down by sex, women had the following mean (SD) EMG values: 1,079.76 mV (705.02 mV) with the AbVice, 680.35 mV (535.35 m

  12. Intermediate steroid withdrawal after renal transplantation and anti-HLA antibodies (HLA-Abs) development.

    Science.gov (United States)

    Monfá, Elena; San Segundo, David; San Millán, Juan Carlos Ruiz; Sanabria, Judith; Albines, Zoila; Rodrigo, Emilio; Romón, Iñigo; Asensio, Esther; Arias, Manuel; López-Hoyos, Marcos

    Steroid withdrawal in renal transplantation is desirable to avoid their adverse effects. However, by decreasing the immunosuppression, could lead to an increased risk for the development of HLA-Abs. Evaluate the relationship between steroid withdrawal and development of HLA-Abs in renal transplantation. We analyzed sera by Luminex from 182 kidney transplants performed from 1998 to 2011, before and two years after transplantation. All the patients had a pretransplant PRA (panel reactive of antibodies) 20%, we detected HLA-Abs pretransplant by Luminex in 11.5% of patients in both groups, of which, 66.6%, versus 53% (p 0.058), developed new specificities, with a similar percentage of donor specific antibodies (DSA) in both groups (33.33% vs 36.36%), pNS. In the subgroup without pretransplant HLA-Abs (group-I; n=115, group-II; n=45), 6.08% developed de novo HLA-Abs, being DSA 3.4% (Group-I) versus 7.69% in group II with 3.84% DSA (pNS). Steroid withdrawal at 7 months of renal transplantation does not entail a higher risk in terms of HLA-Abs development in patients without pretransplant HLA-Abs and treatment with tacrolimus and MMF, although larger studies are needed to confirm these findings. Copyright © 2017 Sociedad Española de Nefrología. Published by Elsevier España, S.L.U. All rights reserved.

  13. High Yield Chemical Vapor Deposition Growth of High Quality Large-Area AB Stacked Bilayer Graphene

    Science.gov (United States)

    Liu, Lixin; Zhou, Hailong; Cheng, Rui; Yu, Woo Jong; Liu, Yuan; Chen, Yu; Shaw, Jonathan; Zhong, Xing; Huang, Yu; Duan, Xiangfeng

    2012-01-01

    Bernal stacked (AB stacked) bilayer graphene is of significant interest for functional electronic and photonic devices due to the feasibility to continuously tune its band gap with a vertical electrical field. Mechanical exfoliation can be used to produce AB stacked bilayer graphene flakes but typically with the sizes limited to a few micrometers. Chemical vapor deposition (CVD) has been recently explored for the synthesis of bilayer graphene but usually with limited coverage and a mixture of AB and randomly stacked structures. Herein we report a rational approach to produce large-area high quality AB stacked bilayer graphene. We show that the self-limiting effect of graphene growth on Cu foil can be broken by using a high H2/CH4 ratio in a low pressure CVD process to enable the continued growth of bilayer graphene. A high temperature and low pressure nucleation step is found to be critical for the formation of bilayer graphene nuclei with high AB stacking ratio. A rational design of a two-step CVD process is developed for the growth of bilayer graphene with high AB stacking ratio (up to 90 %) and high coverage (up to 99 %). The electrical transport studies demonstrated that devices made of the as-grown bilayer graphene exhibit typical characteristics of AB stacked bilayer graphene with the highest carrier mobility exceeding 4,000 cm2/V·s at room temperature, comparable to that of the exfoliated bilayer graphene. PMID:22906199

  14. Characteristics of Cry1Ab Protein from Bioinsecticides and Insect Resistant GM Crops

    Directory of Open Access Journals (Sweden)

    Żmijewska Ewelina

    2016-06-01

    Full Text Available Biological insecticides are an effective method used in plant protection. One of the most widely used active substances in biological insecticides is Cry1Ab protein, which is toxic for lepidopteran insects. This protein is produced during bacterial sporulation by Bacillus thuringiensis. Other sources of Cry1Ab protein are genetically modified plants (GM with expression of cry1Ab gene. Cry1Ab protein in both bioinsecticides and GM plants is present in the form of protoxin, which requires activation by enzymatic treatment in the gut of susceptible insects. So far, Cry1Ab mode of action is not fully understood, but there are 3 main concepts describing it. Two of them assume that a toxic protein after binding to receptors in the insect gut penetrates into the cells, causing pore formation in the gut, which leads to the death of the sensitive insect. In the third model Cry1Ab toxic action is a result of toxin-induced chemical processes initiating a cell death pathway. This work describes the structure and mode of action of Cry1Ab protein, present in biological insecticides and genetically modified plants.

  15. Antibacterial properties of Acinetobacter baumannii phage Abp1 endolysin (PlyAB1).

    Science.gov (United States)

    Huang, Guangtao; Shen, Xiaodong; Gong, Yali; Dong, Zhiwei; Zhao, Xia; Shen, Wei; Wang, Jing; Hu, Fuquan; Peng, Yizhi

    2014-12-12

    Acinetobacter baumannii has emerged as one of the most important hospital-acquired pathogens in the world, because of its resistance to almost all available antibiotic drugs. Endolysins from phages are attracting increasing interest as potential antimicrobial agents, especially for drug-resistant bacteria. We previously isolated and characterized Abp1, a virulent phage targeting the multidrug-resistant A. baumannii strain, AB1. To evaluate the antimicrobial potential of endolysin from the Abp1 phage, the endolysin gene plyAB1 was cloned and over-expressed in Escherichia coli, and the lytic activity of the recombinant protein (PlyAB1) was tested by turbidity assessment and bacteria counting assays. PlyAB1 exhibits a marked lytic activity against A. baumannii AB1, as shown by a decrease in the number of live bacteria following treatment with the enzyme. Moreover, PlyAB1 displayed a highly specific lytic effect against all of the 48 hospital-derived pandrug-resistant A. baumannii isolates that were tested. These isolates were shown to belong to different ST clones by multilocus sequence typing. The results presented here show that PlyAB1 has potential as an antibiotic against drug-resistant A. baumannii.

  16. A comparison of trunk muscle activation: Ab Circle vs. traditional modalities.

    Science.gov (United States)

    Willardson, Jeffrey M; Behm, David G; Huang, Stacey Y; Rehg, Maranda D; Kattenbraker, Mark S; Fontana, Fabio E

    2010-12-01

    The purpose of this study was to compare the activation of the rectus abdominis (RA), external oblique abdominis (EO), lower abdominal stabilizers (LASs), and lumbar erector spinae (LES) during performance of 3 traditional trunk exercises vs. exercise on the Ab Circle device. Surface electromyography was used to assess 12 subjects (6 men, 6 women) for 6 exercise conditions, including: abdominal crunch, side bridge, quadruped, and Ab Circle levels 1-3. For the RA, the abdominal crunch elicited significantly greater activity vs. the Ab Circle level 1, and the side bridge elicited significantly greater activity vs. the Ab Circle levels 1 and 2. For the EO, the side bridge elicited significantly greater activity vs. the quadruped. No significant differences were noted between conditions for the LASs. For the LES, the side bridge and quadruped elicited significantly greater activity vs. the abdominal crunch. The results of this study indicate that the anterior, posterior, and lateral trunk musculature can be activated to similar or even greater levels by performing the 3 traditional trunk exercises vs. the Ab Circle. This was particularly evident for the side bridge exercise, which elicited significantly greater activity of the RA vs. the Ab Circle levels 1 and 2, and elicited similar activity of the EO, LASs, and LES at all 3 Ab Circle levels.

  17. Numerical evaluation of ABS parts fabricated by fused deposition modeling and vapor smoothing

    Directory of Open Access Journals (Sweden)

    Sung-Uk Zhang

    2017-12-01

    Full Text Available The automotive industry has focused to use polymer materials in order to increase energy efficiency. So, the industry pays attention to use 3D printing technologies using several polymers. Among several 3D printer technologies, fused deposition modeling (FDM is one of the popular 3D printing technologies due to an inexpensive extrusion machine and multi-material printing. FDM could use thermoplastics such as ABS, PLA, ULTEM so on. However, it has a problem related to the post-processing because FDM has relatively poor layer resolution. In this study, the mechanical properties of ABS parts fabricated by FDM were measured. The ABS parts were divided into one with vapor smoothing process and the other without the vapor smoothing process which is one of the post-processing methods. Using dynamic mechanical analysis (DMA and dilatometer, temperature-dependent storage modulus and CTE for ABS specimens were measured. Based on the measured thermo-mechanical properties of ABS parts, finite element analysis was performed for an automotive bumper made of ABS. Moreover, response surface methodology was applied to study relationships among design parameters of thickness of the bumper, ambient temperature, and application of the vapor smoothing process. In result, a design guideline for a ABS product could be provided without time-consuming experiments

  18. 40 CFR 174.529 - Bacillus thuringiensis modified Cry1Ab protein as identified under OECD Unique Identifier SYN...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Bacillus thuringiensis modified Cry1Ab... Tolerance Exemptions § 174.529 Bacillus thuringiensis modified Cry1Ab protein as identified under OECD... Bacillus thuringiensis modified Cry1Ab protein as identified under OECD Unique Identifier SYN-IR67B-1 are...

  19. Cationization increases brain distribution of an amyloid-beta protofibril selective F(ab')2 fragment

    OpenAIRE

    Syvänen, Stina; Edén, Desireé; Sehlin, Dag

    2017-01-01

    Antibodies and fragments thereof are, because of high selectivity for their targets, considered as potential therapeutics and biomarkers for several neurological disorders. However, due to their large molecular size, antibodies/fragments do not easily penetrate into the brain. The aim of the present study was to improve the brain distribution via adsorptive-mediated transcytosis of an amyloid-beta (A beta) protofibril selective F(ab')2 fragment (F(ab')2-h158). F(ab')2-h158 was cationized to d...

  20. Hydrothermal Synthesis of Bi2S3 Nanostructures and ABS-Based Polymeric Nanocomposite

    Directory of Open Access Journals (Sweden)

    D. Ghanbari

    2014-04-01

    Full Text Available Bismuth sulfide nano-rods and nano-flowers were synthesized via a hydrothermal reaction at a relatively low temperature. Thioglycolic acid is used as sulfur source and capping agent simultaneously. Bi2S3 nanostructures were then added to acrylonitrile-butadiene-styrene (ABS copolymer. The thermal stability behavior of ABS filled with bismuth sulfide nano-rods were investigated by thermogravimetric analysis (TGA. Nanostructures were characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM and atomic force microscopy (AFM. The flame retardancy behavior of ABS-Bi2S3 was studied by UL-94 analysis.

  1. Hospital antibiotic management in Hungary--results of the ABS maturity survey of the ABS International group.

    Science.gov (United States)

    Ternak, Gabor; Almasi, Istvan; Rakoczi, Eva

    2008-01-01

    The prudent use of antibiotics is considered a very important issue in hospitals throughout Europe. The project ABS International developed a questionnaire to survey antibiotic-related structures and services in the hospitals of participating countries. This article describes the situation in Hungary. Questionnaires were sent to all the hospitals in Hungary, which numbered 182 at the time of the survey. A total of 68 hospitals, accounting for 37.4% of all hospitals, returned the answered questionnaires. These 68 hospitals accounted for 52.4% of the hospital beds available in Hungary at the time of the survey. The answers were stratified according to the function and position of the hospitals and analyzed by calculating means, medians and standard deviations of various parameters. The cumulative maturity figure for Hungary was 3.42+/-0.55. The lowest cumulative figures were found in chronic-care hospitals and the highest in the university hospitals. Significant differences were found in the availability of diagnostic services. The level of control of antibiotic consumption was similar between hospitals. The availability of bedside microbiological tests, such as legionella antigen detection, was rated as poor. Resources dedicated for antibiotic officers were very minor. Antibiotic stewardship cannot be conducted without appropriate resources (time, financing) provided by hospital management or the authorities. The technical background (microbiology, organizations, etc.) on which to build is already available in Hungarian hospitals.

  2. Hospital antibiotic management in Slovenia--results of the ABS maturity survey of the ABS International group.

    Science.gov (United States)

    Cizman, Milan; Bajec, Tom; Sibanc, Branko; Pal, Emil; Gorisek, Jelka Rebersek; Remec, Tatjana; Stefancic, Metka; Martincic, Tatjana; Najdenov, Brigita; Strancar, Katja; Salemovic, Danilo; Bogovic, Metka; Ovnic, Alenka

    2008-01-01

    The ever-increasing resistance to antibiotics is a serious worldwide problem. Antibiotic strategies for appropriate use of antimicrobials in hospitals are not well defined. A questionnaire on "ABS maturity of hospitals" was the basis of an analysis as a part of an EU project. This questionnaire was sent to 12 hospitals in Slovenia including 11 general hospitals and one university hospital. All 12 hospitals returned the questionnaires. Maturity of antibiotic strategies were considered moderate (3.74). Antibiotic consumption had the highest maturity ratio (4.44), followed by diagnostics (3.96), antibiotic-related relationships (3.58), antibiotic-related personnel development (3.44) and antibiotic-related organization (3.36). The availability of data on antibiotic consumption had the highest ranking; designation of and time resources for antibiotic officers were ranked lowest. In Slovenia the maturity of antibiotic strategies in general hospitals and in one university hospital is moderate. The data provide a basis for further development of antibiotic-related issues in hospitals.

  3. Efficient conformational space exploration in ab initio protein folding simulation.

    Science.gov (United States)

    Ullah, Ahammed; Ahmed, Nasif; Pappu, Subrata Dey; Shatabda, Swakkhar; Ullah, A Z M Dayem; Rahman, M Sohel

    2015-08-01

    Ab initio protein folding simulation largely depends on knowledge-based energy functions that are derived from known protein structures using statistical methods. These knowledge-based energy functions provide us with a good approximation of real protein energetics. However, these energy functions are not very informative for search algorithms and fail to distinguish the types of amino acid interactions that contribute largely to the energy function from those that do not. As a result, search algorithms frequently get trapped into the local minima. On the other hand, the hydrophobic-polar (HP) model considers hydrophobic interactions only. The simplified nature of HP energy function makes it limited only to a low-resolution model. In this paper, we present a strategy to derive a non-uniform scaled version of the real 20×20 pairwise energy function. The non-uniform scaling helps tackle the difficulty faced by a real energy function, whereas the integration of 20×20 pairwise information overcomes the limitations faced by the HP energy function. Here, we have applied a derived energy function with a genetic algorithm on discrete lattices. On a standard set of benchmark protein sequences, our approach significantly outperforms the state-of-the-art methods for similar models. Our approach has been able to explore regions of the conformational space which all the previous methods have failed to explore. Effectiveness of the derived energy function is presented by showing qualitative differences and similarities of the sampled structures to the native structures. Number of objective function evaluation in a single run of the algorithm is used as a comparison metric to demonstrate efficiency.

  4. Machine Learning Force Field Parameters from Ab Initio Data

    Energy Technology Data Exchange (ETDEWEB)

    Li, Ying [Argonne; Li, Hui [Department; Pickard, Frank C. [Laboratory; Narayanan, Badri [Center; Sen, Fatih G. [Center; Chan, Maria K. Y. [Center; Computational; Sankaranarayanan, Subramanian K. R. S. [Center; Computational; Brooks, Bernard R. [Laboratory; Roux, Benoît [Department; Center; Computational

    2017-08-11

    Machine learning (ML) techniques with the genetic algorithm (GA) have been applied to determine a polarizable force field parameters using only ab initio data from quantum mechanics (QM) calculations of molecular clusters at the MP2/6-31G(d,p), DFMP2(fc)/jul-cc-pVDZ, and DFMP2(fc)/jul-cc-pVTZ levels to predict experimental condensed phase properties (i.e., density and heat of vaporization). The performance of this ML/GA approach is demonstrated on 4943 dimer electrostatic potentials and 1250 cluster interaction energies for methanol. Excellent agreement between the training data set from QM calculations and the optimized force field model was achieved. The results were further improved by introducing an offset factor during the machine learning process to compensate for the discrepancy between the QM calculated energy and the energy reproduced by optimized force field, while maintaining the local “shape” of the QM energy surface. Throughout the machine learning process, experimental observables were not involved in the objective function, but were only used for model validation. The best model, optimized from the QM data at the DFMP2(fc)/jul-cc-pVTZ level, appears to perform even better than the original AMOEBA force field (amoeba09.prm), which was optimized empirically to match liquid properties. The present effort shows the possibility of using machine learning techniques to develop descriptive polarizable force field using only QM data. The ML/GA strategy to optimize force fields parameters described here could easily be extended to other molecular systems.

  5. Cosmic-ray modulation: an ab initio approach

    International Nuclear Information System (INIS)

    Engelbrecht, N.E.; Burger, R.A.

    2014-01-01

    A better understanding of cosmic-ray modulation in the heliosphere can only be gained through a proper understanding of the effects of turbulence on the diffusion and drift of cosmic rays. We present an ab initio model for cosmic-ray modulation, incorporating for the first time the results yielded by a two-component turbulence transport model. This model is solved for periods of minimum solar activity, utilizing boundary values chosen so that model results are in fair to good agreement with spacecraft observations of turbulence quantities, not only in the solar ecliptic plane but also along the out-of-ecliptic trajectory of the Ulysses spacecraft. These results are employed as inputs for modelled slab and 2D turbulence energy spectra. The latter spectrum is chosen based on physical considerations, with a drop-off at the very lowest wavenumbers commencing at the 2D outerscale. There currently exist no models or observations for this quantity, and it is the only free parameter in this study. The modelled turbulence spectra are used as inputs for parallel mean free path expressions based on those derived from quasi-linear theory and perpendicular mean free paths from extended nonlinear guiding center theory. Furthermore, the effects of turbulence on cosmic-ray drifts are modelled in a self-consistent way, employing a recently developed model for drift along the wavy current sheet. The resulting diffusion coefficients and drift expressions are applied to the study of galactic cosmic-ray protons and antiprotons using a three dimensional, steady-state cosmic-ray modulation code, and sample solutions in fair agreement with multiple spacecraft observations are presented. (author)

  6. Cosmic-ray modulation: an ab initio approach

    Energy Technology Data Exchange (ETDEWEB)

    Engelbrecht, N.E.; Burger, R.A., E-mail: 12580996@nwu.ac.za [Center for Space Research, North-West University, Potchefstroom (South Africa)

    2014-07-01

    A better understanding of cosmic-ray modulation in the heliosphere can only be gained through a proper understanding of the effects of turbulence on the diffusion and drift of cosmic rays. We present an ab initio model for cosmic-ray modulation, incorporating for the first time the results yielded by a two-component turbulence transport model. This model is solved for periods of minimum solar activity, utilizing boundary values chosen so that model results are in fair to good agreement with spacecraft observations of turbulence quantities, not only in the solar ecliptic plane but also along the out-of-ecliptic trajectory of the Ulysses spacecraft. These results are employed as inputs for modelled slab and 2D turbulence energy spectra. The latter spectrum is chosen based on physical considerations, with a drop-off at the very lowest wavenumbers commencing at the 2D outerscale. There currently exist no models or observations for this quantity, and it is the only free parameter in this study. The modelled turbulence spectra are used as inputs for parallel mean free path expressions based on those derived from quasi-linear theory and perpendicular mean free paths from extended nonlinear guiding center theory. Furthermore, the effects of turbulence on cosmic-ray drifts are modelled in a self-consistent way, employing a recently developed model for drift along the wavy current sheet. The resulting diffusion coefficients and drift expressions are applied to the study of galactic cosmic-ray protons and antiprotons using a three dimensional, steady-state cosmic-ray modulation code, and sample solutions in fair agreement with multiple spacecraft observations are presented. (author)

  7. AN AB INITIO MODEL FOR COSMIC-RAY MODULATION

    Energy Technology Data Exchange (ETDEWEB)

    Engelbrecht, N. E.; Burger, R. A. [Center for Space Research, North-West University, Potchefstroom 2520 (South Africa)

    2013-07-20

    A proper understanding of the effects of turbulence on the diffusion and drift of cosmic rays (CRs) is of vital importance for a better understanding of CR modulation in the heliosphere. This study presents an ab initio model for CR modulation, incorporating for the first time the results yielded by a two-component turbulence transport model. This model is solved for solar minimum heliospheric conditions, utilizing boundary values chosen so that model results are in reasonable agreement with spacecraft observations of turbulence quantities in the solar ecliptic plane and along the out-of-ecliptic trajectory of the Ulysses spacecraft. These results are employed as inputs for modeled slab and two-dimensional (2D) turbulence energy spectra. The modeled 2D spectrum is chosen based on physical considerations, with a drop-off at the very lowest wavenumbers. There currently exist no models or observations for the wavenumber where this drop-off occurs, and it is considered to be the only free parameter in this study. The modeled spectra are used as inputs for parallel mean free path expressions based on those derived from quasi-linear theory and perpendicular mean free paths from extended nonlinear guiding center theory. Furthermore, the effects of turbulence on CR drifts are modeled in a self-consistent way, also employing a recently developed model for wavy current sheet drift. The resulting diffusion and drift coefficients are applied to the study of galactic CR protons and antiprotons using a 3D, steady-state CR modulation code, and sample solutions in fair to good agreement with multiple spacecraft observations are presented.

  8. Lithium Insertion In Silicon Nanowires: An ab Initio Study

    KAUST Repository

    Zhang, Qianfan

    2010-09-08

    The ultrahigh specific lithium ion storage capacity of Si nanowires (SiNWs) has been demonstrated recently and has opened up exciting opportunities for energy storage. However, a systematic theoretical study on lithium insertion in SiNWs remains a challenge, and as a result, understanding of the fundamental interaction and microscopic dynamics during lithium insertion is still lacking. This paper focuses on the study of single Li atom insertion into SiNWs with different sizes and axis orientations by using full ab initio calculations. We show that the binding energy of interstitial Li increases as the SiNW diameter grows. The binding energies at different insertion sites, which can be classified as surface, intermediate, and core sites, are quite different. We find that surface sites are energetically the most favorable insertion positions and that intermediate sites are the most unfavorable insertion positions. Compared with the other growth directions, the [110] SiNWs with different diameters always present the highest binding energies on various insertion locations, which indicates that [110] SiNWs are more favorable by Li doping. Furthermore, we study Li diffusion inside SiNWs. The results show that the Li surface diffusion has a much higher chance to occur than the surface to core diffusion, which is consistent with the experimental observation that the Li insertion in SiNWs is layer by layer from surface to inner region. After overcoming a large barrier crossing surface-to-intermediate region, the diffusion toward center has a higher possibility to occur than the inverse process. © 2010 American Chemical Society.

  9. Adjuvant Ab Interno Tumor Treatment After Proton Beam Irradiation.

    Science.gov (United States)

    Seibel, Ira; Riechardt, Aline I; Heufelder, Jens; Cordini, Dino; Joussen, Antonia M

    2017-06-01

    This study was performed to show long-term outcomes concerning globe preservation in uveal melanoma patients after proton beam therapy with the main focus on outcomes according to different adjuvant ab interno surgical procedures. Retrospective cohort study. All patients treated with primary proton beam therapy for choroidal or ciliary body melanoma between June 1998 and June 2015 were included. A total of 2499 patients underwent primary proton beam therapy, with local tumor control and globe preservation rates of 95.9% and 94.8% after 5 years, respectively. A total of 110 (4.4%) patients required secondary enucleation. Unresponsive neovascular glaucoma was the leading cause of secondary enucleation in 78 of the 2499 patients (3.1%). The 5-year enucleation-free survival rate was 94.8% in the endoresection group, 94.3% in the endodrainage group, and 93.5% in the comparator group. The log-rank test showed P = .014 (comparator group vs endoresection group) and P = .06 (comparator group vs endodrainage-vitrectomy group). Patients treated with endoresection or endodrainage-vitrectomy developed less radiation retinopathy (30.5% and 37.4% after 5 years, P = .001 and P = .048 [Kaplan-Meier], respectively) and less neovascular glaucoma (11.6% and 21.3% after 5 years, P = .001 and P = .01 [Kaplan-Meier], respectively) compared with the comparator group (52.3% radiation retinopathy and 57.8% neovascular glaucoma after 5 years). This study suggests that in larger tumors the enucleation and neovascular glaucoma rates might be reduced by adjuvant surgical procedures. Although endoresection is the most promising adjuvant treatment option, the endodrainage-vitrectomy is recommended in patients who are ineligible for endoresection. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. TH-AB-BRB-02: ET-Reloaded

    International Nuclear Information System (INIS)

    Wu, Q.

    2016-01-01

    CA183390, NIH R01CA188300, Varian Medical Systems V. Yu, Varian Medical Systems, AAPM Summer Undergraduate Fellowship, NSF graduate fellowship S. Nill, Elekta AB. Cancer Research UK under Programme C33589/A19727, NIHR Biomedical Research Centre at The Royal Marsden and The Institute of Cancer Research.

  11. TH-AB-BRB-03: 4n Radiotherapy

    International Nuclear Information System (INIS)

    Sheng, K.

    2016-01-01

    CA183390, NIH R01CA188300, Varian Medical Systems V. Yu, Varian Medical Systems, AAPM Summer Undergraduate Fellowship, NSF graduate fellowship S. Nill, Elekta AB. Cancer Research UK under Programme C33589/A19727, NIHR Biomedical Research Centre at The Royal Marsden and The Institute of Cancer Research.

  12. Optical properties of highly compressed polystyrene: An ab initio study

    Science.gov (United States)

    Hu, S. X.; Collins, L. A.; Colgan, J. P.; Goncharov, V. N.; Kilcrease, D. P.

    2017-10-01

    Using all-electron density functional theory, we have performed an ab initio study on x-ray absorption spectra of highly compressed polystyrene (CH). We found that the K -edge shifts in strongly coupled, degenerate polystyrene cannot be explained by existing continuum-lowering models adopted in traditional plasma physics. To gain insights into the K -edge shift in warm, dense CH, we have developed a model designated as "single mixture in a box" (SMIAB), which incorporates both the lowering of the continuum and the rising of the Fermi surface resulting from high compression. This simple SMIAB model correctly predicts the K -edge shift of carbon in highly compressed CH in good agreement with results from quantum molecular dynamics (QMD) calculations. Traditional opacity models failed to give the proper K -edge shifts as the CH density increased. Based on QMD calculations, we have established a first-principles opacity table (FPOT) for CH in a wide range of densities and temperatures [ρ =0.1 -100 g /c m3 and T =2000 -1 000 000 K ]. The FPOT gives much higher Rosseland mean opacity compared to the cold-opacity-patched astrophysics opacity table for warm, dense CH and favorably compares to the newly improved Los Alamos atomic model for moderately compressed CH (ρCH≤10 g /c m3 ), but remains a factor of 2 to 3 higher at extremely high densities (ρCH≥50 g /c m3 ). We anticipate the established FPOT of CH will find important applications to reliable designs of high-energy-density experiments. Moreover, the understanding of K -edge shifting revealed in this study could provide guides for improving the traditional opacity models to properly handle the strongly coupled and degenerate conditions.

  13. Rapid Solidification of AB{sub 5} Hydrogen Storage Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gulbrandsen-Dahl, Sverre

    2002-01-01

    This doctoral thesis is concerned with rapid solidification of AB{sub 5} materials suitable for electrochemical hydrogen storage. The primary objective of the work has been to characterise the microstructure and crystal structure of the produced AB{sub 5} materials as a function of the process parameters, e.g. the cooling rate during rapid solidification, the determination of which has been paid special attention to. The thesis is divided into 6 parts, of which Part I is a literature review, starting with a short presentation of energy storage alternatives. Then a general review of metal hydrides and their utilisation as energy carriers is presented. This part also includes more detailed descriptions of the crystal structure, the chemical composition and the hydrogen storage properties of AB{sub 5} materials. Furthermore, a description of the chill-block melt spinning process and the gas atomisation process is given. In Part II of the thesis a digital photo calorimetric technique has been developed and applied for obtaining in situ temperature measurements during chill-block melt spinning of a Mm(NiCoMnA1){sub 5} hydride forming alloy (Mm = Mischmetal of rare earths). Compared with conventional colour transmission temperature measurements, this technique offers a special advantage in terms of a high temperature resolutional and positional accuracy, which under the prevailing experimental conditions were found to be {+-}29 K and {+-} 0.1 mm, respectively. Moreover, it is shown that the cooling rate in solid state is approximately 2.5 times higher than that observed during solidification, indicating that the solid ribbon stayed in intimate contact with the wheel surface down to very low metal temperatures before the bond was broken. During this contact period the cooling regime shifted from near ideal in the melt puddle to near Newtonian towards the end, when the heat transfer from the solid ribbon to the wheel became the rate controlling step. In Part III of the

  14. A cross-metathesis approach to the stereocontrolled synthesis of the AB ring segment of ciguatoxin

    OpenAIRE

    Kadota, Isao; Abe, Takashi; Uni, Miyuki; Takamura, Hiroyoshi; Yamamoto, Yoshinori

    2008-01-01

    Synthesis of the AB ring segments of ciguatoxin is described. The present synthesis includes a Lewis acid mediated cyclization of allylstannane with aldehyde, cross-metathesis reaction introducing the side chain, and Grieco-Nishizawa dehydration on the A ring.

  15. Ab initio Molecular Orbital Studies of the Vibrational Spectra of some ...

    African Journals Online (AJOL)

    Ab initio Molecular Orbital Studies of the Vibrational Spectra of some van der Waals Complexes. Part 4. Complexes of Sulphur Dioxide with Carbon Dioxide, Carbonyl Sulphide, Carbon Disulphide and Nitrous Oxide.

  16. Domino Wittig Diels-Alder reaction: An expeditious entry into the AB ring system of furanosesquiterpenes

    Digital Repository Service at National Institute of Oceanography (India)

    Patre, R.E.; Gawas, S.; Sen, S.; Parameswaran, P.S.; Tilve, S.G.

    A domino Wittig Diels - Alder reaction has been employed in delineating a short and flexible synthetic stratagem for ready access to the AB ring system and the tricyclic framework of furanosesquiterpenes, such as the bioactive natural products...

  17. The end of a myth – Bt (Cry1Ab maize does not harm green lacewings

    Directory of Open Access Journals (Sweden)

    Joerg eRomeis

    2014-08-01

    Full Text Available A concern with Bt-transgenic insect-resistant plants is their potential to harm non-target organisms. Early studies reported that Cry1Ab-producing Bt maize and purified Cry1Ab harmed larvae of the green lacewing, Chrysoperla carnea. Although these effects could not be confirmed in subsequent studies, some authors still refer to them as evidence that Bt maize harms beneficial species. We provide a comprehensive review of the studies evaluating the effects of Bt (Cry1Ab maize on C. carnea. The evidence indicates that this important predator is not affected by Bt maize or by the produced Cry1Ab protein. We discuss how conceptual models can assist environmental risk assessments, and we emphasize the importance of robust and reproducible studies.

  18. The end of a myth-Bt (Cry1Ab) maize does not harm green lacewings.

    Science.gov (United States)

    Romeis, Jörg; Meissle, Michael; Naranjo, Steven E; Li, Yunhe; Bigler, Franz

    2014-01-01

    A concern with Bt-transgenic insect-resistant plants is their potential to harm non-target organisms. Early studies reported that Cry1Ab-producing Bt maize and purified Cry1Ab harmed larvae of the green lacewing, Chrysoperla carnea. Although these effects could not be confirmed in subsequent studies, some authors still refer to them as evidence that Bt maize harms beneficial species. We provide a comprehensive review of the studies evaluating the effects of Bt (Cry1Ab) maize on C. carnea. The evidence indicates that this important predator is not affected by Bt maize or by the produced Cry1Ab protein. We discuss how conceptual models can assist environmental risk assessments, and we emphasize the importance of robust and reproducible studies.

  19. The end of a myth—Bt (Cry1Ab) maize does not harm green lacewings

    Science.gov (United States)

    Romeis, Jörg; Meissle, Michael; Naranjo, Steven E.; Li, Yunhe; Bigler, Franz

    2014-01-01

    A concern with Bt-transgenic insect-resistant plants is their potential to harm non-target organisms. Early studies reported that Cry1Ab-producing Bt maize and purified Cry1Ab harmed larvae of the green lacewing, Chrysoperla carnea. Although these effects could not be confirmed in subsequent studies, some authors still refer to them as evidence that Bt maize harms beneficial species. We provide a comprehensive review of the studies evaluating the effects of Bt (Cry1Ab) maize on C. carnea. The evidence indicates that this important predator is not affected by Bt maize or by the produced Cry1Ab protein. We discuss how conceptual models can assist environmental risk assessments, and we emphasize the importance of robust and reproducible studies. PMID:25161661

  20. Remodeling of the AB site of rat parvalbumin and oncomodulin into a canonical EF-hand

    DEFF Research Database (Denmark)

    Cox, J A; Durussel, I; Scott, D J

    1999-01-01

    Parvalbumin (PV) and the homologous protein oncomodulin (OM) contain three EF-hand motifs, but the first site (AB) cannot bind Ca2+. Here we aimed to recreate the putative ancestral proteins [D19-28E]PV and [D19-28E]OM by replacing the 10-residue-long nonfunctional loop in the AB site by a 12...... fluorescence. The metal-free oncomodulins are partially unfolded and seem not to possess a hydrophobic core. Our data indicate that AB-remodeled parvalbumin has the potential to regulate cell functions, whereas it is unlikely that [D19-28E]OM can play a regulatory role in vivo. The predicted evolution...... of the AB site from a canonical to an abortive EF-hand may have been dictated by the need for stronger interaction with Mg2+ and Ca2+, and a high conformational stability of the metal-free forms....

  1. Ab initio study of gas phase and water-assisted tautomerization of ...

    Indian Academy of Sciences (India)

    WINTEC

    Ab initio study of gas phase and water-assisted tautomerization of maleimide and formamide. 623. Figure 4. Keto to enol conversion of (a) maleimide and (b) formamide in gas phase. (c) maleimide and (d) forma- mide with water.

  2. Application of Cry1Ab/Ac Bt strip for screening of resistance for ...

    African Journals Online (AJOL)

    ABU ZAYD

    2013-10-02

    Envirologix, 2008). ... gene, while the appearance of only the top (control) line indicates a negative response. Cry1Ab gene .... gene was found to be in Mendelian fashion in all the six cowpea crosses, the results indicate.

  3. Isolation and Characterization of a Virulent Bacteriophage AB1 of Acinetobacter baumannii

    Directory of Open Access Journals (Sweden)

    Jia Shiru

    2010-04-01

    Full Text Available Abstract Background Acinetobacter baumannii is an emerging nosocomial pathogen worldwide with increasing prevalence of multi-drug and pan-drug resistance. A. baumannii exists widely in natural environment, especially in health care settings, and has been shown difficult to be eradicated. Bacteriophages are often considered alternative agent for controlling bacterial infection and contamination. In this study, we described the isolation and characterization of one virulent bacteriophage AB1 capable of specifically infecting A. baumannii. Results A virulent bacteriophage AB1, specific for infecting a clinical strain A. baumannii KD311, was first isolated from marine sediment sample. Restriction analysis indicated that phage AB1 was a dsDNA virus with an approximate genome size of 45.2 kb to 46.9 kb. Transmission electron microscopy showed that phage AB1 had an icosahedral head with a non-contractile tail and collar or whisker structures, and might be tentatively classified as a member of the Siphoviridae family. Proteomic pattern of phage AB1, generated by SDS-PAGE using purified phage particles, revealed five major bands and six minor bands with molecular weight ranging from 14 to 80 kilo-dalton. Also determined was the adsorption rate of phage AB1 to the host bacterium, which was significantly enhanced by addition of 10 mM CaCl2. In a single step growth test, phage AB1 was shown having a latent period of 18 minutes and a burst size of 409. Moreover, pH and thermal stability of phage AB1 were also investigated. At the optimal pH 6.0, 73.2% of phages survived after 60 min incubation at 50°C. When phage AB1 was used to infect four additional clinical isolates of A. baumannii, one clinical isolate of Stenotrophomonas maltophilia, and Pseudomonas aeruginosa lab strains PAK and PAO1, none of the tested strains was found susceptible, indicating a relatively narrow host range for phage AB1. Conclusion Phage AB1 was capable of eliciting efficient lysis

  4. Radioiodine Labeled Anti-MIF McAb: A Potential Agent for Inflammation Imaging

    Directory of Open Access Journals (Sweden)

    Chao Zhang

    2007-01-01

    Full Text Available Macrophage migration inhibitory factor (MIF is a proinflammatory cytokine that may play a role in the pathogenesis of inflammation. Radiolabeled anti-MIF McAb can be used to detect in vivo inflammatory changes. The objective of this study was to investigate in vivo biology of radioiodinated anti-MIF McAb using the inflammation model mice. Anti-MIF McAb was radioiodinated with NaI125 by Iodogen method. Animal models were induced in the mice by intramuscular injection of S. aureus, E. coli, and turpentine oil. The biodistribution studies with radioiodinated anti-MIF McAb were performed on inflammation mice. The relationship between inflammatory lesions and anti-MIF McAb binding was investigated using the percent of injected dose per gram tissue (% ID/g of tissue samples and whole-body autoradiography. The radioactivity of I125-anti-MIF McAb in the inflammatory tissue increased gradually for three inflammation models. The highest uptake was found in S. aureus group and the lowest was in E. coli group. The uptake in turpentine oil group was average. Whole-body autoradiography showed that all inflammation foci could be visualized clearly from 24 hours after injection, but 48 hours images were much clearer in accordance with the high T/NT ratio. These results demonstrate the ability of radioiodinated anti-MIF McAb to measure in vivo inflammatory events represented by high expression of MIF and suggests that radiolabeled anti-MIF McAb warrants further investigation as a potential inflammation-seeking agent for imaging to detect inflammatory disorders.

  5. URHEILUN SPONSOROINTI JA LUMILAUTAILU : FOREX Bank Ab:n mahdollisuudet lumilautailun sponsorointiin

    OpenAIRE

    Autio, Suvi

    2011-01-01

    FOREX Bank Ab on Pohjoismaiden suurin valuutanvaihtoon erikoistunut yritys. FOREXin liikeideana on tarjota maasta lähteville ja maahan saapuville matkailijoille valuuttaa joustaviin kellonaikoihin, keskeisillä paikoilla, sekä kilpailukykyisillä kursseilla ja toimitusmaksuilla. Opinnäytetyön aiheena oli urheilun sponsorointi ja lumilautailu. Opinnäytetyön tarkoituksena oli selvittää FOREX Bank Ab:n sponsoroinnin nykytilaa ja lumilautailun sopivuutta FOREXin sponsorointikohteeksi. Teoriaosu...

  6. Ab initio Quantum Chemical and Experimental Reaction Kinetics Studies in the Combustion of Bipropellants

    Science.gov (United States)

    2017-03-24

    NUMBER (Include area code) 24 March 2017 Briefing Charts 01 March 2017 - 31 March 2017 Ab initio Quantum Chemical and Experimental Reaction Kinetics...Laboratory AFRL/RQRS 1 Ara Road Edwards AFB, CA 93524 *Email: ghanshyam.vaghjiani@us.af.mil Ab initio Quantum Chemical and Experimental Reaction ...Clearance 17161 Zador et al., Prog. Energ. Combust. Sci., 37 371 (2011) Why Quantum Chemical Reaction Kinetics Studies? DISTRIBUTION A: Approved for

  7. An ab initio study of plutonium oxides surfaces; Etude ab initio des surfaces d'oxydes de Pu

    Energy Technology Data Exchange (ETDEWEB)

    Jomard, G.; Bottin, F.; Amadon, B

    2007-07-01

    By means of first-principles calculations, we have studied the atomic structure as well as the thermodynamic stability of various plutonium dioxide surfaces in function of their environment (in terms of oxygen partial pressure and temperature). All these simulations have been performed with the ABINIT code. It is well known that DFT fails to describe correctly plutonium-based materials since 5f electrons in such systems are strongly correlated. In order to go beyond DFT, we have treated PuO{sub 2} and {beta}-Pu{sub 2}O{sub 3} in a DFT+U framework. We show that the couple of parameters (U,J) that works well for pure Pu is also well designed for describing ground state (GS) properties of these two oxides. The major improvement with respect with DFT is that we are able to predict an insulating GS in agreement with experiments. The presence of a gap in the DOS (Density of States) of plutonium oxides should play a significant role in the predicted surface reactivity. However, performing DFT+U calculations on surfaces of plutonium oxide from scratch was too ambitious. That is why we decided, as a first step, to study the stability of the (100), (110) and (111) surfaces of PuO{sub 2} in a DFT-GGA framework. For each of these orientations, we considered various terminations. These ab initio results have been introduced in a thermodynamic model which allows us to predict the relative stability of the different terminations as a function of temperature and oxygen partial pressure (p{sub O{sub 2}}). We conclude that at room temperature and for p{sub O{sub 2}}{approx}10 atm., the polar O{sub 2}-(100) termination is favoured. The stabilization of such a polar stoichiometric surface is surprising and should be confirmed by DFT+U calculations before any final conclusion. (authors)

  8. Optimal immunization cocktails can promote induction of broadly neutralizing Abs against highly mutable pathogens

    Science.gov (United States)

    Shaffer, J. Scott; Moore, Penny L.; Kardar, Mehran; Chakraborty, Arup K.

    2016-01-01

    Strategies to elicit Abs that can neutralize diverse strains of a highly mutable pathogen are likely to result in a potent vaccine. Broadly neutralizing Abs (bnAbs) against HIV have been isolated from patients, proving that the human immune system can evolve them. Using computer simulations and theory, we study immunization with diverse mixtures of variant antigens (Ags). Our results show that particular choices for the number of variant Ags and the mutational distances separating them maximize the probability of inducing bnAbs. The variant Ags represent potentially conflicting selection forces that can frustrate the Darwinian evolutionary process of affinity maturation. An intermediate level of frustration maximizes the chance of evolving bnAbs. A simple model makes vivid the origin of this principle of optimal frustration. Our results, combined with past studies, suggest that an appropriately chosen permutation of immunization with an optimally designed mixture (using the principles that we describe) and sequential immunization with variant Ags that are separated by relatively large mutational distances may best promote the evolution of bnAbs. PMID:27791170

  9. Significant loss of hepatitis A Ab after allogeneic hematopoietic SCT in pediatric patients.

    Science.gov (United States)

    Unal Ince, E; Ertem, M; Ileri, T; Sayili, A; Belgemen, T; Uysal, Z

    2010-01-01

    Loss of specific immunity after hematopoietic SCT (HSCT) is well documented for polio, measles, mumps and tetanus. There are limited studies reporting the loss of Hepatitis A virus immunity and no reports evaluating the effect of donor immunity on Hepatitis A virus (HAV) immunity loss after HSCT. A total of 49 of the 81 patients who received HSCT at the Ankara University Pediatric HSCT Unit from January 1997 to December 2006 had HAV serology tested before HSCT and were evaluated for seroprevalence, and 30 of 49 patients were evaluated for the loss of Ab and for the effect of donor immunity on the loss of HAV Abs. The seroprevalence before HSCT was 75.5%. Loss of Ab was detected in 43.5% (10/23) of the patients. The median time to loss of Ab was 12 months (12-32 months), and 60% of these patients were seronegative at 12 months after HSCT. After HSCT, 46.7% of the patients were seronegative. Loss of Ab was higher in the seronegative donor group (75 vs 26%). The loss of HAV Ab is high after allogeneic HSCT for pediatric patients. Reimmunization should be considered for the continuation of individual and community immunity. Further studies with larger study groups are warranted to clarify the role of donor immunity on the loss of HAV immunity.

  10. Hepatoma-Targeted Radionuclide Immune Albumin Nanospheres: 131I-antiAFPMcAb-GCV-BSA-NPs

    Science.gov (United States)

    Lin, Mei; Huang, Junxing; Zhang, Dongsheng; Jiang, Xingmao; Zhang, Jia; Yu, Hong; Xiao, Yanhong; Shi, Yujuan; Guo, Ting

    2016-01-01

    An effective strategy has been developed for synthesis of radionuclide immune albumin nanospheres (131I-antiAFPMcAb-GCV-BSA-NPs). In vitro as well as in vivo targeting of 131I-antiAFPMcAb-GCV-BSA-NPs to AFP-positive hepatoma was examined. In cultured HepG2 cells, the uptake and retention rates of 131I-antiAFPMcAb-GCV-BSA-NPs were remarkably higher than those of 131I alone. As well, the uptake rate and retention ratios of 131I-antiAFPMcAb-GCV-BSA-NPs in AFP-positive HepG2 cells were also significantly higher than those in AFP-negative HEK293 cells. Compared to 131I alone, 131I-antiAFPMcAb-GCV-BSA-NPs were much more easily taken in and retained by hepatoma tissue, with a much higher T/NT. Due to good drug-loading, high encapsulation ratio, and highly selective affinity for AFP-positive tumors, the 131I-antiAFPMcAb-GCV-BSA-NPs are promising for further effective radiation-gene therapy of hepatoma. PMID:26981334

  11. Hepatoma-Targeted Radionuclide Immune Albumin Nanospheres: (131)I-antiAFPMcAb-GCV-BSA-NPs.

    Science.gov (United States)

    Lin, Mei; Huang, Junxing; Zhang, Dongsheng; Jiang, Xingmao; Zhang, Jia; Yu, Hong; Xiao, Yanhong; Shi, Yujuan; Guo, Ting

    2016-01-01

    An effective strategy has been developed for synthesis of radionuclide immune albumin nanospheres ((131)I-antiAFPMcAb-GCV-BSA-NPs). In vitro as well as in vivo targeting of (131)I-antiAFPMcAb-GCV-BSA-NPs to AFP-positive hepatoma was examined. In cultured HepG2 cells, the uptake and retention rates of (131)I-antiAFPMcAb-GCV-BSA-NPs were remarkably higher than those of (131)I alone. As well, the uptake rate and retention ratios of (131)I-antiAFPMcAb-GCV-BSA-NPs in AFP-positive HepG2 cells were also significantly higher than those in AFP-negative HEK293 cells. Compared to (131)I alone, (131)I-antiAFPMcAb-GCV-BSA-NPs were much more easily taken in and retained by hepatoma tissue, with a much higher T/NT. Due to good drug-loading, high encapsulation ratio, and highly selective affinity for AFP-positive tumors, the (131)I-antiAFPMcAb-GCV-BSA-NPs are promising for further effective radiation-gene therapy of hepatoma.

  12. PptAB Exports Rgg Quorum-Sensing Peptides in Streptococcus.

    Directory of Open Access Journals (Sweden)

    Jennifer C Chang

    Full Text Available A transposon mutagenesis screen designed to identify mutants that were defective in peptide-pheromone signaling of the Rgg2/Rgg3 pathway in Streptococcus pyogenes generated insertions in sixteen loci displaying diminished reporter activity. Fourteen unique transposon insertions were mapped to pptAB, an ABC-type transporter recently described to export sex pheromones of Enterococcus faecalis. Consistent with an idea that PptAB exports signaling peptides, the pheromones known as SHPs (short hydrophobic peptides were no longer detected in cell-free culture supernatants in a generated deletion mutant of pptAB. PptAB exporters are conserved among the Firmicutes, but their function and substrates remain unclear. Therefore, we tested a pptAB mutant generated in Streptococcus mutans and found that while secretion of heterologously expressed SHP peptides required PptAB, secretion of the S. mutans endogenous pheromone XIP (sigX inducing peptide was only partially disrupted, indicating that a secondary secretion pathway for XIP exists.

  13. Studies of the distribution of intrathecally injected 125I-tetanus antitoxin-F(ab')2

    International Nuclear Information System (INIS)

    Hanauske, A.R.

    1981-01-01

    Overall F(ab') 2 and antitetanus-f(ab') 2 - fragments were labelled with 125 I and injected i.th. into normal juvenile cats and adult rats. One group of rats was normal; in the other, unilateral local tetanus had been induced by injection of tetanus toxin into a M. gastrocnemius. The animals were sacrificed 24 h after the i.th. injection, and tissue samples were taken for histoautoradiography. 125 I-antitetanus-F(ab') 2 permeated into the extracellular space of the spinal cord, roots, and ganglia but not into the neuronal intracellular space. 125 I-overall-F(ab') showed identical permeation behaviour. 125 I-antitetanus-F(ab') 2 reacted with tetanus toxin issuing from the motoneurons after i.th. injection, forming an immunocomplex around the motorneurons. The immunocomplex was not formed around pseudo-unipolar ganglian cells in the spinal ganglia even though some of the ganglian cells contained tetanus toxin, and 125 I-antitetanus-F(ab') 2 was present in the extracellular space. As an explanation, it was suggested that tetanus toxin does not permeate into the extracellular space through the membrane of the pseudo-unipolar ganglian cells so that immune reactions will not occur. These findings help to explain the widely divergent results of tetanus therapy by means of i.th. injection of tetanus antitoxin. Recommendations for future therapy measures are derived from the findings. (orig./MG) [de

  14. Evaluation of tumor targeting with radiolabeled F(ab2 fragment of a humanized monoclonal antibody

    Directory of Open Access Journals (Sweden)

    "Babaei MH

    2002-08-01

    Full Text Available Humanized monoclonal antibody U36 and its F(ab'2 fragment, radio labeled with 125I, were tested for tumor localization in nude mice bearing a squamous cell carcinoma xenograft line derived from a head and neck carcinoma. Monoclonal antibody IgG or F(ab'2 fragment were injected in parallel and at days 1, 2 and 3, mice were dissected for determination of isotope biodistribution. IgG as well as F(ab'2 showed highly specific localization in tumor tissue. The mean tumor uptake (n=3 is expressed as the percentage of the injected dose per gram of tumor tissue (%ID/g. %ID/g of IgG was 11.7% at day 1 and decreased to 10.9% at day 3 whereas %ID/g of F(ab'2 was 2.9% at day 1 and decreased on following days. Tumor to blood ratios (T/B at day 1 were 0.86 for IgG and 1.32 for F(ab'2 and reached a maximum at day 3 with values of 4.41 and 1.84 respectively. These findings suggest that the superior tumor to non-tumor ratios in the day of 1 render the F(ab'2 fragment more qualified for specific targeting radioisotopes to tumor xenografts in this exprimental setting.

  15. ABS-SOCI: An Agent-Based Simulator of Student Sociograms

    Directory of Open Access Journals (Sweden)

    Iván García-Magariño

    2017-11-01

    Full Text Available Sociograms can represent the social relations between students. Some kinds of sociograms are more suitable than others for achieving a high academic performance of students. However, for now, at the beginning of an educative period, it is not possible to know for sure how the sociogram of a group of students will be or evolve during a semester or an academic year. In this context, the current approach presents an Agent-Based Simulator (ABS that predicts the sociogram of a group of students taking into consideration their psychological profiles, by evolving an initial sociogram through time. This simulator is referred to as ABS-SOCI (ABS for SOCIograms. For instance, this can be useful for organizing class groups for some subjects of engineering grades, anticipating additional learning assistance or testing some teaching strategies. As experimentation, ABS-SOCI has been executed 100 times for each one of four real scenarios. The results show that ABS-SOCI produces sociograms similar to the real ones considering certain sociometrics. This similarity has been corroborated by statistical binomial tests that check whether there are significant differences between the simulations and the real cases. This experimentation also includes cross-validation and an analysis of sensitivity. ABS-SOCI is free and open-source to (1 ensure the reproducibility of the experiments; (2 to allow practitioners to run simulations; and (3 to allow developers to adapt the simulator for different environments.

  16. Clinical significance of detection of GAD-Ab, ICA and IAA in patients with diabetes mellitus

    International Nuclear Information System (INIS)

    Zhou Jinhong; Liu Zhenzong; Wang Huimin

    2006-01-01

    To explore value of combined detection of glutamic acid decarboxylase antibody(GAD-Ab), islet cell antibody (ICA) and insulin autoantibody (IAA) in patients with diabetes mellitus (DM). Serum GAD-Ab, ICA and IAA were detected by chemiluminescent immunoassay and RIA in 46 of type 1 diabetes mellitus (1 DM), 78 of 2 DM respectively, and in 50 nondiabetic subjects as control group, and analysed according to the positive rates of different groups. Results showed that the positive rate of GAD-Ab was 67.39%, ICA 39.73%, IAA 23.91% in 1 DM,and that of GAD-Ab was 8.97%, ICA 15.39%, IAA 10.26% in 2 DM respectively. The positive rate of combined detection of GAD-Ab, ICA and IAA was 91.30% in patients with 1 DM, and 29.49% which was higher than that in control group (P<0.01). The detection of serum GAD-Ab,ICA and IAA might be regarded as clinical significance for classification, treatment and predict prognosis of DM. (authors)

  17. Cry1Ab protein from Bt transgenic rice does not residue in rhizosphere soil

    International Nuclear Information System (INIS)

    Wang Haiyan; Ye Qingfu; Wang Wei; Wu Licheng; Wu Weixiang

    2006-01-01

    Expression of Cry1Ab protein in Bt transgenic rice (KMD) and its residue in the rhizosphere soil during the whole growth in field, as well as degradation of the protein from KMD straw in five soils under laboratory incubation were studied. The residue of Cry1Ab protein in KMD rhizosphere soil was undetectable (below the limit of 0.5 ng/g air-dried soil). The Cry1Ab protein contents in the shoot and root of KMD were 3.23-8.22 and 0.68-0.89 μg/g (fresh weight), respectively. The half-lives of the Cry1Ab protein in the soils amended with KMD straw (4%, w/w) ranged from 11.5 to 34.3 d. The residence time of the protein varied significantly in a Fluvio-marine yellow loamy soil amended with KMD straw at the rate of 3, 4 and 7%, with half-lives of 9.9, 13.8 and 18 d, respectively. In addition, an extraction method for Cry1Ab protein in soil was developed, with extraction efficiencies of 46.4-82.3%. - Cry1Ab protein was not detected in the rhizosphere soil of field-grown Bt transgenic rice

  18. PptAB Exports Rgg Quorum-Sensing Peptides in Streptococcus.

    Science.gov (United States)

    Chang, Jennifer C; Federle, Michael J

    2016-01-01

    A transposon mutagenesis screen designed to identify mutants that were defective in peptide-pheromone signaling of the Rgg2/Rgg3 pathway in Streptococcus pyogenes generated insertions in sixteen loci displaying diminished reporter activity. Fourteen unique transposon insertions were mapped to pptAB, an ABC-type transporter recently described to export sex pheromones of Enterococcus faecalis. Consistent with an idea that PptAB exports signaling peptides, the pheromones known as SHPs (short hydrophobic peptides) were no longer detected in cell-free culture supernatants in a generated deletion mutant of pptAB. PptAB exporters are conserved among the Firmicutes, but their function and substrates remain unclear. Therefore, we tested a pptAB mutant generated in Streptococcus mutans and found that while secretion of heterologously expressed SHP peptides required PptAB, secretion of the S. mutans endogenous pheromone XIP (sigX inducing peptide) was only partially disrupted, indicating that a secondary secretion pathway for XIP exists.

  19. Complexation of AB+, AB+C, ACB+, and A(B+-stat-C) block copolymer micelles with poly(styrene sulfonate) as models for tunable gene delivery vectors

    Science.gov (United States)

    Laaser, Jennifer; Jiang, Yaming; Lohmann, Elise; Reineke, Theresa; Lodge, Timothy

    We investigate the complexation of poly(styrene sulfonate) with micelles with mixed cationic/hydrophilic coronas as models for tunable gene delivery vectors. The micelles are self-assembled from AB+, AB+C, ACB+, and A(B+-stat-C) block polymer architectures, where the hydrophobic A blocks (poly(styrene)) form the micelle cores, and the cationic B blocks (poly(dimethylamino ethyl methacrylate)) and hydrophilic, nonionic C blocks (poly(poly(ethylene glycol) methyl ether methacrylate)) form the coronas. We find that hydrophilic units do not change the colloidal stability of the complexes, and complexes based on all four micelle architectures form broad, multimodal size distributions. While complexes based on the AB+, AB+C, and ACB+polymer architectures are kinetically trapped at low ionic strength, however, those based on the A(B+-stat-C) architecture rapidly rearrange into single-micelle complexes when the linear polyanion is in excess. This suggests that the randomly-placed hydrophilic units break up the ion pairing between the cationic and anionic chains and promote formation of over-charged complexes. Design of the micelle architecture may thus provide a powerful way control the structure and stability of micelle-polyelectrolyte complexes for gene delivery applications.

  20. Effectiveness of motorcycle antilock braking systems (ABS) in reducing crashes, the first cross-national study.

    Science.gov (United States)

    Rizzi, Matteo; Strandroth, Johan; Kullgren, Anders; Tingvall, Claes; Fildes, Brian

    2015-01-01

    This study set out to evaluate the effectiveness of motorcycle antilock braking systems (ABS) in reducing real-life crashes. Since the European Parliament has voted on legislation making ABS mandatory on all new motorcycles over 125 cc from 2016, the fitment rate in Europe is likely to increase in the coming years. Though previous research has focused on mostly large displacement motorcycles, this study used police reports from Spain (2006-2009), Italy (2009), and Sweden (2003-2012) in order to analyze a wide range of motorcycles, including scooters, and compare countries with different motorcycling habits. The statistical analysis used odds ratio calculations with an induced exposure approach. Previous research found that head-on crashes were the least ABS-affected crash type and was therefore used as the nonsensitive crash type for ABS in these calculations. The same motorcycle models, with and without ABS, were compared and the calculations were carried out for each country separately. Crashes involving only scooters were further analyzed. The effectiveness of motorcycle ABS in reducing injury crashes ranged from 24% (95% confidence interval [CI], 12-36) in Italy to 29% (95% CI, 20-38) in Spain, and 34% (95% CI, 16-52) in Sweden. The reductions in severe and fatal crashes were even greater, at 34% (95% CI, 24-44) in Spain and 42% (95% CI, 23-61) in Sweden. The overall reductions of crashes involving ABS-equipped scooters (at least 250 cc) were 27% (95% CI, 12-42) in Italy and 22% (95% CI, 2-42) in Spain. ABS on scooters with at least a 250 cc engine reduced severe and fatal crashes by 31% (95% CI, 12-50), based on Spanish data alone. At this stage, there is more than sufficient scientific-based evidence to support the implementation of ABS on all motorcycles, even light ones. Further research should aim at understanding the injury mitigating effects of motorcycle ABS, possibly in combination with combined braking systems.

  1. Field Trial Performance of Herculex XTRA (Cry34Ab1/Cry35Ab1) and SmartStax (Cry34Ab1/Cry35Ab1 + Cry3Bb1) Hybrids and Soil Insecticides Against Western and Northern Corn Rootworms (Coleoptera: Chrysomelidae).

    Science.gov (United States)

    Johnson, K D; Campbell, L A; Lepping, M D; Rule, D M

    2017-06-01

    Western corn rootworm, Diabrotica virgifera virgifera LeConte (Coleoptera: Chrysomelidae), and northern corn rootworm, Diabrotica barberi Smith and Lawrence (Coleoptera: Chrysomelidae), are important insect pests in corn, Zea mays L. For more than a decade, growers have been using transgenic plants expressing proteins from the bacterium Bacillus thuringiensis (Bt) to protect corn roots from feeding. In 2011, western corn rootworm populations were reported to have developed resistance to Bt hybrids expressing Cry3Bb1 and later found to be cross-resistant to hybrids expressing mCry3A and eCry3.1Ab. The identification of resistance to Cry3 (Cry3Bb1, mCry3A, and eCry3.1Ab) hybrids led to concerns about durability and efficacy of products with single traits and of products containing a pyramid of a Cry3 protein and the binary Bt proteins Cry34Ab1 and Cry35Ab1. From 2012 to 2014, 43 field trials were conducted across the central United States to estimate root protection provided by plants expressing Cry34Ab1/Cry35Ab1 alone (Herculex RW) or pyramided with Cry3Bb1 (SmartStax). These technologies were evaluated with and without soil-applied insecticides to determine if additional management measures provided benefit where Cry3 performance was reduced. Trials were categorized for analysis based on rootworm damage levels on Cry3-expressing hybrids and rootworm feeding pressure within each trial. Across scenarios, Cry34Ab1/Cry35Ab1 hybrids provided excellent root protection. Pyramided traits provided greater root and yield protection than non-Bt plus a soil-applied insecticide, and only in trials where larval feeding pressure exceeded two nodes of damage did Cry34Ab1/Cry35Ab1 single-trait hybrids and pyramided hybrids show greater root protection from the addition of soil-applied insecticides. © The Authors 2017. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  2. Hospital antibiotic management in Belgium--results of the ABS maturity survey of the ABS International group.

    Science.gov (United States)

    Struelens, Marc J; Costers, Michiel

    2008-01-01

    While debate about optimal organization for hospital antibiotic stewardship programs is ongoing, limited information is available about the implementation of such programs in acute-care institutions. The ABS International project conducted a survey on the implementation and characteristics of hospital antibiotic management programs in several European countries. This paper summarizes the results for Belgium, where a federal program for developing multidisciplinary antibiotic management teams was started in 2002. The survey was conducted in April and May 2007. A questionnaire with 39 items to be scored from 0 (absent) to 5 (fully available) was sent to medical directors and chairs of drugs and therapeutics committees in all acute-care hospitals to measure five dimensions of hospital antibiotic management. The results were analyzed by calculating the mean scores for the various items and topics. Of 120 questionnaires sent, 46 (38%) were completed and returned in time for analysis. The three regions of the country were well represented by the respondents. The mean country maturity score of 3.75 (range 2.15-4.90) indicated that a well developed antibiotic management system was in place in most hospitals. Over 90% of hospitals had key structural resources and tools available for effective stewardship programs. Performance items that scored high were those related to microbiological diagnostics and surveillance of bacterial resistance (4.41), surveillance of antibiotic consumption (4.16) and organization of antibiotic guidance and support by trained antibiotic management officers (3.81). Items that scored lower were professional development of personnel (3.43) and co-ordination with outside healthcare providers (2.95). Hospitals with several years of funding for their antibiotic officer showed higher scores for antibiotic management but not for diagnostics. Antibiotic stewardship programs are well developed in Belgian hospitals, particularly in those which first

  3. Mechanism of inhibition of Shiga-toxigenicEscherichia coliSubAB cytotoxicity by steroids and diacylglycerol analogues.

    Science.gov (United States)

    Yahiro, Kinnosuke; Nagasawa, Sayaka; Ichimura, Kimitoshi; Takeuchi, Hiroki; Ogura, Kohei; Tsutsuki, Hiroyasu; Shimizu, Takeshi; Iyoda, Sunao; Ohnishi, Makoto; Iwase, Hirotaro; Moss, Joel; Noda, Masatoshi

    2018-12-01

    Shiga toxigenic Escherichia coli (STEC) are responsible for a worldwide foodborne disease, which is characterized by severe bloody diarrhea and hemolytic uremic syndrome (HUS). Subtilase cytotoxin (SubAB) is a novel AB 5 toxin, which is produced by Locus for Enterocyte Effacement (LEE)-negative STEC. Cleavage of the BiP protein by SubAB induces endoplasmic reticulum (ER) stress, followed by induction of cytotoxicity in vitro or lethal severe hemorrhagic inflammation in mice. Here we found that steroids and diacylglycerol (DAG) analogues (e.g., bryostatin 1, Ingenol-3-angelate) inhibited SubAB cytotoxicity. In addition, steroid-induced Bcl-xL expression was a key step in the inhibition of SubAB cytotoxicity. Bcl-xL knockdown increased SubAB-induced apoptosis in steroid-treated HeLa cells, whereas SubAB-induced cytotoxicity was suppressed in Bcl-xL overexpressing cells. In contrast, DAG analogues suppressed SubAB activity independent of Bcl-xL expression at early time points. Addition of Shiga toxin 2 (Stx2) with SubAB to cells enhanced cytotoxicity even in the presence of steroids. In contrast, DAG analogues suppressed cytotoxicity seen in the presence of both toxins. Here, we show the mechanism by which steroids and DAG analogues protect cells against SubAB toxin produced by LEE-negative STEC.

  4. The effects of nucleoside analogue prophylactic treatment on HBV activation in HBcAb+ patients undergoing immunosuppressive therapy.

    Science.gov (United States)

    Liu, H-L; Zhao, Z; Yang, H; Liu, F-F; Liu, Q; Luo, Q; Yuan, Q; Chen, L-M; Zeng, A-Z

    2013-09-01

    We investigated the effects of prophylactic nucleoside analogue treatment on HBV activation in patients with antibodies against core antigen (HBcAb+) patients undergoing immunosuppressive therapy. Patients (113), who were HBcAb+, with various autoimmune diseases, undergoing immunosuppressive therapy, were divided into two groups. The control group, not treated with antivirals, and the prophylactic group, treated with antiviral drugs. The two groups were evaluated for changes in serum biochemical marker (alanine aminotransferase ALT), virological marker (HBV DNA) and for seroconversion. In the control group, the number of patients with an increase in ALT in patients with isolated HBcAb and HBcAb and antibodies against HBsAg (HBsAb +) were five (20.0%) and one (2.8%), respectively (P HBcAb+ subgroup and one case (2.8%) in HBsAb+/HBcAb+ subgroup (P HBcAb+ only population, six patients (24.0%) in the control group had an increase in HBV DNA compared with none in the antiviral prophylactic group (P HBcAb+ in the control group underwent an HBsAg seroconversion when receiving immunosuppressive therapy for 18 months, while none in the antiviral prophylactic group underwent reversion to HBsAg positivity (P = 0.4949). Under immunosuppressive condition, the risk of HBV activation was much higher in patients with HBcAb than in patients with both HBcAb and antibodies to HBsAb group. Antiviral prophylactic therapy could significantly reduce the risk of HBV reactivation. © 2013 John Wiley & Sons Ltd.

  5. Prevention of de novo hepatitis B infection from HbcAb-positive donors in living donor liver transplantation.

    Science.gov (United States)

    Lee, K W; Lee, D S; Lee, H H; Kim, S J; Joh, J W; Seo, J M; Choe, Y H; Lee, S K

    2004-10-01

    Hepatitis B virus (HBV) prophylaxis is necessary to prevent de novo hepatitis B infection from HbcAb-positive donors. However, which protocol is more effective is somewhat controversial. Also, it is uncertain whether it is necessary to administer HBV prophylaxis for HbsAb-positive recipients. This study attempted to determine whether it is necessary to administer HBV prophylaxis for HbsAb-positive patients and to evaluate the efficacy of an HBIG monotherapy protocol. From May 1996 to July 2001, among 128 donors examined for HbcAb, 58 donors (45.3%) were HbcAb-positive. Eighteen HbcAb-positive grafts were transplanted to HbsAg-negative recipients. The 4 patients who died of unrelated causes were excluded from this study. Of 14 study cases, 12 recipients were HbsAb-positive, and 2 were HbsAb-naive. Prior to late 1998, we used HBV vaccination only for de novo infection prophylaxis. However, starting from December 1998, HBIG was administered from the time of the liver transplantation regardless of HBsAb positivity. The overall rate of de novo HBV infections from HbcAb-positive donors was 21.4% (3 of 14). All 3 recipients without HBIG prophylaxis presented with de novo HBV infections. Two were HbsAb-positive preoperatively. No de novo HBV infections occurred among recipients with HBIG prophylaxis. Therefore, it is essential to administer HBV prophylaxis even for vaccinated HbsAb-positive patients. HBIG monotherapy is effective to prevent de novo hepatitis B infections from HbcAb-positive donors in living donor liver transplantation.

  6. Distinguishing highly-related outbreak-associated Clostridium botulinum type A(B) strains.

    Science.gov (United States)

    Raphael, Brian H; Shirey, Timothy B; Lúquez, Carolina; Maslanka, Susan E

    2014-07-16

    In the United States, most Clostridium botulinum type A strains isolated during laboratory investigations of human botulism demonstrate the presence of an expressed type A botulinum neurotoxin (BoNT/A) gene and an unexpressed BoNT/B gene. These strains are designated type A(B). The most common pulsed-field gel electrophoresis (PFGE) pattern in the C. botulinum PulseNet database is composed of A(B) strains. The purpose of this study was to evaluate the ability of genome sequencing and multi-loci variable number of tandem repeat analysis (MLVA) to differentiate such strains. The genome sequences of type A(B) strains evaluated in this study are closely related and cluster together compared to other available C. botulinum Group I genomes. In silico multilocus sequence typing (MLST) analysis (7-loci) was unable to differentiate any of the type A(B) strains isolated from seven different outbreak investigations evaluated in this study. A 15-locus MLVA scheme demonstrated an improved ability to differentiate these strains, however, repeat unit variation among the strains was restricted to only two loci. Reference-free single nucleotide polymorphism (SNP) analysis demonstrated the ability to differentiate strains from all of the outbreaks examined and a non-outbreak associated strain. This study confirms that type A(B) strains that share the same PFGE pattern also share closely-related genome sequences. The lack of a complete type A(B) strain representative genome sequence hinders the ability to assemble genomes by reference mapping and analysis of SNPs at pre-identified sites. However, compared to other methods evaluated in this study, a reference-free SNP analysis demonstrated optimal subtyping utility for type A(B) strains using de novo assembled genome sequences.

  7. YaxAB, a Yersinia enterocolitica Pore-Forming Toxin Regulated by RovA

    Science.gov (United States)

    Wagner, Nikki J.; Lin, Carolina P.; Borst, Luke B.

    2013-01-01

    The transcriptional regulator RovA positively regulates transcription of the Yersinia enterocolitica virulence gene inv. Invasin, encoded by inv, is important for establishment of Y. enterocolitica infection. However, a rovA mutant is more attenuated for virulence than an inv mutant, implying that RovA regulates additional virulence genes. When the Y. enterocolitica RovA regulon was defined by microarray analysis, YE1984 and YE1985 were among the genes identified as being upregulated by RovA. Since these genes are homologous to Xenorhabdus nematophila cytotoxin genes xaxA and xaxB, we named them yaxA and yaxB, respectively. In this work, we demonstrate the effects of YaxAB on the course of infection in the murine model. While a yaxAB mutant (ΔyaxAB) is capable of colonizing mice at the same level as the wild type, it slightly delays the course of infection and results in differing pathology in the spleen. Further, we found that yaxAB encode a probable cytotoxin capable of lysing mammalian cells, that both YaxA and YaxB are required for cytotoxic activity, and that the two proteins associate. YaxAB-mediated cell death occurs via osmotic lysis through the formation of distinct membrane pores. In silico tertiary structural analysis identified predicted structural homology between YaxA and proteins in pore-forming toxin complexes from Bacillus cereus (HBL-B) and Escherichia coli (HlyE). Thus, it appears that YaxAB function as virulence factors by inducing cell lysis through the formation of pores in the host cell membrane. This characterization of YaxAB supports the hypothesis that RovA regulates expression of multiple virulence factors in Y. enterocolitica. PMID:24002058

  8. Evaluation of Sofia fluorescent immunoassay analyzer for influenza A/B virus.

    Science.gov (United States)

    Lee, Chang Kyu; Cho, Chi Hyun; Woo, Mi Kyung; Nyeck, Agnes E; Lim, Chae Seung; Kim, Woo Joo

    2012-11-01

    The influenza virus causes seasonal epidemics which are associated with high morbidity and mortality. Rapid diagnostics tests (RDT) are frequently used to make a quick influenza diagnosis to confirm the clinical suspicion, despite their low sensitivity. Assess the performance of the Sofia Influenza A+B Fluorescence Immunoassay (Quidel, San Diego, CA). Nasopharyngeal swabs, taken from 241 patients (influenza A (n=73)/B (n=72), negative samples (n=96)) were analyzed using the Sofia Influenza A+B Fluorescence Immunoassay, BinaxNOW Influenza A/B antigen kit (Alere Inc., USA), Directigen EZ Flu A and B (Becton Dickinson, USA), real-time RT-PCR and an influenza virus culture. There was a significant difference between the performance of rapid antigen tests and the Sofia FIA, when compared to the RT-PCR, in the detection of influenza strain A and B. Indeed, the Sofia FIA displayed sensitivities of 82.2% and 77.8% for strains A and B respectively, whereas sensitivities of BinaxNOW Influenza A/B antigen kit, and Directigen Flu A and B were 54.8%, and 68.5% for influenza A, and 62.5%, and 52.8% for influenza B respectively. The average RT-PCR threshold cycle (C(t)) (±SD) for the Sofia Influenza A+B Fluorescence Immunoassay-positive specimens was higher than those of the BinaxNOW Influenza A/B antigen and the Directigen EZ Flu A and B kit positive specimens. Compared to other RDTs, the Sofia Influenza A+B Fluorescence Immunoassay is a sensitive, and rapid method for the detection and discrimination between influenza A and B. Copyright © 2012 Elsevier B.V. All rights reserved.

  9. An absolute index (Ab-index to measure a researcher's useful contributions and productivity.

    Directory of Open Access Journals (Sweden)

    Akshaya Kumar Biswal

    Full Text Available Bibliographic analysis has been a very powerful tool in evaluating the effective contributions of a researcher and determining his/her future research potential. The lack of an absolute quantification of the author's scientific contributions by the existing measurement system hampers the decision-making process. In this paper, a new metric system, Absolute index (Ab-index, has been proposed that allows a more objective comparison of the contributions of a researcher. The Ab-index takes into account the impact of research findings while keeping in mind the physical and intellectual contributions of the author(s in accomplishing the task. The Ab-index and h-index were calculated for 10 highly cited geneticists and molecular biologist and 10 young researchers of biological sciences and compared for their relationship to the researchers input as a primary author. This is the first report of a measuring method clarifying the contributions of the first author, corresponding author, and other co-authors and the sharing of credit in a logical ratio. A java application has been developed for the easy calculation of the Ab-index. It can be used as a yardstick for comparing the credibility of different scientists competing for the same resources while the Productivity index (Pr-index, which is the rate of change in the Ab-index per year, can be used for comparing scientists of different age groups. The Ab-index has clear advantage over other popular metric systems in comparing scientific credibility of young scientists. The sum of the Ab-indices earned by individual researchers of an institute per year can be referred to as Pr-index of the institute.

  10. HEK293 cells express dystrophin Dp71 with nucleus-specific localization of Dp71ab.

    Science.gov (United States)

    Nishida, Atsushi; Yasuno, Sato; Takeuchi, Atsuko; Awano, Hiroyuki; Lee, Tomoko; Niba, Emma Tabe Eko; Fujimoto, Takahiro; Itoh, Kyoko; Takeshima, Yasuhiro; Nishio, Hisahide; Matsuo, Masafumi

    2016-09-01

    The dystrophin gene consists of 79 exons and encodes tissue-specific isoforms. Mutations in the dystrophin gene cause Duchenne muscular dystrophy, of which a substantial proportion of cases are complicated by non-progressive mental retardation. Abnormalities of Dp71, an isoform transcribed from a promoter in intron 62, are a suspected cause of mental retardation. However, the roles of Dp71 in human brain have not been fully elucidated. Here, we characterized dystrophin in human HEK293 cells with the neuronal lineage. Reverse transcription-PCR amplification of the full-length dystrophin transcript revealed the absence of fragments covering the 5' part of the dystrophin cDNA. In contrast, fragments covering exons 64-79 were present. The Dp71 promoter-specific exon G1 was shown spliced to exon 63. We demonstrated that the Dp71 transcript comprised two subisoforms: one lacking exon 78 (Dp71b) and the other lacking both exons 71 and 78 (Dp71ab). Western blotting of cell lysates using an antibody against the dystrophin C-terminal region revealed two bands, corresponding to Dp71b and Dp71ab. Immunohistochemical examination with the dystrophin antibody revealed scattered punctate signals in the cytoplasm and the nucleus. Western blotting revealed one band corresponding to Dp71b in the cytoplasm and two bands corresponding to Dp71b and Dp71ab in the nucleus, with Dp71b being predominant. These results indicated that Dp71ab is a nucleus-specific subisoform. We concluded that Dp71, comprising Dp71b and Dp71ab, was expressed exclusively in HEK293 cells and that Dp71ab was specifically localized to the nucleus. Our findings suggest that Dp71ab in the nucleus contributes to the diverse functions of HEK293 cells.

  11. Ab initio calculations of Gamow-Teller strengths in the s d shell

    Science.gov (United States)

    Saxena, Archana; Srivastava, Praveen C.; Suzuki, Toshio

    2018-02-01

    In the present work we perform a systematic shell-model study of Gamow-Teller transition-strength distributions in s d shell nuclei using ab initio effective interactions. The ab initio effective interactions are based on in-medium similarity renormalization-group and coupled-cluster effective interaction approaches. The aim of the present work is to test the predictive power of ab initio effective interactions by using the available experimental data of Gamow-Teller strength distributions in s d shell nuclei. We perform calculations for 20Ne→20F , 23Na→23Mg , 23Na→23Ne , 24Mg→24Na , 24Mg→24Al , 25Mg→25Al , 26Mg→26Na , 26Mg→26Al , 26Si→26Al , 27Al→27Si , 28Si→28P , 31P→31Si , and 32S→32P transitions. For comparison we also show the results obtained by using the phenomenological USDB Hamiltonian. The phenomenological USDB results of the Gamow-Teller (GT+ and GT-) strength distributions show reasonable agreements with the experimental data in comparison with the ab initio interactions. We also calculate the electron-capture reaction rates for 23Na(e-,ν )23Ne and 25Mg(e-,ν )25Na using ab initio and USDB interactions.

  12. The NISTmAb Reference Material 8671 lifecycle management and quality plan.

    Science.gov (United States)

    Schiel, John E; Turner, Abigail

    2018-03-01

    Comprehensive analysis of monoclonal antibody therapeutics involves an ever expanding cadre of technologies. Lifecycle-appropriate application of current and emerging techniques requires rigorous testing followed by discussion between industry and regulators in a pre-competitive space, an effort that may be facilitated by a widely available test metric. Biopharmaceutical quality materials, however, are often difficult to access and/or are protected by intellectual property rights. The NISTmAb, humanized IgG1κ Reference Material 8671 (RM 8671), has been established with the intent of filling that void. The NISTmAb embodies the quality and characteristics of a typical biopharmaceutical product, is widely available to the biopharmaceutical community, and is an open innovation tool for development and dissemination of results. The NISTmAb lifecyle management plan described herein provides a hierarchical strategy for maintenance of quality over time through rigorous method qualification detailed in additional submissions in the current publication series. The NISTmAb RM 8671 is a representative monoclonal antibody material and provides a means to continually evaluate current best practices, promote innovative approaches, and inform regulatory paradigms as technology advances. Graphical abstract The NISTmAb Reference Material (RM) 8671 is intended to be an industry standard monoclonal antibody for pre-competitive harmonization of best practices and designing next generation characterization technologies for identity, quality, and stability testing.

  13. Synergistic effect of carbon nanotube and clay for improving the flame retardancy of ABS resin

    Energy Technology Data Exchange (ETDEWEB)

    Ma Haiyun [Institute of Polymer Composites, Key Laboratory of Macromolecular Synthesis and Functionalization, Zhejiang University, Hangzhou 310027 (China); Tong Lifang [Institute of Polymer Composites, Key Laboratory of Macromolecular Synthesis and Functionalization, Zhejiang University, Hangzhou 310027 (China); Xu Zhongbin [Institute of Polymer Composites, Key Laboratory of Macromolecular Synthesis and Functionalization, Zhejiang University, Hangzhou 310027 (China); Fang Zhengping [Institute of Polymer Composites, Key Laboratory of Macromolecular Synthesis and Functionalization, Zhejiang University, Hangzhou 310027 (China)

    2007-09-19

    Synergistic effect between multi-walled carbon nanotubes (MWNTs) and clay on improving the flame retardancy of acrylonitrile-butadiene-styrene (ABS) resin was studied. Flammability properties measured by a cone calorimeter revealed that incorporation of clay and MWNTs into ABS resin significantly reduced the peak heat release rate (PHRR) and slowed down the whole combustion process compared to the individually filled system based on clay or MWNTs. The flame retardancy of the ABS/clay/MWNTs nanocomposites was strongly affected by the formation of a network structure. Linear viscoelastic properties of the ABS nanocomposites showed that the coexistence of clay and MWNTs can enhance the network structure which can hinder the movement of polymer chains and improve flame retardancy. From transmission electron microscope analysis, MWNTs were shortened after combustion and there was no significant change in their diameters. For chars of ABS/clay/MWNTs nanocomposites, some MWNTs ran across between clay layers, indicating a strong interaction existed between clay and MWNTs. The existence of clay enhanced the graphitization degree of MWNTs during combustion. Clay can assist the elimination of dislocations and defects and the rearrangement of crystallites. Al{sub 2}O{sub 3}, one of the components of clay, acts as the catalyst of graphitization.

  14. Physical and Mechanical Characteristics of Kevlar Fiber-Reinforced PC/ABS Composites

    Directory of Open Access Journals (Sweden)

    Kuljira Sujirote

    2012-01-01

    Full Text Available In this research, the composites between polycarbonate (PC and acrylonitrile-butadiene-styrene (ABS alloy and Kevlar fiber were prepared. The flexural and tensile properties of PC/ABS alloy and its composites were determined using a universal testing machine. The synergistic behavior of flexural modulus was observed for all regions of PC contents, while the synergism of flexural strength and tensile strength were found in some PC contents. It was found that the optimum weight ratio of PC:ABS was 60:40. In the Kevlar Fiber-reinforced PC/ABS composite system at PC:ABS of 60:40, both flexural modulus and strength were increased with matrix contents. Additionally, the flexural strength drastically increased with the matrix content and then reached the maximum value of 167 MPa at the matrix content of 33.4 wt%. The results from peel test, water contact measurement, and scanning electron microscopy (SEM reveal that the interfacial adhesion between the Kevlar fiber and the polymer matrix could be improved by increasing the PC content in the matrix.

  15. Possible mechanism of the vasodepressor effect of endokinin a/b in anesthetized rats.

    Science.gov (United States)

    Abdelrahman, Aly Mohamed; Syyong, Harley; Tjahjadi, Anindita; Pang, Catherine Cheuk Ying

    2005-09-01

    We investigated the mechanism of the vasodepressor effect of endokinin A/B. An intravenous (IV) bolus of endokinin A/B (0.05-0.3 nmol/kg) dose-dependently decreased mean arterial pressure in thiobutabarbital-anesthetized rats. The magnitude of the response was unaffected by IV pretreatment with NG-nitro-L-arginine methyl ester (L-NAME, inhibitor of nitric oxide synthase), methylene blue (inhibitor of soluble guanylyl cyclase), indomethacin (cyclooxygenase inhibitor), or tetraethylammonium (TEA, nonspecific K+ channel blocker). L-NAME reduced the half-recovery time of the vasodepressor effect of endokinin A/B relative to responses in rats pretreated with either saline or norepinephrine, which caused a similar pressor effect as did L-NAME. Methylene blue, but not TEA or indomethacin, reduced the recovery time of the vasodepressor effect of endokinin A/B. Therefore, the vasodepressor effect of endokinin A/B is mediated via the nitric oxide/L-arginine pathway and activation of soluble guanylyl cyclase but not by production of prostanoids or opening of TEA-sensitive K+ channels.

  16. Use of an anti-platelet monoclonal antibody F (ab')2 fragment for imaging thrombus

    International Nuclear Information System (INIS)

    Loutfi, I.; Stuttle, A.W.J.; Peters, A.M.; George, P.; Lavender, J.P.; Lumley, P.

    1990-01-01

    Ten patients with suspected thrombus have been studied using 111 In-labelled F (ab')2 fragments of P256, a monoclonal antibody which recognizes an epitope on the platelet membrane glycoprotein IIb/IIIa complex. The F (ab')2 fragment was radiolabelled with 111 In via diethylenetri-aminepentamacetic acid to give a specific activity of up to 190 MBq (5mCi) mg - 1 without impairment of immunoreactivity. In vitro platelet aggregation studies showed that the F (ab')2 fragment caused less platelet aggregation than the whole antibody on a molar ratio and was without significant effect upon the sensitivity of platelets to a range of aggregating agents. Platalets were labelled in ten patients by intravenous injection of approximately 100 μg P256 F (ab')2. Of the ten patients studies, six showed localization of activity consistent with platelet accumulation. Localization was clearly seen when associated with thrombus of the lower limbs (three patients: deep vein thrombosis; one patient: aortofemoral graft), and was apparent although less marked in two other cases, one of aortic aneurysm and one of carotid stenosis. Use of radiolabelled P256 F (ab')2 offers a means of non-invasive detection of thrombus which, from in vitro studies, would appear to have less direct effect of platelet behaviour than the whole antibody. (author). 9 refs. 8 figs. 1 tab

  17. The preparation of F(ab')2 fragment and it's application in tumor radioimmunoimaging

    International Nuclear Information System (INIS)

    Yang Ziyi

    1991-01-01

    Monoclonal antibody against lung cancer was digested into F(ab') 2 fragment by pepsin and papain digestion. The yields of pure F(ab') 2 were 32.3 ± 5.5% and 52.3 ± 12.0% respectively. The immunoreactivity of F(ab') 2 was based on the ELISA assay and the cell binding studies was retained well. In the localization experiments, radioiodinated F(ab') 2 was injected intraperitoneally into the nude mice bearing human xenografts of lung cancer. The highest radioactivity in tumors, 1.37% of injected dose per gram, was reached on the first day after injection; its T/NT ratios were higher than those of the intact IgG in all tissues except kidney. The localization index (LI) in tumors was 4.95, while the average LI value of normal tissues was 1.25. After the injection of 131 I-F(ab') 2 intraperitoneally into lung tumor-bearing nude mice, photo scintigraphy was performed at intervals of 12 hrs. The xenografts were visualized distinctly during 36 ∼ 48 hr, and the nonspecific background was very low at 48 hr

  18. Remodeling of the AB site of rat parvalbumin and oncomodulin into a canonical EF-hand

    DEFF Research Database (Denmark)

    Cox, J A; Durussel, I; Scott, D J

    1999-01-01

    -residue canonical loop. To create an optical conformational probe we also expressed the homologs with a F102W replacement. Unexpectedly, in none of the proteins did the mutation reactivate the AB site. The AB-remodeled parvalbumins bind two Ca2+ ions with strong positive cooperativity (nH = 2......Parvalbumin (PV) and the homologous protein oncomodulin (OM) contain three EF-hand motifs, but the first site (AB) cannot bind Ca2+. Here we aimed to recreate the putative ancestral proteins [D19-28E]PV and [D19-28E]OM by replacing the 10-residue-long nonfunctional loop in the AB site by a 12...... conformations. The AB-remodeled oncomodulins also bind two Ca2+ with [Ca2+]0.5 = 43 microM and nH = 1.45. Mg2+ does not affect Ca2+ binding. Again the Ca2+ forms display two-thirds of the alpha-helical content in the wild-type, while their core is still strongly hydrophobic as monitored by Trp and Tyr...

  19. Small-Angle Neutron Scattering study of the NIST mAb reference material

    Science.gov (United States)

    Castellanos, Maria Monica; Liu, Yun; Krueger, Susan; Curtis, Joseph

    Monoclonal antibodies (mAbs) are of great interest to the biopharmaceutical industry because they can be engineered to target specific antigens. Due to their importance, the biomanufacturing initiative at NIST is developing an IgG1 mAb reference material `NIST mAb', which can be used by industry, academia, and regulatory authorities. As part of this collaborative effort, we aim at characterizing the reference material using neutron scattering techniques. We have studied the small-angle scattering profile of the NIST mAb in a histidine buffer at 0 and 150 mM NaCl. Using Monte Carlo simulations, we generate an ensemble of structures and calculate their theoretical scattering profile, which can be directly compared with experimental data. Moreover, we analyze the structure factor to understand the effect of solution conditions on the protein-protein interactions. Finally, we have measured the solution scattering of the NIST mAb, while simultaneously performing freeze/thaw cycles, in order to investigate if the solution structure was affected upon freezing. The results from neutron scattering not only support the development of the reference material, but also provide insights on its stability and guide efforts for its development under different formulations.

  20. Differential screening of phage-ab libraries by oligonucleotide microarray technology.

    Directory of Open Access Journals (Sweden)

    Paolo Monaci

    Full Text Available A novel and efficient tagArray technology was developed that allows rapid identification of antibodies which bind to receptors with a specific expression profile, in the absence of biological information. This method is based on the cloning of a specific, short nucleotide sequence (tag in the phagemid coding for each phage-displayed antibody fragment (phage-Ab present in a library. In order to set up and validate the method we identified about 10,000 different phage-Abs binding to receptors expressed in their native form on the cell surface (10 k Membranome collection and tagged each individual phage-Ab. The frequency of each phage-Ab in a given population can at this point be inferred by measuring the frequency of its associated tag sequence through standard DNA hybridization methods. Using tiny amounts of biological samples we identified phage-Abs binding to receptors preferentially expressed on primary tumor cells rather than on cells obtained from matched normal tissues. These antibodies inhibited cell proliferation in vitro and tumor development in vivo, thus representing therapeutic lead candidates.

  1. Field evidence for the exposure of ground beetles to Cry1Ab from transgenic corn.

    Science.gov (United States)

    Zwahlen, Claudia; Andow, David A

    2005-01-01

    Non-target organisms associated with the soil might be adversely affected by exposure to the CrylAb protein from Bacillus thuringiensis (Bt) in transgenic corn (Zea mays L.). To check for such exposure, we used ELISA to test for Cry1Ab in ground beetles collected live from fields with Bt corn residues and Bt corn (Bt/Bt), Bt corn residues and non-Bt crops (Bt/non-Bt), or non-Bt corn residues and non-Bt crops (non-Bt/non-Bt). In fields with Bt corn residues (Bt/Bt and Bt/non-Bt), Cry1Ab was present in all seven species of ground beetles examined (Agonum placidum, Bembidion rupicola, Clivina impressefrons, Cyclotrachelus iowensis, Harpalus pensylvanicus, Poecilus chalcites, and Poecilus lucublandus). For the two most abundant species, P. chalcites and P. lucublandus, the proportion of beetles with Cry1Ab was significantly higher in Bt/Bt fields (0.50-1.0) and Bt/non-Bt fields (0.41-0.50) than in non-Bt/non-Bt fields (0.0). This is the first field evidence that some ground beetle species are exposed to Cry1Ab. The implications of exposure on the performance of these non-target organisms are unclear.

  2. Helicase properties of the Escherichia coli UvrAb protein complex

    International Nuclear Information System (INIS)

    Oh, E.Y.; Grossman, L.

    1987-01-01

    The Escherichia coli UvrA protein has an associated ATPase activity with a turnover number affected by the presence of UvrB protein as well as by DNA. Specifically, the structure of DNA significantly influences the turnover rate of the UvrAB ATPase activity. Double-stranded DNA maximally activates the turnover rate 10-fold whereas single-stranded DNA maximally activates the turnover rate 20-fold, suggesting that the mode of interaction of UvrAB protein with different DNAs is distinctive. We have previously shown that the UvrAB protein complex, driven by the binding energy of ATP, can locally unwind supercoiled DNA. The nature of the DNA unwinding activity and single-stranded DNA activation of ATPase activity suggest potential helicase activity. In the presence of a number of helicase substrates, the UvrAB complex, indeed, manifests a strand-displacement activity-unwinding short duplexes and D-loop DNA, thereby generating component DNA structures. The energy for the activity is derived from ATP or dATP hydrolysis. Unlike the E. coli DnaB, the UvrAB helicase is sensitive to UV-induced photoproducts

  3. Characterization of molecular mechanisms controlling fabAB transcription in Pseudomonas aeruginosa.

    Directory of Open Access Journals (Sweden)

    Herbert P Schweizer

    Full Text Available BACKGROUND: The FabAB pathway is one of the unsaturated fatty acid (UFA synthesis pathways for Pseudomonas aeruginosa. It was previously noted that this operon was upregulated in biofilms and repressed by exogenous UFAs. Deletion of a 30 nt fabA upstream sequence, which is conserved in P. aeruginosa, P. putida, and P. syringae, led to a significant decrease in fabA transcription, suggesting positive regulation by an unknown positive regulatory mechanism. METHODS/PRINCIPAL FINDINGS: Here, genetic and biochemical approaches were employed to identify a potential fabAB activator. Deletion of candidate genes such as PA1611 or PA1627 was performed to determine if any of these gene products act as a fabAB activator. However, none of these genes were involved in the regulation of fabAB transcription. Use of mariner-based random mutagenesis to screen for fabA activator(s showed that several genes encoding unknown functions, rpoN and DesA may be involved in fabA regulation, but probably via indirect mechanisms. Biochemical attempts performed did fail to isolate an activator of fabAB operon. CONCLUSION/SIGNIFICANCE: The data suggest that fabA expression might not be regulated by protein-binding, but by a distinct mechanism such as a regulatory RNA-based mechanism.

  4. Simulation of Charged Particle Trajectories in the Neutron Decay Correlation Experiment abBA.

    Science.gov (United States)

    Desai, Dharmin; Greene, Geoffrey; Mahurin, Rob; Bowman, David; Calarco, John

    2005-01-01

    The proposed neutron decay correlation experiment, abBA, will directly detect the direction of emission of decay protons and electrons as well as providing spectroscopic information for both particles. In order to provide this information, the abBA experiment incorporates spatially varying electric and magnetic fields. We report on detailed simulations of the decay particle trajectories in order to assess the impact of various systematic effects on the experimental observables. These include among others; adiabaticity of particle orbits, tracking of orbits, reversal of low energy protons due to inhomogeneous electric field, and accuracy of proton time of flight measurements. Several simulation methods were used including commercial software (Simion), custom software, as well as analytical tools based on the use of adiabatic invariants. Our results indicate that the proposed field geometry of the abBA spectrometer will be substantially immune to most systematic effects and that transport calculations using adiabatic invariants agree well with solution of the full equations of motion.

  5. Sustainability of Recycled ABS and PA6 by Banana Fiber Reinforcement: Thermal, Mechanical and Morphological Properties

    Science.gov (United States)

    Singh, Rupinder; Kumar, Ranvijay; Ranjan, Nishant

    2018-01-01

    In the present study efforts have been made to prepare functional prototypes with improved thermal, mechanical and morphological properties from polymeric waste for sustainability. The primary recycled acrylonitrile butadiene styrene (ABS) and polyamide 6 (PA6) has been selected as matrix material with bio-degradable and bio-compatible banana fibers (BF) as reinforcement. The blend (in form of feed stock filament wire) of ABS/PA6 and BF was prepared in house by conventional twin screw extrusion (TSE) process. Finally feed stock filament of ABS/PA6 reinforced with BF was put to run on open source fused deposition modelling based three dimensional printer (without any change in hardware/software of the system) for printing of functional prototypes with improved thermal/mechanical/morphological properties. The results are supported by photomicrographs, thermographs and mechanical testing.

  6. Study on Physical and Mechanical Properties of Wood flour / ABS Composites

    Directory of Open Access Journals (Sweden)

    Abdollah Najafi

    2015-05-01

    Full Text Available The aim of this research is study on physical and mechanical properties of wood flour/ Acrylonitrile Butadiene Styrene (ABS based on effect of SMA as coupling agent (0, 4 phc and wood flour filler loading (30,40, 50% of total weight and virgin and recycled ABS. Samples of composites were made by injection molding method and physical tests including long term water absorption and thickness swelling and mechanical tests containing hardness and tensile strength and modulus of them were performed according to ASTM standards method. The results showed that by increasing the amount of wood flour water absorption, water absorption coefficient, thickness swelling, hygroscopic thickness swelling rate, hardness, tensile strength and modulus of composites were increased. Using of virgin ABS in making of composites increased the tensile properties, hardness composites and decreased water absorption, thickness swelling and parameters of them, in long term immersion. Using of SMA in composites decreased hardness of composites.

  7. Equine Immunoglobulin and Equine Neutralizing F(ab')₂ Protect Mice from West Nile Virus Infection.

    Science.gov (United States)

    Cui, Jiannan; Zhao, Yongkun; Wang, Hualei; Qiu, Boning; Cao, Zengguo; Li, Qian; Zhang, Yanbo; Yan, Feihu; Jin, Hongli; Wang, Tiecheng; Sun, Weiyang; Feng, Na; Gao, Yuwei; Sun, Jing; Wang, Yanqun; Perlman, Stanley; Zhao, Jincun; Yang, Songtao; Xia, Xianzhu

    2016-12-18

    West Nile virus (WNV) is prevalent in Africa, Europe, the Middle East, West Asia, and North America, and causes epidemic encephalitis. To date, no effective therapy for WNV infection has been developed; therefore, there is urgent need to find an efficient method to prevent WNV disease. In this study, we prepared and evaluated the protective efficacy of immune serum IgG and pepsin-digested F(ab')₂ fragments from horses immunized with the WNV virus-like particles (VLP) expressing the WNV M and E proteins. Immune equine F(ab')₂ fragments and immune horse sera efficiently neutralized WNV infection in tissue culture. The passive transfer of equine immune antibodies significantly accelerated the virus clearance in the spleens and brains of WNV infected mice, and reduced mortality. Thus, equine immunoglobulin or equine neutralizing F(ab')₂ passive immunotherapy is a potential strategy for the prophylactic or therapeutic treatment of patients infected with WNV.

  8. Investigations for Thermal and Electrical Conductivity of ABS-Graphene Blended Prototypes.

    Science.gov (United States)

    Singh, Rupinder; Sandhu, Gurleen S; Penna, Rosa; Farina, Ilenia

    2017-07-31

    The thermoplastic materials such as acrylonitrile-butadiene-styrene (ABS) and Nylon have large applications in three-dimensional printing of functional/non-functional prototypes. Usually these polymer-based prototypes are lacking in thermal and electrical conductivity. Graphene (Gr) has attracted impressive enthusiasm in the recent past due to its natural mechanical, thermal, and electrical properties. This paper presents the step by step procedure (as a case study) for development of an in-house ABS-Gr blended composite feedstock filament for fused deposition modelling (FDM) applications. The feedstock filament has been prepared by two different methods (mechanical and chemical mixing). For mechanical mixing, a twin screw extrusion (TSE) process has been used, and for chemical mixing, the composite of Gr in an ABS matrix has been set by chemical dissolution, followed by mechanical blending through TSE. Finally, the electrical and thermal conductivity of functional prototypes prepared from composite feedstock filaments have been optimized.

  9. Ab Initio and Phenomenological Modeling of the Phonon Spectrum of Superhard cp-BC2N

    Science.gov (United States)

    Basalaev, Yu. M.; Kopytov, A. V.; Pavlova, T. Yu.; Poplavnoi, A. S.

    2015-11-01

    The phonon spectrum of hypothetical superhard cp-BC2N is calculated based on ab initio method of density functional in the center of the Brillouin zone and interpolated over the entire Brillouin zone using the Keating phenomenological model. The interaction parameters are determined by optimization of the IR- and Ramanactive frequencies for a phenomenological model by their comparison with the results of ab initio calculations. Numerical values of short-range interaction constants and charges are in agreement with the characteristics of the chemical bond calculated ab initio. These parameters have transparent physical meaning and chemical nature and can further be used for both qualitative estimations of any physical and physico-chemical quantities and quantitative calculations of the phonon spectra of a number of isostructural compounds. The Keating phenomenological model is used to study the genesis of the phonon spectrum from the spectra of sublattices.

  10. ORBITAL AND PHYSICAL PROPERTIES OF THE σ Ori Aa, Ab, B TRIPLE SYSTEM

    Energy Technology Data Exchange (ETDEWEB)

    Simón-Díaz, S. [Instituto de Astrofísica de Canarias, E-38200 La Laguna, Tenerife (Spain); Caballero, J. A.; Apellániz, J. Maíz [Centro de Astrobiología (CSIC-INTA), ESAC Campus, P.O. Box 78, E-28691 Villanueva de la Cañada, Madrid (Spain); Lorenzo, J.; Negueruela, I.; Dorda, R.; Marco, A. [Departamento de Física, Ingeniería de Sistemas y Teoría de la Señal, Escuela Politécnica Superior, University of Alicante, Apdo. 99, E-03080 Alicante (Spain); Schneider, F. R. N. [Argelander-Institut für Astronomie der Universität Bonn, Auf dem Hügel 71, D-53121 Bonn (Germany); Barbá, R. H. [Departamento de Física, Universidad de La Serena, Benavente 980, La Serena (Chile); Montes, D. [Departamento Astrofísica, Facultad de Ciencias Físicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Pellerin, A. [Department of Physics and Astronomy, State University of New York at Geneseo, 1 College Circle, Geneseo, NY 14454 (United States); Sanchez-Bermudez, J.; Sota, A. [Instituto de Astrofísica de Andalucía (CSIC), Glorieta de la Astronomía s/n, E-18008 Granada (Spain); Sódor, Á., E-mail: ssimon@iac.es [Konkoly Observatory, Research Centre for Astronomy and Earth Sciences, Hungarian Academy of Sciences, H-01121 Budapest (Hungary)

    2015-02-01

    We provide a complete characterization of the astrophysical properties of the σ Ori Aa, Ab, B hierarchical triple system and an improved set of orbital parameters for the highly eccentric σ Ori Aa, Ab spectroscopic binary. We compiled a spectroscopic data set comprising 90 high-resolution spectra covering a total time span of 1963 days. We applied the Lehman-Filhés method for a detailed orbital analysis of the radial velocity curves and performed a combined quantitative spectroscopic analysis of the σ Ori Aa, Ab, B system by means of the stellar atmosphere code FASTWIND. We used our own plus other available information on photometry and distance to the system for measuring the radii, luminosities, and spectroscopic masses of the three components. We also inferred evolutionary masses and stellar ages using the Bayesian code BONNSAI. The orbital analysis of the new radial velocity curves led to a very accurate orbital solution of the σ Ori Aa, Ab pair. We provided indirect arguments indicating that σ Ori B is a fast-rotating early B dwarf. The FASTWIND+BONNSAI analysis showed that the Aa, Ab pair contains the hottest and most massive components of the triple system while σ Ori B is a bit cooler and less massive. The derived stellar ages of the inner pair are intriguingly younger than the one widely accepted for the σ Orionis cluster, at 3 ± 1 Ma. The outcome of this study will be of key importance for a precise determination of the distance to the σ Orionis cluster, the interpretation of the strong X-ray emission detected for σ Ori Aa, Ab, B, and the investigation of the formation and evolution of multiple massive stellar systems and substellar objects.

  11. The Mechanochemical Cycle of Mammalian Kinesin-2 KIF3A/B under Load.

    Science.gov (United States)

    Andreasson, Johan O L; Shastry, Shankar; Hancock, William O; Block, Steven M

    2015-05-04

    The response of motor proteins to external loads underlies their ability to work in teams and determines the net speed and directionality of cargo transport. The mammalian kinesin-2, KIF3A/B, is a heterotrimeric motor involved in intraflagellar transport and vesicle motility in neurons. Bidirectional cargo transport is known to result from the opposing activities of KIF3A/B and dynein bound to the same cargo, but the load-dependent properties of kinesin-2 are poorly understood. We used a feedback-controlled optical trap to probe the velocity, run length, and unbinding kinetics of mouse KIF3A/B under various loads and nucleotide conditions. The kinesin-2 motor velocity is less sensitive than kinesin-1 to external forces, but its processivity diminishes steeply with load, and the motor was observed occasionally to slip and reattach. Each motor domain was characterized by studying homodimeric constructs, and a global fit to the data resulted in a comprehensive pathway that quantifies the principal force-dependent kinetic transitions. The properties of the KIF3A/B heterodimer are intermediate between the two homodimers, and the distinct load-dependent behavior is attributable to the properties of the motor domains and not to the neck linkers or the coiled-coil stalk. We conclude that the force-dependent movement of KIF3A/B differs significantly from conventional kinesin-1. Against opposing dynein forces, KIF3A/B motors are predicted to rapidly unbind and rebind, resulting in qualitatively different transport behavior from kinesin-1. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Modelling of nuclear glasses by classical and ab initio molecular dynamics; Modelisation de verres intervenant dans le conditionnement des dechets radioactifs par dynamiques moleculaires classique et ab initio

    Energy Technology Data Exchange (ETDEWEB)

    Ganster, P

    2004-10-15

    A calcium aluminosilicate glass of molar composition 67 % SiO{sub 2} - 12 % Al{sub 2}O{sub 3} - 21 % CaO was modelled by classical and ab initio molecular dynamics. The size effect study in classical MD shows that the systems of 100 atoms are more ordered than the larger ones. These effects are mainly due to the 3-body terms in the empirical potentials. Nevertheless, these effects are small and the structures generated are in agreement with experimental data. In such kind of glass, we denote an aluminium avoidance and an excess of non bridging oxygens which can be compensated by tri coordinated oxygens. When the dynamics of systems of 100 and 200 atoms is followed by ab initio MD, some local arrangements occurs (bond length, angular distributions). Thus, more realistic vibrational properties are obtained in ab initio MD. The modelling of thin films shows that aluminium atoms extend to the most external part of the surface and they are all tri-coordinated. Calcium atoms are set in the sub layer part of the surface and they produce a depolymerization of the network. In classical MD, tri-coordinated aluminium atoms produce an important electric field above the surface. With non bridging oxygens, they constitute attractive sites for single water molecules. (author)

  13. The coherent interlayer resistance of a single, rotated interface between two stacks of AB graphite

    Energy Technology Data Exchange (ETDEWEB)

    Habib, K. M. Masum, E-mail: khabib@ee.ucr.edu; Sylvia, Somaia S.; Neupane, Mahesh; Lake, Roger K., E-mail: rlake@ee.ucr.edu [Department of Electrical Engineering, University of California, Riverside, California 92521-0204 (United States); Ge, Supeng [Department of Physics and Astronomy, University of California, Riverside, California 92521-0204 (United States)

    2013-12-09

    The coherent, interlayer resistance of a misoriented, rotated interface between two stacks of AB graphite is determined for a variety of misorientation angles. The quantum-resistance of the ideal AB stack is on the order of 1 to 10 mΩ μm{sup 2}. For small rotation angles, the coherent interlayer resistance exponentially approaches the ideal quantum resistance at energies away from the charge neutrality point. Over a range of intermediate angles, the resistance increases exponentially with cell size for minimum size unit cells. Larger cell sizes, of similar angles, may not follow this trend. The energy dependence of the interlayer transmission is described.

  14. The coherent interlayer resistance of a single, rotated interface between two stacks of AB graphite

    International Nuclear Information System (INIS)

    Habib, K. M. Masum; Sylvia, Somaia S.; Neupane, Mahesh; Lake, Roger K.; Ge, Supeng

    2013-01-01

    The coherent, interlayer resistance of a misoriented, rotated interface between two stacks of AB graphite is determined for a variety of misorientation angles. The quantum-resistance of the ideal AB stack is on the order of 1 to 10 mΩ μm 2 . For small rotation angles, the coherent interlayer resistance exponentially approaches the ideal quantum resistance at energies away from the charge neutrality point. Over a range of intermediate angles, the resistance increases exponentially with cell size for minimum size unit cells. Larger cell sizes, of similar angles, may not follow this trend. The energy dependence of the interlayer transmission is described

  15. Metode Abû Dâwud Dalam Menulis Al-Sunan

    OpenAIRE

    Ma'sum, Ma'sum

    2011-01-01

    In this paper the author will reveal one of the prominent figures who have long been through the mill of hadith more over the quality of his knowledge in this field does not need to worry about, Abû Dâwud made a large contribution which includes hadith of the prophet in the his book. This study on the book of hadith methodology writing is owned by Abû Dâwud hadith have found some result of hadîth da‘îf that contained therein. the indication of hadîth da‘îf loading (also mawdû‘ according to Ib...

  16. Metode Abû Dâwud dalam Menulis al-Sunan

    OpenAIRE

    Ma'sum Ma'sum

    2015-01-01

    In this paper the author will reveal one of the prominent figures who have long been through the mill of hadith more over the quality of his knowledge in this field does not need to worry about, Abû Dâwud made a large contribution which includes hadith of the prophet in the his book. This study on the book of hadith methodology writing is owned by Abû Dâwud hadith have found some result of hadîth da‘îf that contained therein. the indication of hadîth da‘îf loading (also mawdû‘ according to Ib...

  17. Caracterización de las propiedades de mezclas de PC/ABS recicladas

    OpenAIRE

    Hierso, Axel

    2006-01-01

    Doble titulació El objetivo de este PFC ha sido de estudiar la evolución de las propiedades de dos mezclas muy diferentes de PC/ABS. Una ha sido preparada en el CCP (Centro Catalán del plástico) denominada material A y la otra es una mezcla Bayblend PC/ABS FR 2000 producida por Bayer que se denomina material B en este estudio. Las letras FR significan "Flame Retardant" (retardante de llama). Estas mezclas han sido inyectadas cinco veces cada una. Después de cada ciclo de iny...

  18. Physical origin of satellites in photoemission of doped graphene: an ab initio GW plus cumulant study.

    Science.gov (United States)

    Lischner, Johannes; Vigil-Fowler, Derek; Louie, Steven G

    2013-04-05

    We calculate the photoemission spectra of suspended and epitaxial doped graphene using an ab initio cumulant expansion of the Green's function based on the GW self-energy. Our results are compared to experiment and to standard GW calculations. For doped graphene on a silicon carbide substrate, we find, in contrast to earlier calculations, that the spectral function from GW only does not reproduce experimental satellite properties. However, ab initio GW plus cumulant theory combined with an accurate description of the substrate screening results in good agreement with experiment, but gives no plasmaron (i.e., no extra well-defined excitation satisfying Dyson's equation).

  19. An Emergency Department Presentation of Erythema Ab Igne Caused by Repeated Heater Exposure.

    Science.gov (United States)

    Goorland, Jeffrey; Edens, Mary Ann; Baudoin, Tammy D

    2016-01-01

    Erythema ab igne is a rare, reticular erythematous hyperpigmentation resulting from repeated thermal injury. We describe our assessment of a 22-year-old woman with bilateral shin discoloration of 3 weeks' duration. Upon questioning, she revealed that she had been standing near a portable heater for extended periods. She was advised to avoid further exposure to the heat source. By the time of a follow-up clinic visit, the discoloration had resolved. Patients with hyperpigmented patches should be questioned about heat exposure. Erythema ab igne can progress to serious dermatologic conditions, but if the cause is eliminated, it usually resolves without medical intervention.

  20. Ab Initio Calculations of Deuterium Isotope Effects on Chemical Shifts of Salt-Bridged Lysines

    DEFF Research Database (Denmark)

    Ullah, Saif; Ishimoto, Takayoshi; Williamson, Mike P.

    2011-01-01

    Deuterium isotope effects measure the change in chemical shift on substitution of a proton by deuterium. They have been calculated by direct treatment of the H/D nuclear quantum effect using a multicomponent ab initio molecular orbital method based on a non-Born−Oppenheimer approximation. This me......Deuterium isotope effects measure the change in chemical shift on substitution of a proton by deuterium. They have been calculated by direct treatment of the H/D nuclear quantum effect using a multicomponent ab initio molecular orbital method based on a non-Born−Oppenheimer approximation...

  1. A Comparative Study Between ABS and Disc Brake System Using Finite Element Method

    OpenAIRE

    Mobasseri, Saleh; Mobasseri, Mohammad

    2017-01-01

    This paper, refers to the history of the rise of brake system and describe its importance in passenger's lives. The Anti-lock Braking system (ABS), is the safety of vehicle systems to achieve maximum braking and decelerating in terms of increasing the stability and balance of the car and reduces the braking distance is designed. The performance of disc brake system and the Anti-lock Braking System (ABS) are also compared with each other by the kinetic analysis of the braking system and evalua...

  2. Pilot study of 68Ga-DOTA-F(ab?)2-trastuzumab in patients with breast cancer

    OpenAIRE

    Beylergil, Volkan; Morris, Patrick G.; Smith-Jones, Peter M.; Modi, Shanu; Solit, David; Hudis, Clifford A.; Lu, Yang; O?Donoghue, Joseph; Lyashchenko, Serge K.; Carrasquillo, Jorge A.; Larson, Steven M.; Akhurst, Timothy J.

    2013-01-01

    Objective 68Ga-1,4,7,10-Tetraazacyclododecane-N,N?,N??,N???-tetraacetic acid (DOTA)-F(ab?)2-trastuzumab [68Ga-DOTA-F(ab?)2-trastuzumab] has been developed at our institution as a positron imaging reagent for assessing human epidermal growth factor receptor 2 (HER2) expression status by in-vivo imaging. Initial studies on animals demonstrated promising results in the monitoring of treatment response to heat shock protein 90-targeted drugs that inhibit the client protein HER2. We report here ou...

  3. Ab initio calculations versus polarized neutron diffraction for the spin density of free radicals

    CERN Document Server

    Ressouche, E

    2003-01-01

    The determination of the magnetization distribution using polarized neutron diffraction has played a key role during the last twenty years in the field of molecular magnetism. This distribution can also be obtained by first principle ab initio calculations. Such calculations always rely on approximations and the question that arises is to know whether the obtained results are reliable enough to represent accurately the properties of these molecules. The comparison between polarized neutron experimental results and ab initio calculations has turned to provide stringent tests for these methods. In the resent article a comparison between experimental and theoretical results is made and is illustrated by examples based on magnetic free radicals. (author)

  4. A case study to estimate thermal conductivity of ABS in Cold Climate Chamber

    OpenAIRE

    Mughal, Umair Najeeb; Makarova, Marina; Virk, Muhammad Shakeel; Polanco Pinerez, Geanette

    2015-01-01

    Open Access (Romeo Green journal), publishers version / PDF may be used http://www.scirp.org/journal/wjet/ Non steady state thermal conductivity of ABS was estimated using an analytical approach in a Cold Climate Chamber at ?10?C and ?14?C. Two hollow cylinders of ABS of varying thickness were used to estimate the conductivity. The material was porous but the porosity was unknown. This paper is a case study to understand, if it is reasonable to estimate the thermal conductivity using th...

  5. Attenuation coefficient determination of printed ABS and PLA samples in diagnostic radiology standard beams

    International Nuclear Information System (INIS)

    Veneziani, G.R.; Correa, E.L.; Potiens, M.P.A.; Campos, L.L.

    2015-01-01

    IAEA code of practice TRS-457 states that standard phantoms should offer the same primary attenuation and scatter production as relevant body section of a representative patient. Material cost, availability and dimensional stability must also be considered. The goal of this study is to determine the attenuation coefficient of printed ABS and PLA in standard X-ray beams, verifying if phantoms printed with these materials could be an easier-handle substitute for PMMA, enabling the creation of different designs in an easier and cheaper way. Results show that PMMA presents higher attenuation coefficient, followed by PLA and ABS, which means that thinner PMMA layer creates higher radiation attenuation. (author)

  6. Resistance to Bacillus thuringiensis Toxin Cry2Ab in Trichoplusia ni Is Conferred by a Novel Genetic Mechanism

    Science.gov (United States)

    Song, Xiaozhao; Kain, Wendy; Cassidy, Douglas

    2015-01-01

    The resistance to the Bacillus thuringiensis (Bt) toxin Cry2Ab in a greenhouse-originated Trichoplusia ni strain resistant to both Bt toxins Cry1Ac and Cry2Ab was characterized. Biological assays determined that the Cry2Ab resistance in the T. ni strain was a monogenic recessive trait independent of Cry1Ac resistance, and there existed no significant cross-resistance between Cry1Ac and Cry2Ab in T. ni. From the dual-toxin-resistant T. ni strain, a strain resistant to Cry2Ab only was isolated, and the Cry2Ab resistance trait was introgressed into a susceptible laboratory strain to facilitate comparative analysis of the Cry2Ab resistance with the susceptible T. ni strain. Results from biochemical analysis showed no significant difference between the Cry2Ab-resistant and -susceptible T. ni larvae in midgut proteases, including caseinolytic proteolytic activity and zymogram profile and serine protease activities, in midgut aminopeptidase and alkaline phosphatase activity, and in midgut esterases and hemolymph plasma melanization activity. For analysis of genetic linkage of Cry2Ab resistance with potential Cry toxin receptor genes, molecular markers for the midgut cadherin, alkaline phosphatase (ALP), and aminopeptidase N (APN) genes were identified between the original greenhouse-derived dual-toxin-resistant and the susceptible laboratory T. ni strains. Genetic linkage analysis showed that the Cry2Ab resistance in T. ni was not genetically associated with the midgut genes coding for the cadherin, ALP, and 6 APNs (APN1 to APN6) nor associated with the ABC transporter gene ABCC2. Therefore, the Cry2Ab resistance in T. ni is conferred by a novel but unknown genetic mechanism. PMID:26025894

  7. Thermal behavior of vehicle plastic blends contained acrylonitrile-butadiene-styrene (ABS) in pyrolysis using TG-FTIR.

    Science.gov (United States)

    Liu, Guicai; Liao, Yanfen; Ma, Xiaoqian

    2017-03-01

    As important plastic blends in End-of-Life vehicles (ELV), pyrolysis profiles of ABS/PVC, ABS/PA6 and ABS/PC were investigated using thermogravimetric-Fourier transform infrared spectrometer (TG-FTIR). Also, CaCO 3 was added as plastic filler to discuss its effects on the pyrolysis of these plastics. The results showed that the interaction between ABS and PVC made PVC pyrolysis earlier and HCl emission slightly accelerated. The mixing of ABS and PA6 made their decomposition temperature closer, and ketones in PA6 pyrolysis products were reduced. The presence of ABS made PC pyrolysis earlier, and phenyl compounds in PC pyrolysis products could be transferred into alcohol or H 2 O. The interaction between ABS and other polymers in pyrolysis could be attributed to the intermolecular radical transfer, and free radicals from the polymer firstly decomposed led to a fast initiation the decomposition of the other polymer. As plastic filler, CaCO 3 promoted the thermal decomposition of PA6 and PC, and had no obvious effects on ABS and PVC pyrolysis process. Also, CaCO 3 made the pyrolysis products from PA6 and PC further decomposed into small-molecule compounds like CO 2 . The kinetics analysis showed that isoconversional method like Starink method was more suitable for these polymer blends. Starink method showed the average activation energy of ABS50/PVC50, ABS50/PA50 and ABS50/PC50 was 186.63kJ/mol, 239.61kJ/mol and 248.95kJ/mol, respectively, and the interaction among them could be reflected by the activation energy variation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Comparisons of transcriptional profiles of gut genes between cry1Ab-resistant and susceptible strains of Ostrinia nubilalis revealed genes possibly related to the adaptation of resistant larvae to transgenic cry1Ab corn

    Science.gov (United States)

    European corn borer (Ostrinia nubilalis) gut 2,895 unique genes expressions were quantified and compared between a laboratory-selected Cry1Ab-resistant (R) strain and a susceptible (S) strain after fed transgenic corn (MON810) leaves expressing Cry1Ab by microarray. A total of 398 gut genes were di...

  9. Characterization of plasmids carrying oqxAB in bla(CTX-M)-negative Escherichia coli isolates from food-producing animals.

    Science.gov (United States)

    Liu, Bao-Tao; Li, Liang; Fang, Liang-Xing; Sun, Jian; Liao, Xiao-Ping; Yang, Qiu-E; Huang, Ting; Liu, Ya-Hong

    2014-12-01

    To study the characteristics of plasmids harboring oqxAB among bla(CTX-M)-negative Escherichia coli isolates and search for oqxAB-harboring plasmids similar to plasmids carrying oqxAB-bla(CTX-M) reported previously, conjugation experiment was performed for 115 randomly selected oqxAB-positive but bla(CTX-M)-negative E. coli isolates from diseased animals in Guangdong, China. S1 nuclease pulsed-field gel electrophoresis (PFGE) and southern blotting experiments were performed to investigate the location of oqxAB and other resistance genes. The EcoRI digestion profiles of the plasmids with oqxAB were also analyzed. The clonal relatedness of donor isolates was investigated by PFGE. In this study, 32 oqxAB transconjugants were successfully obtained and most transconjugants showed multidrug resistances. Eleven replicon combination types were found in these transconjugants. floR and oqxAB were found on the same plasmids in all nine transconjugants resistant to florfenicol. The sequences between floR and oqxAB were identical in most transconjugants and the two genes were both linked with tnp in insertion sequences. Nine F18:A-:B1 plasmids with only oqxAB shared identical EcoRI digestion profiles and the profiles were also identical with that of a plasmid carrying oqxAB-bla(CTX-M) found previously. Co-transfer of plasmids carrying oqxAB and fosA3, respectively, was also observed in one isolate. This study demonstrates the dissemination of oqxAB among bla(CTX-M)-negative E. coli isolates was mainly mediated by identical F18:A-:B1 plasmids. A novel arrangement of regions between floR and oqxAB might play an important role in the dissemination of floR-oqxAB. This is the first description of the genetic environment of the relationship between oqxAB and floR in E. coli.

  10. Multicapillary SDS-gel electrophoresis for the analysis of fluorescently labeled mAb preparations: a high throughput quality control process for the production of QuantiPlasma and PlasmaScan mAb libraries.

    Science.gov (United States)

    Székely, Andrea; Szekrényes, Akos; Kerékgyártó, Márta; Balogh, Attila; Kádas, János; Lázár, József; Guttman, András; Kurucz, István; Takács, László

    2014-08-01

    Molecular heterogeneity of mAb preparations is the result of various co- and post-translational modifications and to contaminants related to the production process. Changes in molecular composition results in alterations of functional performance, therefore quality control and validation of therapeutic or diagnostic protein products is essential. A special case is the consistent production of mAb libraries (QuantiPlasma™ and PlasmaScan™) for proteome profiling, quality control of which represents a challenge because of high number of mAbs (>1000). Here, we devise a generally applicable multicapillary SDS-gel electrophoresis process for the analysis of fluorescently labeled mAb preparations for the high throughput quality control of mAbs of the QuantiPlasma™ and PlasmaScan™ libraries. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Distinct transcriptional regulation of the two Escherichia coli transhydrogenases PntAB and UdhA.

    Science.gov (United States)

    Haverkorn van Rijsewijk, Bart R B; Kochanowski, Karl; Heinemann, Matthias; Sauer, Uwe

    2016-09-01

    Transhydrogenases catalyse interconversion of the redox cofactors NADH and NADPH, thereby conveying metabolic flexibility to balance catabolic NADPH formation with anabolic or stress-based consumption of NADPH. Escherichia coli is one of the very few microbes that possesses two isoforms: the membrane-bound, proton-translocating transhydrogenase PntAB and the cytosolic, energy-independent transhydrogenase UdhA. Despite their physiological relevance, we have only fragmented information on their regulation and the signals coordinating their counteracting activities. Here we investigated PntAB and UdhA regulation by studying transcriptional responses to environmental and genetic perturbations. By testing pntAB and udhA GFP reporter constructs in the background of WT E. coli and 62 transcription factor mutants during growth on different carbon sources, we show distinct transcriptional regulation of the two transhydrogenase promoters. Surprisingly, transhydrogenase regulation was independent of the actual catabolic overproduction or underproduction of NADPH but responded to nutrient levels and growth rate in a fashion that matches the cellular need for the redox cofactors NADPH and/or NADH. Specifically, the identified transcription factors Lrp, ArgP and Crp link transhydrogenase expression to particular amino acids and intracellular concentrations of cAMP. The overall identified set of regulators establishes a primarily biosynthetic role for PntAB and link UdhA to respiration.

  12. Ab initio study on the paths of oxygen abstraction of hydrogen trioxide

    Indian Academy of Sciences (India)

    Keywords. Ab initio calculations; atmospheric chemistry; hydrogen trioxide; acid rain. 1. Introduction. Processes such as volcanic eruptions, biogenic activi- ty, and the combustion of fossil fuels are resources for the emission of sulphur gases into the atmosphere. Sul- phur has been recognized as an important constituent of.

  13. Ab initio Molecular Orbital Studies of the Vibrational Spectra of some ...

    African Journals Online (AJOL)

    NJD

    2004-06-15

    Jun 15, 2004 ... The binary complexes formed between sulphur dioxide, as electron donor, and the series carbon dioxide, carbonyl sulphide and carbon disulphide, as electron acceptors, have been studied by means of ab initio molecular orbital theory. The optimized structures, the interaction energies and the vibrational ...

  14. Ab Initio Assessment of the Bonding in Disulfonates Containing Divalent Nitrogen and Phosphorus Atoms

    DEFF Research Database (Denmark)

    Andersen, Vinca Bonde; Berg, Rolf W.; Shim, Irene

    2017-01-01

    The iminodisulfonate, [N(SO3)2]3–, and phosphinodisulfonate, [P(SO3)2]3–, ions have been investigated by performing ab initio MP2/6-311+G**calculations. The nitrogen and phosphorus atoms as part of the ions are shown to be divalent with a negative charge and two lone pairs on the nitrogen and pho...

  15. Mapping Enzymatic Catalysis Using the Effective Fragment Molecular Orbital Method: Towards all ab initio Biochemistry

    DEFF Research Database (Denmark)

    Svendsen, Casper Steinmann; Jensen, Jan; Fedorov, Dmitri

    2013-01-01

    of chorismate mutase in less than four days using 80 cores on 20 nodes, where the whole system containing 2398 atoms is treated in the ab initio fashion without using any force fields. The reaction path is constructed automatically with the only assumption of defining the reaction coordinate a priori. We...

  16. F ield ef Serra fficacy atia ent of ino tomop organic hila AB K c carrie ...

    African Journals Online (AJOL)

    SAM

    application. Therefore, the isolate S. entomophila AB2, as a single biological agent for integrated nutrient manage- ment (INM) and integrated pest disease management. (IPDM) may have the potential to be a lucrative alterna- tive to inorganic amendments (fertilizer, pesticides and fungicides) in integrated crop management ...

  17. Study of electroless copper plating on ABS resin surface modified by ...

    Indian Academy of Sciences (India)

    Many types of plas- tics can be plated, including acrylonitrile–butadiene–styrene. (ABS) resin, which is among the most widely used polymer in industry because of their excellent toughness, good dimen- sional stability, good processability, chemical resistance and low cost (Harper and Petrie 2003). In order to improve the.

  18. Ab initio calculations of fundamental properties of SrTe1− xOx alloys

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 39; Issue 3. Ab initio ... Department of Physics, Faculty of Sciences, Badji Mokhtar University, P.O. Box 12, 23000 Annaba, Algeria; Laboratoire LPR, Département de Physique, Faculté des Sciences, Université Badji Mokhtar, Annaba, Algeria; Laboratoire de Physique et ...

  19. Phosphoric acid doped AB-PBI membranes and its applications in high temperature PEMFC

    DEFF Research Database (Denmark)

    He, Ronghuan; Qingfeng, Li; Bjerrum, Niels

    2005-01-01

    in a wide temperature range.. The conductivity of the acid doped ab-PBI membranes was studied in a temperature range of 80oC to 200oC under different relative humidity and with different acid doping levels. PEMFC test results indicated that the fuel cell could be operated at temperatures up to 200o...

  20. Loft CIS analysis 2''-LS-118-AB outside containment penetration S5-D

    International Nuclear Information System (INIS)

    Morton, D.K.

    1978-01-01

    A stress analysis was performed on the 2''-LS-118-AB pipe system outside containment penetration S5-D. Deadweight, thermal expansion, and seismic loads were considered. The results indicate that this piping will meet ASME Section III, Class 2 requirements provided a U-bolt (S4) is installed as indicated in this report

  1. Loft CIS analysis 2''-LS-118-AB outside containment penetration S5-D

    Energy Technology Data Exchange (ETDEWEB)

    Morton, D.K.

    1978-09-28

    A stress analysis was performed on the 2''-LS-118-AB pipe system outside containment penetration S5-D. Deadweight, thermal expansion, and seismic loads were considered. The results indicate that this piping will meet ASME Section III, Class 2 requirements provided a U-bolt (S4) is installed as indicated in this report.

  2. Calibration of the isomer shift for iodine resonant transition by ab initio calculations

    Czech Academy of Sciences Publication Activity Database

    Wdowik, U. D.; Legut, Dominik; Ruebenbauer, K.

    2010-01-01

    Roč. 114, č. 26 (2010), s. 7146-7152 ISSN 1089-5639 Institutional research plan: CEZ:AV0Z20410507 Keywords : ab initio * isomer shift of iodine * calibration * I127 * I129 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.732, year: 2010

  3. Ternary PC/ABS/PMMA blends - morphology and mechanical properties under quasi-static loading conditions

    Czech Academy of Sciences Publication Activity Database

    Rybníček, J.; Lach, R.; Grellmann, W.; Lapčíková, Monika; Šlouf, Miroslav; Kruliš, Zdeněk; Anisimov, E.; Hajek, J.

    2012-01-01

    Roč. 57, č. 2 (2012), s. 87-94 ISSN 0032-2725 R&D Projects: GA MŠk 2B06097 Institutional research plan: CEZ:AV0Z40500505 Keywords : compatibilizer * morphology * ternary blend Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.470, year: 2012 http://www.ichp.pl/Trojskladnikowa-mieszanina-PC_ABS_PMMA

  4. Ab initio ground state phenylacetylene-argon intermolecular potential energy surface and rovibrational spectrum

    DEFF Research Database (Denmark)

    Cybulski, Hubert; Fernandez, Berta; Henriksen, Christian

    2012-01-01

    We evaluate the phenylacetylene-argon intermolecular potential energy surface by fitting a representative number of ab initio interaction energies to an analytic function. These energies are calculated at a grid of intermolecular geometries, using the CCSD(T) method and the aug-cc-pVDZ basis set ...... Institute of Physics. [http://dx.doi.org/10.1063/1.4742153]...

  5. Adaptation of the ABS-S:2 for Use in Spain with Children with Intellectual Disabilities

    Science.gov (United States)

    Garcia Alonso, Isabel; De La Fuente Anuncibay, Raquel; Fernandez Hawrylak, Maria

    2010-01-01

    As there is a dearth of Spanish-language standardized scales that assess adaptive behavior in children and adolescents with intellectual disabilities (ID), the authors adapted one of the most widely used and studied scales of adaptive behavior in the U.S., the ABS-S:2 (Adaptive Behavior Scale-School, 2nd Edition), and validated it for use in…

  6. Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation

    Czech Academy of Sciences Publication Activity Database

    Ma, D.; Friák, Martin; von Pezold, J.; Raabe, D.; Neugebauer, J.

    2015-01-01

    Roč. 85, FEB (2015), s. 53-66 ISSN 1359-6454 Institutional support: RVO:68081723 Keywords : Solid-solution strengthening * DFT * Peierls–Nabarro model * Ab initio * Al alloys Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 5.058, year: 2015

  7. High accuracy ab initio calculations on reactions of OH with 1-alkenes. The case of propene

    Czech Academy of Sciences Publication Activity Database

    Izsák, R.; Szöri, Milan; Knowles, P. J.; Viskolcz, B.

    2009-01-01

    Roč. 5, č. 9 (2009), s. 2313-2321 ISSN 1549-9618 Institutional research plan: CEZ:AV0Z40550506 Keywords : multireference ab initio calculations * OH-addition * H-abstraction by OH Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.804, year: 2009

  8. Highly reddened Type Ia supernova SN 2004ab: another case of anomalous extinction

    Science.gov (United States)

    Chakradhari, N. K.; Sahu, D. K.; Anupama, G. C.; Prabhu, T. P.

    2018-02-01

    We present optical photometric and spectroscopic data for supernova SN 2004ab, a highly reddened normal Type Ia supernova. The total reddening is estimated as E(B - V) = 1.70 ± 0.05 mag. The intrinsic decline-rate parameter Δm15(B)true is 1.27 ± 0.05, and the B-band absolute magnitude at maximum MB^{max} is -19.31 ± 0.25 mag. The host galaxy NGC 5054 is found to exhibit anomalous extinction with a very low value of RV = 1.41 ± 0.06 in the direction of SN 2004ab. The peak bolometric luminosity is derived as log L_bol^max = 43.10 ± 0.07 erg s-1. The photospheric velocity measured from the absorption minimum of the Si II λ6355 line shows a velocity gradient of \\dot{v} = 90 km s-1 d-1, indicating that SN 2004ab is a member of the high velocity gradient (HVG) subgroup. The ratio of the strengths of the Si II λ5972 and λ6355 absorption lines, R(Si II), is estimated as 0.37, while their pseudo-equivalent widths suggest that SN 2004ab belongs to the broad line (BL) type subgroup.

  9. Non-adiabatic collisions in H + O2 system: An ab initio study

    Indian Academy of Sciences (India)

    WINTEC

    Abstract. An ab initio study on the low-lying potential energy surfaces of H+ + O2 system for different orientations (γ) of H+ have been undertaken employing the multi-reference configuration interaction. (MRCI) method and Dunning's cc-pVTZ basis set to examine their role in influencing the collision dyna- mics. Nonadiabatic ...

  10. Understanding hydration of Zn(2+) in hydrothermal fluids with ab initio molecular dynamics

    NARCIS (Netherlands)

    Liu, X.; Lu, X.; Wang, R.; Meijer, E.J.

    2011-01-01

    With ab initio molecular dynamics simulations, the free-energy profiles of hydrated Zn2+ are calculated for both gaseous and aqueous systems from ambient to supercritical conditions, and from the derived free-energy information, the speciation of hydrated Zn2+ has been revealed. It is shown that the

  11. Decreasing the chlorophyll a/b ratio in reconstituted LHCII: Structural and functional consequences

    NARCIS (Netherlands)

    Kleima, F.J.; Hobe, S.; Calkoen, F.; Urbanus, M.L.; Peterman, E.J.G.; van Grondelle, R.; Paulsen, H.; van Amerongen, H.

    1999-01-01

    Trimeric (bT) and monomeric (bM) light-harvesting complex II (LHCII) with a chlorophyll a/b ratio of 0.03 were reconstituted from the apoprotein overexpressed in Escherichia coli. Chlorophyll/xanthophyll and chlorophyll/protein ratios of bT complexes and 'native' LHCII are rather similar, namely,

  12. Electrical resistivity of NaPb compound-forming liquid alloy using ab ...

    Indian Academy of Sciences (India)

    pseudopotentials used have been shown in figure 5. Here pseudopotential v3 for the complex has been considered as a disposable parameter and we assume that v3(q) = v1(q)+v2(q). 2 for NaPb compound which is virtual atomic approxima- tion. Electronic configuration and pseudising core radii used to generate ab initio.

  13. An Efficient Method for Electron-Atom Scattering Using Ab-initio Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Yuan; Yang, Yonggang; Xiao, Liantuan; Jia, Suotang [Shanxi University, Taiyuan (China)

    2017-02-15

    We present an efficient method based on ab-initio calculations to investigate electron-atom scatterings. Those calculations profit from methods implemented in standard quantum chemistry programs. The new approach is applied to electron-helium scattering. The results are compared with experimental and other theoretical references to demonstrate the efficiency of our method.

  14. Study of Thermal Properties of Mixed (PP/EPR/ABS with Five Model Compatibilizers

    Directory of Open Access Journals (Sweden)

    Pierre Marcel Anicet Noah

    2016-01-01

    Full Text Available The influences of incorporating compatibilizers E-EA-MAH, E-MA-GMA, E-AM, SEBS KRATON G, or PP-g-MAH on the thermal properties of mixed (polypropylene/ethylene propylene rubber/acrylonitrile butadiene styrene (PP/EPR/ABS have been investigated. DSC investigations have revealed that the incorporation of 5% of ABS in the copolymer (PP/EPR does not fundamentally affect the thermal properties of the basic copolymer; additionally, the addition of 1.5% of each of the compatibilizers in the basic mixture does not significantly alter the crystallization temperature values and the melting of the -P- sequences. There is a variation of melting enthalpy values of the -P- sequences of 18.23% using SEBS KRATON G and of 10.38% using E-AM-GMA. When the rate of each of the compatibilizers increases to 5%, overall crystallization enthalpies of -P- sequences are almost kept unchanged, except for the case of using the compatibilizer E-AM-GMA with a variation of 8.42%. There is a minor variation of the melting enthalpy of -P- sequences with higher levels of compatibilizer. The incorporation of 5% ABS copolymer in the PP/EPR does not significantly alter the thermal properties of the basic structure of (PP/EPR/ABS.

  15. On the impact of `smart tyres' on existing ABS/EBD control systems

    Science.gov (United States)

    Cheli, Federico; Leo, Elisbetta; Melzi, Stefano; Sabbioni, Edoardo

    2010-12-01

    The paper focuses on the possibility of enhancing the performances of the ABS (Antilock Braking System)/EBD (electronic braking distribution) control system by using the additional information provided by 'smart tyres' (i.e. tyres with embedded sensors and digital-computing capability). In particular, on the basis of previous works [Braghin et al., Future car active controls through the measurement of contact forces and patch features, Veh. Syst. Dyn. 44 (2006), pp. 3-13], the authors assumed that these components should be able to provide estimates for the normal loads acting on the four wheels and for the tyre-road friction coefficient. The benefits produced by the introduction of these additional channels into the existing ABS/EBD control logic were evaluated through simulations carried out with a validated 14 degrees of freedom (dofs) vehicle + ABS/EBD control logic numerical model. The performance of the ABS control system was evaluated through a series of braking manoeuvres on straight track focusing the attention on μ -jump conditions, while the performance of the EBD control system was assessed by means of braking manoeuvres carried out considering several weight distributions.

  16. Ab Initio Calculations and Raman and SERS Spectral Analyses of Amphetamine Species

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Nørbygaard, Thomas; White, Peter C.

    2011-01-01

    . The spectra of amphetamine and amphetamine-H+ sampleswere obtained and assigned according to a comparison of the experimental spectra and the ab initio MO calculations, performed using the Gaussian 03W program (Gaussian, Inc., Pittsburgh, PA). The analyses were based on complete geometry minimization...

  17. A Comparison of Two Approaches to Training Visual Analysis of AB Graphs

    Science.gov (United States)

    Wolfe, Katie; Slocum, Timothy A.

    2015-01-01

    Visual analysis is the primary method of evaluating data in single-subject research. Few studies have evaluated interventions to teach visual analysis skills. The purpose of this study was to evaluate systematic instruction, delivered using computer-based intervention or a recorded lecture, on identifying changes in slope and level in AB graphs.…

  18. Study of electroless copper plating on ABS resin surface modified by ...

    Indian Academy of Sciences (India)

    Metallization of plastics is widely used today in various tech- nological fields from the fabrication of printed circuits in ... Palladium chloride and stannous chloride crystals were stored in a vacuum dessicator prior to use. .... ABS resin surface after the metallization process, according to the following equations, respectively a =.

  19. FEATURES OF RESOURCE TESTING OF THE HYDRAULIC BRAKE DRIVE ELEMENTS OF VEHICLES EQUIPPED WITH ABS

    Directory of Open Access Journals (Sweden)

    A. Revin

    2011-01-01

    Full Text Available The analysis of the resource testing facilities and methods of automobile brake cylinders in terms of ABS working process adequacy is carried out. A testing stand construction and a method of carrying out the resource testing of hydraulic drive elements of the automobile automated braking sys-tem is offered.

  20. Ab initio and work function and surface energy anisotropy of LaB6

    NARCIS (Netherlands)

    Uijttewaal, M. A.; de Wijs, G. A.; de Groot, R. A.

    2006-01-01

    Lanthanum hexaboride is one of the cathode materials most used in high-power electronics technology, but the many experimental results do not provide a consistent picture of the surface properties. Therefore, we report the first ab initio calculations of the work functions and surface energies of

  1. New ab initio based pair potential for accurate simulation of phase transitions in ZnO

    NARCIS (Netherlands)

    Wang, Shuaiwei; Fan, Zhaochuan; Koster, Rik S.; Fang, Changming; Van Huis, Marijn A.; Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W.; Vlugt, Thijs J H

    2014-01-01

    A set of interatomic pair potentials is developed for ZnO based on the partially charged rigid ion model (PCRIM). The derivation of the potentials combines lattice inversion, empirical fitting, and ab initio energy surface fitting. We show that, despite the low number of parameters in this model

  2. Mechanisms for catalytic carbon nanofiber growth studied by ab initio density functional theory calculations

    DEFF Research Database (Denmark)

    Abild-Pedersen, Frank; Nørskov, Jens Kehlet; Rostrup-Nielsen, Jens

    2006-01-01

    Mechanisms and energetics of graphene growth catalyzed by nickel nanoclusters were studied using ab initio density functional theory calculations. It is demonstrated that nickel step-edge sites act as the preferential growth centers for graphene layers on the nickel surface. Carbon is transported...

  3. Time-accurate AB-simulations of irregular coastal waves above bathymetry

    NARCIS (Netherlands)

    van Groesen, Embrecht W.C.; Andonowati, A.; Lee, Joseph Hun-Wei; Ng, Chiu-On

    2011-01-01

    In this contribution the performance is shown of a hybrid spectral-spatial implementation of the AB model for uni-directional waves above varying bottom. For irregular waves of JONSWAP-type, with peak periods of 9 and 12[s], significant wave height of 3[m], running from 30 to 15[m] depth over a 1:20

  4. Dispersion Interactions between Rare Gas Atoms: Testing the London Equation Using ab Initio Methods

    Science.gov (United States)

    Halpern, Arthur M.

    2011-01-01

    A computational chemistry experiment is described in which students can use advanced ab initio quantum mechanical methods to test the ability of the London equation to account quantitatively for the attractive (dispersion) interactions between rare gas atoms. Using readily available electronic structure applications, students can calculate the…

  5. 40 CFR Table 3 to Subpart Lllll of... - Requirements for Performance Tests a,b

    Science.gov (United States)

    2010-07-01

    ... particulate matter, total hydrocarbon, carbon monoxide, and carbon dioxide emission tests a. Select sampling... particulate matter, total hydrocarbon, carbon monoxide, and carbon dioxide emission tests Measure moisture... 40 Protection of Environment 13 2010-07-01 2010-07-01 false Requirements for Performance Tests a,b...

  6. Precise Ab-initio prediction of terahertz vibrational modes in crystalline systems

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd; Clark, Stewart J.

    2007-01-01

    We use a combination of experimental THz time-domain spectroscopy and ab-initio density functional perturbative theory to accurately predict the terahertz vibrational spectrum of molecules in the crystalline phase. Our calculations show that distinct vibrational modes found in solid-state materials...

  7. Escherichia coli mar and acrAB Mutants Display No Tolerance to Simple Alcohols

    Science.gov (United States)

    Ankarloo, Jonas; Wikman, Susanne; Nicholls, Ian A.

    2010-01-01

    The inducible Mar phenotype of Escherichia coli is associated with increased tolerance to multiple hydrophobic antibiotics as well as some highly hydrophobic organic solvents such as cyclohexane, mediated mainly through the AcrAB/TolC efflux system. The influence of water miscible alcohols ethanol and 1-propanol on a Mar constitutive mutant and a mar deletion mutant of E. coli K-12, as well as the corresponding strains carrying the additional acrAB deletion, was investigated. In contrast to hydrophobic solvents, all strains were killed in exponential phase by 1-propanol and ethanol at rates comparable to the parent strain. Thus, the Mar phenotype does not protect E. coli from killing by these more polar solvents. Surprisingly, AcrAB does not contribute to an increased alcohol tolerance. In addition, sodium salicylate, at concentrations known to induce the mar operon, was unable to increase 1-propanol or ethanol tolerance. Rather, the toxicity of both solvents was increased in the presence of sodium salicylate. Collectively, the results imply that the resilience of E. coli to water miscible alcohols, in contrast to more hydrophobic solvents, does not depend upon the AcrAB/TolC efflux system, and suggests a lower limit for substrate molecular size and functionality. Implications for the application of microbiological systems in environments containing high contents of water miscible organic solvents, e.g., phage display screening, are discussed. PMID:20480026

  8. Investigation of the Hydroxylation Mechanism of Noncoupled Copper Oxygenases by Ab Initio Molecular Dynamics Simulations

    Czech Academy of Sciences Publication Activity Database

    Meliá, C.; Ferrer, S.; Řezáč, Jan; Parisel, O.; Reinaud, O.; Moliner, V.; de la Lande, A.

    2013-01-01

    Roč. 19, č. 51 (2013), s. 17328-17337 ISSN 0947-6539 Institutional support: RVO:61388963 Keywords : ab initio calculations * copper * electron transfer * enzymes * molecular dynamics * reaction mechanisms Subject RIV: CC - Organic Chemistry Impact factor: 5.696, year: 2013

  9. Modelling and Development of Linear and Nonlinear Intelligent Controllers for Anti-lock Braking Systems (ABS

    Directory of Open Access Journals (Sweden)

    Mohammad Najeh Nemah

    2018-02-01

    Full Text Available Antilock braking systems (ABS are utilized as a part of advanced autos to keep the vehicle’s wheels from deadlocking when the brakes are connected. The control performance of ABS utilizing linear and nonlinear controls are cleared up in this research. In order to design the control system of ABS a nonlinear dynamic model of the antilock braking systems is derived relying upon its physical system. The dynamic model contains set of equations valid for simulation and control of the mechanical framework. Two different controllers technique is proposed to control the behaviors of ABS. The first one utilized the PID controller with linearized technique around specific point to control the nonlinear system, while the second one used the nonlinear discrete time controller to control the nonlinear mathematical model directly. This investigation contributes to more additional information for the simulation of the two controllers, and demonstrate a clear and reasonable advantage of the classical PID controller on the nonlinear discrete time controller in control the antilock braking system.

  10. Improvements to a five-phase ABS algorithm for experimental validation

    Science.gov (United States)

    Gerard, Mathieu; Pasillas-Lépine, William; de Vries, Edwin; Verhaegen, Michel

    2012-10-01

    The anti-lock braking system (ABS) is the most important active safety system for passenger cars. Unfortunately, the literature is not really precise about its description, stability and performance. This research improves a five-phase hybrid ABS control algorithm based on wheel deceleration [W. Pasillas-Lépine, Hybrid modeling and limit cycle analysis for a class of five-phase anti-lock brake algorithms, Veh. Syst. Dyn. 44 (2006), pp. 173-188] and validates it on a tyre-in-the-loop laboratory facility. Five relevant effects are modelled so that the simulation matches the reality: oscillations in measurements, wheel acceleration reconstruction, brake pressure dynamics, brake efficiency changes and tyre relaxation. The time delays in measurement and actuation have been identified as the main difficulty for the initial algorithm to work in practice. Three methods are proposed in order to deal with these delays. It is verified that the ABS limit cycles encircle the optimal braking point, without assuming any tyre parameter being a priori known. The ABS algorithm is compared with the commercial algorithm developed by Bosch.

  11. Ab initio study of solute transition-metal interactions with point defects in bcc Fe

    NARCIS (Netherlands)

    Olsson, P.; Klaver, T.P.C.; Domain, C.

    2010-01-01

    The properties of 3d, 4d, and 5d transition-metal elements in ?-Fe have been studied using ab initio density-functional theory. The intrinsic properties of the solutes have been characterized as well as their interaction with point defects. Vacancies and interstitials of (110) and (111) orientations

  12. Ab initio Calculations of Charge Symmetry Breaking in the A=4 Hypernuclei

    Czech Academy of Sciences Publication Activity Database

    Gazda, Daniel; Gal, A.

    2016-01-01

    Roč. 116, č. 12 (2016), s. 122501 ISSN 0031-9007 R&D Projects: GA ČR(CZ) GA15-04301S Institutional support: RVO:61389005 Keywords : ab initio * shell model * four-body calculations Subject RIV: BE - Theoretical Physics Impact factor: 8.462, year: 2016

  13. Ab initio Defect Energetics in LaBO3 Perovskite Solid Oxide Fuel Cell Materials

    DEFF Research Database (Denmark)

    Lee, Yueh-Lin; Morgan, Dane; Kleis, Jesper

    2009-01-01

    Perovskite materials of the form ABO3 are a promising family of compounds for use in solid oxide fuel cell (SOFC) cathodes. Study of the physics of these compounds under SOFC conditions with ab initio methods is particularly challenging due to high temperatures, exchange of oxygen with O2 gas...

  14. Possible Future Monoclonal Antibody (mAb-Based Therapy against Arbovirus Infections

    Directory of Open Access Journals (Sweden)

    Giuseppe Sautto

    2013-01-01

    Full Text Available More than 150 arboviruses belonging to different families are known to infect humans, causing endemic infections as well as epidemic outbreaks. Effective vaccines to limit the occurrence of some of these infections have been licensed, while for the others several new immunogens are under development mostly for their improvements concerning safety and effectiveness profiles. On the other hand, specific and effective antiviral drugs are not yet available, posing an urgent medical need in particular for emergency cases. Neutralizing monoclonal antibodies (mAbs have been demonstrated to be effective in the treatment of several infectious diseases as well as in preliminary in vitro and in vivo models of arbovirus-related infections. Given their specific antiviral activity as well-tolerated molecules with limited side effects, mAbs could represent a new therapeutic approach for the development of an effective treatment, as well as useful tools in the study of the host-virus interplay and in the development of more effective immunogens. However, before their use as candidate therapeutics, possible hurdles (e.g., Ab-dependent enhancement of infection, occurrence of viral escape variants must be carefully evaluated. In this review are described the main arboviruses infecting humans and candidate mAbs to be possibly used in a future passive immunotherapy.

  15. Electrical resistivity of NaPb compound-forming liquid alloy using ab ...

    Indian Academy of Sciences (India)

    The study of electrical resistivity of compound-forming liquid alloy, NaPb, is presented as a function of concentration. Hard sphere diameters of Na and Pb are obtained through the interionic pair potentials evaluated using Troullier and Martins ab initio pseudopotential, which have been used to calculate the partial structure ...

  16. Ab initio molecular dynamics simulation of hydrogen fluoride at several thermodynamic states

    DEFF Research Database (Denmark)

    Kreitmeir, M.; Bertagnolli, H.; Mortensen, Jens Jørgen

    2003-01-01

    Liquid hydrogen fluoride is a simple but interesting system for studies of the influence of hydrogen bonds on physical properties. We have performed ab initio molecular dynamics simulations of HF at several thermodynamic states, where we examine the microscopic structure of the liquid as well as ...

  17. Gas phase ion chemistry of coumarins: ab initio calculations used to ...

    African Journals Online (AJOL)

    The gas phase ion chemistry of coumarins using electron ionization (EI), positive chemical ionization (PCI) and negative chemical ionization (NCI) in a time of flight and quadrupole mass spectrometer (qMS) coupled to a gas chromatograph is outlined. The observations in NCI mode were complimented with Ab initio ...

  18. Neutron diffraction study of a nitrogen martensitic steel 0Kh16N4AB under load

    Czech Academy of Sciences Publication Activity Database

    Sumin, V. V.; Papushkin, I.V.; Bannykh, O.A.; Blinov, V.M.; Lukáš, Petr

    2008-01-01

    Roč. 105, č. 1 (2008), s. 88-91 ISSN 0031-918X Institutional research plan: CEZ:AV0Z10480505 Keywords : steel 0Kh16N4AB * neutron diffraction * FSD Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.412, year: 2008

  19. Ab initio prediction of vacancy properties in concentrated alloys : The case of fcc Cu-Ni

    NARCIS (Netherlands)

    Zhang, X.; Sluiter, M.H.F.

    2015-01-01

    Vacancy properties in concentrated alloys continue to be of great interest because nowadays ab initio supercell simulations reach a scale where even defect properties in disordered alloys appear to be within reach. We show that vacancy properties cannot generally be extracted from supercell total

  20. AB 540 Community College Students in Southern California: Making Connections and Realizing Dreams

    Science.gov (United States)

    Bleza, Michelle Gonzales

    2013-01-01

    This study applies the construct of institutional agents and the associated theories of social capital and social networking to understand the influence of institutional agents on Latino undocumented community college students who qualify for tuition equity in California under AB 540. The purpose of this study was to identify the issues these…

  1. Transgenic Cry1Ab rice does not impact ecological fitness and predation of a generalist spider.

    Directory of Open Access Journals (Sweden)

    Jun-Ce Tian

    Full Text Available BACKGROUND: The commercial release of rice genetically engineered to express a Cry1Ab protein from Bacillus thuringiensis (Bt for control of Lepidoptera in China is a subject of debate. One major point of the debate has focused on the ecological safety of Bt rice on nontarget organisms, especially predators and parasitoids that help control populations of insect pests. METHODOLOGY/PRINCIPAL FINDINGS: A tritrophic bioassay was conducted to evaluate the potential impact of Cry1Ab-expressing rice on fitness parameters of a predaceous ground spider (Pardosa pseudoannulata (Bösenberg et Strand that had fed on Bt rice-fed brown planthopper (Nilaparvata lugens (Stål nymphs. Survival, development time and fecundity of this spider were not different when they were fed with Bt rice-fed or non-Bt rice-fed prey. Furthermore, ELISA and PCR gut assays, as well as a functional response trial, indicated that predation by P. pseudoannulata was not significantly different in Bt rice or non-Bt rice fields. CONCLUSIONS/SIGNIFICANCE: The transgenic Cry1Ab rice lines tested in this study had no adverse effects on the survival, developmental time and fecundity of P. pseudoannulata in the laboratory or on predation under field conditions. This suggests that this important predator would not be harmed if transgenic Cry1Ab rice were commercialized.

  2. Quasi-classical trajectory study of the reaction H'+ HS on a new ab ...

    Indian Academy of Sciences (India)

    classical trajectory study of the reaction H' + HS on a new ab initio potential energy surface H2S (3A"). Jinghan Zou Shuhui Yin Dan Wu Mingxing Guo Xuesong Xu Hong Gao Lei Li Li Che. Volume 125 Issue 5 September 2013 pp 1237-1245 ...

  3. A fragment-based approach towards ab-initio treatment of polymeric ...

    Indian Academy of Sciences (India)

    Reshma S Pingale

    2017-06-20

    Jun 20, 2017 ... conquer'-type approach for the ab-initio studies of these polymeric systems. The method employs a fragmentation technique with independent fragment optimization for obtaining optimized geometries of the oligomers of various polymeric materials such as polyfuran, polypyrrole, polythiophene and other ...

  4. Erythema ab igne of shins: a kerosene stove-induced prototype in diabetics.

    Science.gov (United States)

    Milgrom, Y; Sabag, T; Zlotogorski, A; Heyman, S N

    2013-01-01

    A patient with erythema ab igne of shins is presented, caused by repeated thermal injury induced by a heating stove placed between the knees. This injury pattern has been repeatedly identified in diabetic patients involved in similar heating practice, underscoring a possible predisposition related to diabetic neuropathy.

  5. Two-component injection moulding simulation of ABS-POM micro structured surfaces

    DEFF Research Database (Denmark)

    Tosello, Guido; Hansen, Hans Nørgaard; Islam, Aminul

    2013-01-01

    a pair of thermoplastic materials (ABS and POM) were conducted. Three dimensional process simulations based on the finite element method have been performed to explore the capability of predicting filling pattern shape at component-level and surface micro feature-level in a polymer/polymer overmoulding...

  6. Ab initio výpočty v chemii po 28 letech

    Czech Academy of Sciences Publication Activity Database

    Čársky, Petr; Urban, M.

    2008-01-01

    Roč. 102, č. 10 (2008), s. 865-872 ISSN 0009-2770 Institutional research plan: CEZ:AV0Z40400503 Keywords : quantum chemistry * ab-initio calculation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.593, year: 2008

  7. Ab initio study of gas phase and water-assisted tautomerization of ...

    Indian Academy of Sciences (India)

    WINTEC

    Water-assisted tautomerization in maleimide and formamide showed that difference in energy barrier reduces to 2⋅83 kcal/mol from 10⋅41 kcal/mol (in gas phase) at B3LYP level, which resulted that maleimide readily undergoes tautomerization in water molecule. Keywords. Ab Initio calculations; maleimide; formamide; ...

  8. Radioimmunoimaging of nude mice bearing human lung adenocarcinoma xenografts after injecting 131I-McAbs

    International Nuclear Information System (INIS)

    Liu Liang

    1992-01-01

    Monoclonal antibodies (Lc86a-C5, Lc86a-H8) directed against human lung adenocarcinoma cell line LTEP-a-2 and normal BALB/c IgG were labelled with iodine-131 by chloramine T. The 131 I-McAbs and 131 I-IgG were respectively injected into the peritoneal cavities of nude mice bearing transplanted human lung adenocarcinoma cell line LTEP-a-2. After 72 h, the tumor tissue in nude mice injected with 131 I-McAbs was distinguishable from normal tissues as a very clear image obtained during gamma scintigraphy. No difference was found between tumor and normal tissues in the nude mice injected with 131 I-IgG. The tumor: blood ration was 3.1:1 in nude injected with 131 I McAb(H8) and 0.9:1 in nude mice injected with 131 I-IgG respectively. This indicates that the tumor tissue image was the result of specific binding of the 131 I-McAbs, which have high specificity and affinity both in vitro and in vivo, to tumor cells, and these monoclonal antibodies may serve as potential agents in tumor diagnosis and treatment

  9. Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift Predictions

    Czech Academy of Sciences Publication Activity Database

    Dračínský, Martin; Möller, H. M.; Exner, T. E.

    2013-01-01

    Roč. 9, č. 8 (2013), s. 3806-3815 ISSN 1549-9618 R&D Projects: GA ČR GA13-24880S Institutional support: RVO:61388963 Keywords : ab initio molecular dynamics * NMR spectroscopy * DFT calculations * hydration Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.310, year: 2013

  10. Ab initio molecular dynamics approach to a quantitative description of ion pairing in water

    Czech Academy of Sciences Publication Activity Database

    Pluhařová, Eva; Maršálek, Ondřej; Schmidt, B.; Jungwirth, Pavel

    2013-01-01

    Roč. 4, č. 23 (2013), s. 4177-4181 ISSN 1948-7185 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : ion pairing * charge transfer * water * ab initio molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.687, year: 2013

  11. Towards Type-Based Optimizations in Distributed Applications Using ABS and JAVA 8

    NARCIS (Netherlands)

    V.N. Serbanescu (Vlad); C. Nagarajagowda (Chetan); K. Azadbakht (Keyvan); F.S. de Boer (Frank); B. Nobakht (Behrooz); F. Pop; M. Potop-Butucaru

    2014-01-01

    htmlabstractIn this paper we present an API to support modeling applications with Actors based on the paradigm of the Abstract Behavioural Specification (ABS) language. With the introduction of JAVA 8, we expose this API through a JAVA library to allow for a high-level actor-based methodology for

  12. Ab initio calculation atomics ground state wave function for interactions Ion- Atom

    International Nuclear Information System (INIS)

    Shojaee, F.; Bolori zadeh, M. A.

    2007-01-01

    Ab initio calculation atomics ground state wave function for interactions Ion- Atom Atomic wave function expressed in a Slater - type basis obtained within Roothaan- Hartree - Fock for the ground state of the atoms He through B. The total energy is given for each atom.

  13. Mechanical properties of carbynes investigated by ab initio total-energy calculations

    DEFF Research Database (Denmark)

    Castelli, Ivano E.; Salvestrini, Paolo; Manini, Nicola

    2012-01-01

    As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab initio total-energy simulations. In particular, we evaluate their linear...... response to small longitudinal and bending deformations and their failure limits for longitudinal compression and elongation....

  14. One Size Fits All? Learning Conditions and Working Memory Capacity in "Ab Initio" Language Development

    Science.gov (United States)

    Sanz, Cristina; Lin, Hui-Ju; Lado, Beatriz; Stafford, Catherine A.; Bowden, Harriet W.

    2016-01-01

    The article summarizes results from two experimental studies (N = 23, N = 21) investigating the extent to which working memory capacity (WMC) intervenes in "ab initio" language development under two pedagogical conditions [± grammar lesson + input-based practice + explicit feedback]. The linguistic target is the use of morphosyntax to…

  15. Polyvalent horse F(Ab`)2 snake antivenom: Development of process ...

    African Journals Online (AJOL)

    USER

    2010-04-19

    Apr 19, 2010 ... 2Laboratório de Biologia do Reconhecer, Centro de Biociencias e Biotecnologia, Universidade Estadual do Norte. Fluminense – Darcy Ribeiro, Campos dos ... Flow chromatography, concentrated by molecular ultrafiltration and sterilized by filtration through 0.22 μm membranes. The resulting F(ab´)2 ...

  16. Designing neuro-fuzzy controller for electromagnetic anti-lock braking system (ABS) on electric vehicle

    Science.gov (United States)

    Pramudijanto, Josaphat; Ashfahani, Andri; Lukito, Rian

    2018-03-01

    Anti-lock braking system (ABS) is used on vehicles to keep the wheels unlocked in sudden break (inside braking) and minimalize the stop distance of the vehicle. The problem of it when sudden break is the wheels locked so the vehicle steering couldn’t be controlled. The designed ABS system will be applied on ABS simulator using the electromagnetic braking. In normal condition or in condition without braking, longitudinal velocity of the vehicle will be equal with the velocity of wheel rotation, so the slip ratio will be 0 (0%) and if the velocity of wheel rotation is 0 (in locked condition) then the wheels will be slip 1 (100%). ABS system will keep the value of slip ratio so it will be 0.2 (20%). In this final assignment, the method that is used is Neuro-Fuzzy method to control the slip value on the wheels. The input is the expectable slip and the output is slip from plant. The learning algorithm which is used is Backpropagation that will work by feedforward to get actual output and work by feedback to get error value with target output. The network that was made based on fuzzy mechanism which are fuzzification, inference and defuzzification, Neuro-fuzzy controller can reduce overshoot plant respond to 43.2% compared to plant respond without controller by open loop.

  17. RssAB signaling coordinates early development of surface multicellularity in Serratia marcescens.

    Directory of Open Access Journals (Sweden)

    Yu-Huan Tsai

    Full Text Available Bacteria can coordinate several multicellular behaviors in response to environmental changes. Among these, swarming and biofilm formation have attracted significant attention for their correlation with bacterial pathogenicity. However, little is known about when and where the signaling occurs to trigger either swarming or biofilm formation. We have previously identified an RssAB two-component system involved in the regulation of swarming motility and biofilm formation in Serratia marcescens. Here we monitored the RssAB signaling status within single cells by tracing the location of the translational fusion protein EGFP-RssB following development of swarming or biofilm formation. RssAB signaling is specifically activated before surface migration in swarming development and during the early stage of biofilm formation. The activation results in the release of RssB from its cognate inner membrane sensor kinase, RssA, to the cytoplasm where the downstream gene promoters are located. Such dynamic localization of RssB requires phosphorylation of this regulator. By revealing the temporal activation of RssAB signaling following development of surface multicellular behavior, our findings contribute to an improved understanding of how bacteria coordinate their lifestyle on a surface.

  18. Anti-GD2 mAb and Vorinostat synergize in the treatment of neuroblastoma

    NARCIS (Netherlands)

    Kroesen, M.; Bull, C.; Gielen, P.R.; Brok, I.C.; Armandari, I.; Wassink, M.; Looman, M.W.G.; Boon, L.; Brok, M.H.M.G.M. den; Hoogerbrugge, P.M.; Adema, G.J.

    2016-01-01

    Neuroblastoma (NBL) is a childhood malignancy of the sympathetic nervous system. For high-risk NBL patients, the mortality rate is still over 50%, despite intensive multimodal treatment. Anti-GD2 monoclonal antibody (mAB) in combination with systemic cytokine immunotherapy has shown clinical

  19. Ab initio and DFT study of Octanitrocubane. | Ejuh | Journal of the ...

    African Journals Online (AJOL)

    The molecular stability, structure, dipole moment, charge transfer, polarizability and energy of Octonitrocubane have been studied by using ab- initio Quantum Mechanical calculations. We have used the Restricted Hartree-Fock (RHF) and density functional Becke3LYP (B3LYP) theories by employing 6-31G, 6- 31++G** and ...

  20. Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties

    Czech Academy of Sciences Publication Activity Database

    Sandlöbes, S.; Pei, Z.; Friák, Martin; Zhu, L.-F.; Wang, F.; Zaefferer, S.; Raabe, D.; Neugebauer, J.

    2014-01-01

    Roč. 70, MAY (2014), s. 92-104 ISSN 1359-6454 Grant - others:GA MŠk(CZ) LM2010005 Institutional support: RVO:68081723 Keywords : Magnesium * Rare-earth elements * Ductility * Modeling * Ab initio Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.465, year: 2014

  1. Ab initio study of antiphase boundaries and stacking faults in L12 and DO22 compounds

    DEFF Research Database (Denmark)

    Rosengaard, N. M.; Skriver, Hans Lomholt

    1994-01-01

    We have performed ab initio calculations of the energies of antiphase boundaries as well as complex and superlattice intrinsic stacking faults in nine intermetallic compounds observed in the face-centered-cubic L1(2) and DO22 structures. The calculations were performed by means of a Green...

  2. Neglschisandrins A-B: Two New Dibenzocyclooctene Lignans from Schisandra neglecta

    Directory of Open Access Journals (Sweden)

    Chengzhi Huang

    2008-03-01

    Full Text Available Two new dibenzocyclooctene lignans, neglschisandrins A-B (1-2, were isolatedfrom the stems of Schisandra neglecta. Their structures and stereochemistries wereelucidated by spectroscopic methods, including 1D- and 2D-NMR and HR-ESI-MStechniques.

  3. Ab initio study of the bcc-hcp transformation in iron

    Czech Academy of Sciences Publication Activity Database

    Friák, Martin; Šob, Mojmír

    2008-01-01

    Roč. 77, č. 17 (2008), 174117/1-174117/7 ISSN 1098-0121 R&D Projects: GA MŠk OC 147; GA AV ČR IAA1041302 Institutional research plan: CEZ:AV0Z20410507 Keywords : ab initio calculations * phase transformations * iron Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.322, year: 2008

  4. Ab initio molecular dynamics study of the reaction of water with formaldehyde in sulfuric acid solution.

    NARCIS (Netherlands)

    Sprik, M.; Meijer, E.M.

    1998-01-01

    Ab initio molecular dynamics methods have been used to study the reaction mechanism of acidcatalyzed addition of water to formaldehyde in a model system of an aqueous solution of sulfuric acid. Using the method of constraints we find that an H

  5. Ab initio treatment of the chemical reaction precursor complex Br(2P)-HCN. 1. Adiabatic and diabatic potential surfaces

    NARCIS (Netherlands)

    Fishchuk, A.V.; Merritt, J.M.; Avoird, A. van der

    2007-01-01

    The three adiabatic potential surfaces of the Br(P-2)-HCN complex that correlate to the P-2 ground state of the Br atom were calculated ab initio. With the aid of a geometry-dependent diabatic mixing angle, also calculated ab initio, these adiabatic potential surfaces were transformed into a set of

  6. The end of a myth – Bt(Cry1Ab) maize does not harm green lacewings

    Science.gov (United States)

    A concern with Bt-transgenic insect-resistant plants is their potential to harm non-target organisms. Early studies reported that Cry1Ab-producing Bt maize and purified Cry1Ab harmed larvae of the green lacewing, Chrysoperla carnea. Although these effects could not be confirmed in subsequent studies...

  7. Phage-Mediated Competitive Chemiluminescent Immunoassay for Detecting Cry1Ab Toxin by Using an Anti-Idiotypic Camel Nanobody.

    Science.gov (United States)

    Qiu, Yulou; Li, Pan; Dong, Sa; Zhang, Xiaoshuai; Yang, Qianru; Wang, Yulong; Ge, Jing; Hammock, Bruce D; Zhang, Cunzheng; Liu, Xianjin

    2018-01-31

    Cry toxins have been widely used in genetically modified organisms for pest control, raising public concern regarding their effects on the natural environment and food safety. In this work, a phage-mediated competitive chemiluminescent immunoassay (c-CLIA) was developed for determination of Cry1Ab toxin using anti-idiotypic camel nanobodies. By extracting RNA from camels' peripheral blood lymphocytes, a naive phage-displayed nanobody library was established. Using anti-Cry1Ab toxin monoclonal antibodies (mAbs) against the library for anti-idiotypic antibody screening, four anti-idiotypic nanobodies were selected and confirmed to be specific for anti-Cry1Ab mAb binding. Thereafter, a c-CLIA was developed for detection of Cry1Ab toxin based on anti-idiotypic camel nanobodies and employed for sample testing. The results revealed a half-inhibition concentration of developed assay to be 42.68 ± 2.54 ng/mL, in the linear range of 10.49-307.1 ng/mL. The established method is highly specific for Cry1Ab recognition, with negligible cross-reactivity for other Cry toxins. For spiked cereal samples, the recoveries of Cry1Ab toxin ranged from 77.4% to 127%, with coefficient of variation of less than 9%. This study demonstrated that the competitive format based on phage-displayed anti-idiotypic nanobodies can provide an alternative strategy for Cry toxin detection.

  8. Struggling for Opportunity: Undocumented AB 540 Students in the Latina/o Education Pipeline. CSRC Research Report. Number 13

    Science.gov (United States)

    Huber, Lindsay Perez; Malagon, Maria C.; Solorzano, Daniel G.

    2009-01-01

    Assembly Bill 540 (AB 540) was passed into law by the California state legislature in October 2001 and was implemented on January 1, 2002. Under AB 540, an undocumented student pays resident (in-state) fees at California's public colleges and universities if the student 1) attended a high school in California for at least three years (schooling…

  9. Cytotoxicity and binding profiles of activated Cry1Ac and Cry2Ab to three insect cell lines

    Science.gov (United States)

    While Cry1Ac has been known to bind with larval midgut proteins cadherin, APN (amino peptidase N), ALP (alkaline phosphatase) and ABCC2 (ATP-binding cassette transporter subfamily C2), little is known about the receptors of Cry2Ab. To provide a clue to the receptors of Cry2Ab, we tested the baselin...

  10. Molecular cloning and functional analysis of Growth arrest and DNA damage-inducible 45 aa and ab (Gadd45aa and Gadd45 ab) in Ctenopharyngodon idella.

    Science.gov (United States)

    Fang, Yuan; Xu, Xiao-Yan; Shen, Yubang; Li, Jiale

    2018-03-29

    The Gadd45aa and Gadd45 ab genes are members of the Gadd45 family, which are critically involved in immunological and apoptosis functions. In this study, we isolated and characterized Gadd45aa and Gadd45 ab cDNA from grass carp (Ctenopharyngodon idella) (designated CiGadd45aa and CiGadd45 ab). The CiGadd45aa and CiGadd45 ab fragments spanned 1272 bp/1248 bp, which contained 474 bp/480 bp open reading frames encoding 157/159 amino acid proteins. BLAST analysis revealed that CiGadd45aa and CiGadd45 ab shared high similarity with known Gadd45a sequences. qRT-PCR analysis showed widespread and abundant expression of CiGadd45aa in gill, intestine, kidney, brain, blood, skin and fin, but low in liver, spleen, head kidney, heart, and muscle. CiGadd45 ab was expressed highly in liver, spleen and blood but at low levels in gill, intestine, kidney, head kidney, heart, brain, skin, muscle, and fin. Following challenge of grass carp with Aeromonas hydrophila, CiGadd45aa and CiGadd45 ab expression was upregulated. In immune-relevant tissues and MAPK family genes (p38, JNK and ERK) were upregulated by CiGadd45aa and CiGadd45 ab overexpression and partly downregulated by interfered in the CIK grass carp kidney cell line. In addition, transcription of the cytokine-encoding il-8 gene was upregulated/downregulated by CiGadd45aa and CiGadd45 ab overexpression and interference. These results suggest that CiGadd45aa and CiGadd45 ab play roles in innate immune responses against A. hydrophila in grass carp. Copyright © 2018 Elsevier Ltd. All rights reserved.

  11. Overexpression of MexAB-OprM efflux pump in carbapenem-resistant Pseudomonas aeruginosa.

    Science.gov (United States)

    Pan, Ya-Ping; Xu, Yuan-Hong; Wang, Zhong-Xin; Fang, Ya-Ping; Shen, Ji-Lu

    2016-08-01

    Efflux pump systems are one of the most important mechanisms conferring multidrug resistance in Pseudomonas aeruginosa. MexAB-OprM efflux pump is one of the largest multi-drug resistant efflux pumps with high-level expression, which is controlled by regulatory genes mexR, nalC, and nalD. This study investigated the role of efflux pump MexAB-OprM in 75 strains of carbapenem-resistant P. aeruginosa and evaluated the influence of point mutation of the regulatory genes. The minimum inhibitory concentrations of imipenem and meropenem, with or without MC207110, an efflux pump inhibitor, were determined by agar dilution method to select the positive strains for an overexpressed active efflux pump. Carba NP test and EDTA-disk synergy test were used for the detection of carbapenemase and metallo-β-lactamases, respectively. The gene mexA, responsible for the fusion protein structure, and the reference gene rpoD of the MexAB-OprM pump were amplified by real-time PCR. The quantity of relative mRNA expression was determined simultaneously. By PCR method, the efflux regulatory genes mexR, nalC, and nalD and outer membrane protein OprD2 were amplified for the strains showing overexpression of MexAB-OprM and subsequently analyzed by BLAST. Among the 75 P. aeruginosa strains, the prevalence of efflux pump-positive phenotype was 17.3 % (13/75). Carba NP test and EDTA-disk synergy test were all negative in the 13 strains. PCR assay results showed that ten strains overexpressed the MexAB-OprM efflux pump and were all positive for the regulatory genes mexR, nalC, and nalD. Sequence analysis indicated that of the ten isolates, nine had a mutation (Gly → Glu) at 71st amino acid position in NalC, and eight also had a mutation (Ser → Arg) at 209th position in NalC. Only one strain had a mutation (Thr → Ile) at the 158th amino acid position in NalD, whereas eight isolates had mutations in MexR. In conclusion, overexpression of efflux pump MexAB-OprM plays an important role in

  12. Fluorescence quenching dynamics and mechanism of cry1ab toxin from bacillus thuringiensis by different metal ions

    International Nuclear Information System (INIS)

    Zhou, X.; Zhang, J.

    2016-01-01

    The reaction dynamics of Cry1Ab toxin from Bacillus thuringiensis with sodium, calcium and lead ions was studied by fluorescence quenching technique. Gradual quenching was observed by titration of Cry1Ab toxin with metal ions (Na+, Ca/sup 2+/ or Pb/sup 2+/). The quenched strength of these ions in the descending order was: lead ion > calcium ion > sodium ion. The quenching equilibrium of Cry1Ab toxin by metal ions reached within 60 min, and the quenching dynamics of Cry1Ab toxin could be expressed by the Elovich model. The toxin concentration, pH and temperature had influence on the quenching dynamics. The interaction between Cry1Ab toxin and metal ions is based on static quenching mechanism. (author)

  13. Ionizing radiation effect study by electron beam on acrylonitrile butadiene styrene - ABS terpolymer

    International Nuclear Information System (INIS)

    Landi, Tania Regina Lourenco

    2003-01-01

    The great advantage in the researches involving development has as objective to increase significantly the quality of the products. The ABS (acrylonitrile, butadiene, styrene) resins are terpolymers formed by an elastomer and two thermoplastics amorphous components. The three different monomeric units from the terpolymer ABS contribute separately to the material characteristics exhibited. The molecular stiffness originating from polystyrene and the benzene ring hanging on the chain is responsible for the flexion module ABS. The acrylonitrile and the styrene incorporated butadiene exercises strong influence in the resistance to the impact because it reduces the bonding among them. The engineering use of this terpolymer became important due their mechanical properties and mainly, for the responses of this to tensions or deformations applied. The polymeric materials, when submitted to the ionizing radiation are modified by the transference of energy to these materials, introducing excitation and ionization of the molecules, generating chemical reactions that can produce permanent modifications in the polymeric physicochemical structure. The induced modifications can result in the polymeric material degradation or crosslinking, which can result in the improvement of some properties. This work has, as objective, to study the electron beam ionizing radiation effect, at different doses, in the properties of the polymer ABS. The studied properties were: tensile strength at break, elongation at break, Izod impact strength, flexural strength, melt flow index, Vicat softening temperature and the thermic distortion temperature. Also researches on Differential Scanning Calorimetry (DSC) and Thermogravimetric Analyses (TGA) were accomplished. From the experimental results, it was showed that for doses until 500 kGy, at 22.6 kGy/s dose rate, in the presence of air, the crosslinking process of ABS prevails. (author)

  14. [Antibiotic stewardship (ABS). Definition, contents, necessity and practice on examples of current clinical-urological controversies].

    Science.gov (United States)

    Schneidewind, L; Kranz, J; Boehm, K; Spachmann, P; Siegel, F; Huck, N; Fritsche, H M

    2016-04-01

    Infectious diseases caused by multi-resistant pathogens are increasing worldwide and are posing a challenge to German urology as well. Furthermore, there is a limited perspective of new antibiotic developments. One way out of this dilemma is a differentiated handling and use of antibiotics (antibiotic stewardship, ABS). The aim of this review is to identify key issues in modern urological antibiotic therapy, which can be considered as exemplary for the whole topic of ABS. This includes a review of the current data of the individual topics, including thought-provoking impulse for future clinical application and research. The research group "infectious diseases" of GeSRU Academics identified the following central topics: excessive use of fluoroquinolones, diagnosis and treatment of urethritis and perioperative antibiotic prophylaxis. Subsequently, we performed a literature research in MEDLINE to uncover controversies and open questions of the individual topics within the meaning of ABS. The analysis of modern antibiotic therapy in urology shows numerous open questions in all quality dimensions of ABS: structural quality (e.g. through improved training of medical staff in the differentiated use of antibiotics), process quality (e.g. by improved adherence to existing infectiological guidelines, here in particular the perioperative prophylaxis and therapy of urethritis) and outcome (e.g. by detection of resistance rates and infection rates). The overarching and common goal is to avoid a post-antibiotic era. ABS programmes and a 10-point plan of the federal government are considered positive political developments in this area but do not release the individual urologist from a personal responsibility as part of his daily routine. A critical analysis of the topic "antibiotic treatment" is essential.

  15. ESR Studies and Dating of Egyptian Gypsum at Ras Mala'ab, Sinai, Egypt

    International Nuclear Information System (INIS)

    Abdel-Monem, A. A.; Abdei-Razek, Y. A.; Rasheed, N. M.; Hassan, G.M.; Eissa, H.M.; El-Morsy, M.

    2007-01-01

    A gypsum sample from the famous gypsum-anhydrite evaporitic deposit composing the Ras Mala'ab Formation, Upper Miocene, occurring at Ras Mala'ab, on the east coast of the Gulf of Suez, was subjected to (ESR) dosimetric studies. Also, (ESR) was used to date the formation or most recent recrystallization of that gypsum. The gypsum derivative (ESR) spectrum is characterized by the large broad Fe 2+ signal (g=2.50) and HF-sixtet Mn 2+ signals. Only the characteristic gypsum signal (G l, g=2.0040) was detected between the third and fourth lines of the HF-Mn 2+ which is attributed to the electron-center SO 3 - . This signal was sensitive to artificial γ-irradiation and showed significant enhancement using a γ-dose of 550 Gy. Also, the signal was very stable up to 400 o C. The gypsum sample with a total dose (TD) of 1500 Gy, determined graphically by extrapolating the linear relationship between defect concentration and the artificial γ-doses for (G l, g=2.0040) and an annual dose (D) due to cosmic rays (0.3 mGy), yielded an age of 5.00 Ma. This could mean the age of formation or latest recrystallization of this gypsum deposit. The geologic age assignment of the Ras Mala'ab Group including the evaporitic gypsum unit, is Middle to Late Miocene. It is directly overlain by the Pliocene elastics at the locality of Ras Mala'ab. This might suggest that these evaporitic gypsum facies represent the top of the Miocene in the Gulf of Suez area, since the Miocene-Pliocene boundary is now put at 5.00-5.50 Ma ago. Therefore, the ESR age of the Ras Mala'ab gypsum is consistent with the geologic age assignment

  16. Combined clear corneal phacoemulsification and ab interno trabeculectomy: three-year case series.

    Science.gov (United States)

    Ferrari, Ettore; Bandello, Francesco; Roman-Pognuz, Derri; Menchini, Francesca

    2005-09-01

    To evaluate the efficacy and safety of a novel surgical approach, ab interno trabeculectomy, in a combined procedure (clear corneal phacoemulsification + ab interno trabeculectomy) for the management of concurrent cataract and glaucoma with prognostic factors for filtration failure. Department of Ophthalmology, Palmanova Hospital, Udine, Italy. A prospective noncomparative case series of 11 eyes of 11 consecutive cataract patients with medically uncontrolled primary open-angle glaucoma or pseudoexfoliation glaucoma was performed. Each patient had phacoemulsification + intraocular lens implantation + ab interno trabeculectomy, which consisted of a gonioscopically controlled ab interno removal of a quadrant (3 clock hours) of the trabecular meshwork. The main outcome measures were intraocular pressure (IOP), the number of antiglaucomatous medications used, and complications. Ten patients completed a 3-year follow-up. One patient had further surgery because of poor IOP control; in this case, the last valid observation was carried forward for IOP calculation. Mean preoperative IOP and IOPs measured 1, 3, 6, 12, 24, and 36 months after surgery were 25.0, 15.8, 15.4, 15.4, 15.2, 15.0, and 15.3 (-38.56%) mm Hg respectively. The number of medications averaged 2.4 before surgery and dropped to 0.8 at the end of follow-up. No major complications occurred during the follow-up period. The new surgical procedure combining phacoemulsification with ab interno trabeculectomy can induce a clinically relevant decrease in IOP in eyes with cataract and glaucoma with poor prognosis for filtering surgery. However, a randomized controlled clinical trial with a more extended follow-up and a larger series of patients is needed to ascertain the actual effectiveness and safety of this procedure.

  17. Highly Specific and Effective Targeting of EGFRvIII-Positive Tumors with TandAb Antibodies.

    Science.gov (United States)

    Ellwanger, Kristina; Reusch, Uwe; Fucek, Ivica; Knackmuss, Stefan; Weichel, Michael; Gantke, Thorsten; Molkenthin, Vera; Zhukovsky, Eugene A; Tesar, Michael; Treder, Martin

    2017-01-01

    To harness the cytotoxic capacity of immune cells for the treatment of solid tumors, we developed tetravalent, bispecific tandem diabody (TandAb) antibodies that recognize EGFRvIII, the deletion variant III of the epidermal growth factor receptor (EGFR), and CD3 on T-cells, thereby directing immune cells to eliminate EGFRvIII-positive tumor cells. Using phage display, we identified scFv antibodies selectively binding to EGFRvIII. These highly EGFRvIII-specific, fully human scFv were substantially improved by affinity maturation, achieving K D s in the picomolar range, and were used to construct a set of bispecific EGFRvIII-targeting TandAbs with a broad range of binding and cytotoxic properties. These antibodies exhibited an exquisite specificity for a distinguished epitope in the N-terminal portion of EGFRvIII, as shown on recombinant antigen in Western Blot, SPR, and ELISA, as well as on antigen-expressing cells in FACS assays, and did not bind to the wild-type EGFR. High-affinity EGFRvIII/CD3 TandAbs were most potent in killing assays, displaying cytotoxicity toward EGFRvIII-expressing CHO, F98 glioma, or human DK-MG cells with EC 50 values in the range of 1-10 pM in vitro . They also demonstrated dose-dependent growth control in vivo in an EGFRvIII-positive subcutaneous xenograft tumor model. Together with the tumor-exclusive expression of EGFRvIII, the EGFRvIII/CD3 TandAbs' high specificity and strictly target-dependent activation with no off-target activity provide an opportunity to target tumor cells and spare normal tissues, thereby reducing the side effects associated with other anti-EGFR therapies. In summary, EGFRvIII/CD3 TandAbs are highly attractive therapeutic antibody candidates for selective immunotherapy of EGFRvIII-positive tumors.

  18. Production and characterization of monoclonal antibodies (mAbs) against human serum albumin (HSA) for the development of an immunoaffinity system with oriented anti-HSA mAbs as immobilized ligand.

    Science.gov (United States)

    Rajak, Poonam; Vijayalakshmi, M A; Jayaprakash, N S

    2013-05-05

    Proteins present in human serum are of immense importance in the field of biomarker discovery. But, the presence of high-abundant proteins like albumin makes the analysis more challenging because of masking effect on low-abundant proteins. Therefore, removal of albumin using highly specific monoclonal antibodies (mAbs) can potentiate the discovery of low-abundant proteins. In the present study, mAbs against human serum albumin (HSA) were developed and integrated in to an immunoaffinity based system for specific removal of albumin from the serum. Hybridomas were obtained by fusion of Sp2/0 mouse myeloma cells with spleen cells from the mouse immunized with HSA. Five clones (AHSA1-5) producing mAbs specific to HSA were established and characterized by enzyme linked immunosorbent assay (ELISA) and immunoblotting for specificity, sensitivity and affinity in terms of antigen binding. The mAbs were able to bind to both native albumin as well as its glycated isoform. Reactivity of mAbs with different mammalian sera was tested. The affinity constant of the mAbs ranged from 10(8) to 10(9)M(-1). An approach based on oriented immobilization was followed to immobilize purified anti-HSA mAbs on hydrazine activated agarose gel and the dynamic binding capacity of the column was determined. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. Thyroglobulin (Tg) Testing Revisited: Tg Assays, TgAb Assays, and Correlation of Results With Clinical Outcomes.

    Science.gov (United States)

    Netzel, Brian C; Grebe, Stefan K G; Carranza Leon, B Gisella; Castro, M Regina; Clark, Penelope M; Hoofnagle, Andrew N; Spencer, Carole A; Turcu, Adina F; Algeciras-Schimnich, Alicia

    2015-08-01

    Measurement of thyroglobulin (Tg) by mass spectrometry (Tg-MS) is emerging as a tool for accurate Tg quantification in patients with anti-Tg autoantibodies (TgAbs). The objective of the study was to perform analytical and clinical evaluations of two Tg-MS assays in comparison with immunometric Tg assays (Tg-IAs) and Tg RIAs (Tg-RIAs) in a cohort of thyroid cancer patients. A total of 589 samples from 495 patients, 243 TgAb-/252 TgAb+, were tested by Beckman, Roche, Siemens-Immulite, and Thermo-Brahms Tg and TgAb assays, two Tg-RIAs, and two Tg-MS assays. The frequency of TgAb+ was 58%, 41%, 27%, and 39% for Roche, Beckman, Siemens-Immulite, and Thermo-Brahms, respectively. In TgAb- samples, clinical sensitivities and specificities of 100% and 74%-100%, respectively, were observed across all assays. In TgAb+ samples, all Tg-IAs demonstrated assay-dependent Tg underestimation, ranging from 41% to 86%. In TgAb+ samples, the use of a common cutoff (0.5 ng/mL) for the Tg-MS, three Tg-IAs, and the USC-RIA improved the sensitivity for the Tg-MSs and Tg-RIAs when compared with the Tg-IAs. In up to 20% of TgAb+ cases, Tg-IAs failed to detect Tg that was detectable by Tg-MS. In Tg-RIAs false-high biases were observed in TgAb+ samples containing low Tg concentrations. Tg-IAs remain the method of choice for Tg quantitation in TgAb- patients. In TgAb+ patients with undetectable Tg by immunometric assay, the Tg-MS will detect Tg in up to 20% additional cases. The Tg-RIA will detect Tg in approximately 35% cases, but a significant proportion of these will be clinical false-positive results. The undetectable Tg-MS seen in approximately 40% of TgAb+ cases in patients with disease need further evaluation.

  20. Experimental study of biotin-avidin pretargeting technique for anti-CEA McAb radioimmunoimaging

    International Nuclear Information System (INIS)

    Sun Jianzhong; Zhu Chengmo; Guan Liang; Li Biao; Zhang Jixian; Shi Ailan; Zhang Suyin

    1996-01-01

    Biotin-avidin pretargeting technique was used in promoting the diagnostic efficacy of anti-CEA McAb radioimmunoimaging. CEA McAb was conjugated with biotin McAb (B-McAb), streptavidin (SA) was labeled with 131 I ( 131 I-SA) and DTPA-biotin with 111 In( 111 In-DTPA-B). Experimental human colonic tumor bearing nude mice were used. Two step method: B-McAb was preinjected, followed by 131 I SA 48h later, 24, 48, 96 and 120 h postinjection, γ-imaging and biodistribution were studied. Three step method: B-McAb was preinjected, followed by cold SA 24h later and 111 In-DTPA-B another 24h later. 2,6,24 and 48h postinjection, γ-imaging and biodistribution were also studied. Two step method: T/NT of all organs in experimental group was significantly increased compared with controls. The blood T/NT in experimental group and control group at 24 and 120h was 1.11:0.42 and 8.58:3.51, respectively. Tumor % ID/g in all organs slightly decreased compared with direct group. In γ-imaging radioactivity has been accumulated in tumor site as early as 24h, while only slightly visualized or non-visualized in controls. Three step method: in experimental group the blood T/NT reached 4.19 at 2 h, whereas all was < 1.37 at each phase of controls, the T/NT of all organs was also higher in experimental grouped than in controls. The tumor % ID/g in experimental group was 9.72% at 2h and 3.65% at 48h whereas % ID/g in controls in all phases was <3.07. The tumor clearly visualized at 2h and clearer at 48h in γ-imaging. In controls, the tumor was slightly visualized also to early stage, but faded away later on. Biotin-avidin pretargeting technique can elevate the T/NT ratio and decrease the blood background. Early imaging was obtained with better imaging quality

  1. Serious Gaming for Test & Evaluation of Clean-Slate (Ab Initio) National Airspace System (NAS) Designs

    Science.gov (United States)

    Allen, B. Danette; Alexandrov, Natalia

    2016-01-01

    Incremental approaches to air transportation system development inherit current architectural constraints, which, in turn, place hard bounds on system capacity, efficiency of performance, and complexity. To enable airspace operations of the future, a clean-slate (ab initio) airspace design(s) must be considered. This ab initio National Airspace System (NAS) must be capable of accommodating increased traffic density, a broader diversity of aircraft, and on-demand mobility. System and subsystem designs should scale to accommodate the inevitable demand for airspace services that include large numbers of autonomous Unmanned Aerial Vehicles and a paradigm shift in general aviation (e.g., personal air vehicles) in addition to more traditional aerial vehicles such as commercial jetliners and weather balloons. The complex and adaptive nature of ab initio designs for the future NAS requires new approaches to validation, adding a significant physical experimentation component to analytical and simulation tools. In addition to software modeling and simulation, the ability to exercise system solutions in a flight environment will be an essential aspect of validation. The NASA Langley Research Center (LaRC) Autonomy Incubator seeks to develop a flight simulation infrastructure for ab initio modeling and simulation that assumes no specific NAS architecture and models vehicle-to-vehicle behavior to examine interactions and emergent behaviors among hundreds of intelligent aerial agents exhibiting collaborative, cooperative, coordinative, selfish, and malicious behaviors. The air transportation system of the future will be a complex adaptive system (CAS) characterized by complex and sometimes unpredictable (or unpredicted) behaviors that result from temporal and spatial interactions among large numbers of participants. A CAS not only evolves with a changing environment and adapts to it, it is closely coupled to all systems that constitute the environment. Thus, the ecosystem that

  2. Nanocomposites of PA6/ABS blends compatibilized with styrene-maleic anhydride copolymer;Nanocompositos de blendas de PA6/ABS compatibilizadas com copolimero estireno-anidrido maleico

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Amanda D. de, E-mail: amandaengmat@yahoo.com.b [Universidade Federal de Sao Carlos (PPG-CEM/UFSCar), SP (Brazil). Programa de Pos-Graduacao em Ciencia e Engenharia de Materiais; Araujo, Edcleide M. [Universidade Federal de Campina Grande (UFCG), PB (Brazil); Pessan, Luiz A. [Universidade Federal de Sao Carlos (DEMa/UFSCar), SP (Brazil). Dept. de Engenharia de Materiais

    2009-07-01

    To achieve a balance between stiffness and toughness, ternary nanocomposites based on blends of polyamide 6 (PA6) and acrylonitrile-butadiene-styrene (ABS) were prepared by the melt intercalation using the organoclay Cloisite{sup R} 30B (OMMT) and the styrene-maleic anhydride copolymer (SMA) as compatibilizer. Four blending sequences were used to prepare studied systems and their mechanical properties studied through the Young's modulus and notched Izod impact. It was observed that the materials prepared by all blending sequences studied showed an increase in the Young's modulus compared to the neat PA6. However, a decrease in the toughness was observed for the systems with the addition of the organoclay. The DRX results showed an intercalated structure for the some systems that used ABS in their compositions. HDT measurements of the nanocomposites showed an increase in this property compared to the neat PA6. The use of nanoclay lead to a reinforcement of the polymeric matrix. (author)

  3. Effects of goat manure liquid fertilizer combined with AB-MIX on foliage vegetables growth in hydroponic

    Science.gov (United States)

    Sunaryo, Y.; Purnomo, D.; Darini, M. T.; Cahyani, V. R.

    2018-03-01

    Hydroponic as one of the protected cultivation practices is very important to be developed in Indonesia due to not only the reduction of arable agricultural lands in lines with increasing of residential demand and other public facilities but also due to the negative influences of climate change as well global warming to plant growth. The effects of liquid fertilizer made from goat manure (LFGM) in combination with AB-Mix on three kinds of foliage vegetable growth was examined in hydroponics. The research was conducted by 3 x 4 factorial experiment and arranged in Completely Randomized Design with 3 replications. The first factor was foliage vegetable consisting of 3 levels: Mustard Green, Lettuce, and Red Spinach. The second factor was the mixture composition of nutrient solution consisting of 4 levels: LFGM + AB-Mix (v/v: 1:1), LFGM + AB-Mix (v/v: 1:3), LFGM + AB-Mix (v/v: 3:1), and A/B mix as control. Results indicated that the application of LFGM + AB-Mix (v/v: 1:3) resulted in similar plant growth as control (AB-Mix application), and also resulted in the highest chlorophyll content of Mustard green.

  4. The Staphylococcal Toxins γ-Hemolysin AB and CB Differentially Target Phagocytes by Employing Specific Chemokine Receptors

    Science.gov (United States)

    Spaan, András N.; Vrieling, Manouk; Wallet, Pierre; Badiou, Cédric; Reyes-Robles, Tamara; Ohneck, Elizabeth A.; Benito, Yvonne; de Haas, Carla J.C.; Day, Christopher J.; Jennings, Michael P.; Lina, Gérard; Vandenesch, François; van Kessel, Kok P.M.; Torres, Victor J.; van Strijp, Jos A.G.; Henry, Thomas

    2014-01-01

    Evasion of the host phagocyte response by Staphylococcus aureus is crucial to successful infection with the pathogen. γ-Hemolysin AB and CB (HlgAB, HlgCB) are bicomponent pore-forming toxins present in almost all human S. aureus isolates. Cellular tropism and contribution of the toxins to S. aureus pathophysiology are poorly understood. Here, we identify the chemokine receptors CXCR1, CXCR2 and CCR2 as targets for HlgAB, and the complement receptors C5aR and C5L2 as targets for HlgCB. The receptor expression patterns allow the toxins to efficiently and differentially target phagocytic cells. Murine neutrophils are resistant to HlgAB and HlgCB. CCR2 is the sole murine receptor orthologue compatible with γ-Hemolysin. In a murine peritonitis model, HlgAB contributes to S. aureus bacteremia in a CCR2-dependent manner. HlgAB-mediated targeting of CCR2+ cells highlights the involvement of inflammatory macrophages during S. aureus infection. Functional quantification identifies HlgAB and HlgCB as major secreted staphylococcal leukocidins. PMID:25384670

  5. The identification and characterization of nucleic acid chaperone activity of human enterovirus 71 nonstructural protein 3AB.

    Science.gov (United States)

    Tang, Fenfen; Xia, Hongjie; Wang, Peipei; Yang, Jie; Zhao, Tianyong; Zhang, Qi; Hu, Yuanyang; Zhou, Xi

    2014-09-01

    Human enterovirus 71 (EV71) belongs to the genus Enterovirus in the family Picornaviridae and has been recognized as one of the most important pathogens that cause emerging infectious disease. Despite of the importance of EV71, the nonstructural protein 3AB from this virus is little understood for its function during EV71 replication. Here we expressed EV71 3AB protein as recombinant protein in a eukaryotic expression system and uncovered that this protein possesses a nucleic acid helix-destabilizing and strand annealing acceleration activity in a dose-dependent manner, indicating that EV71 3AB is a nucleic acid chaperone protein. Moreover, we characterized the RNA chaperone activity of EV71 3AB, and revealed that divalent metal ions, such as Mg(2+) and Zn(2+), were able to inhibit the RNA helix-destabilizing activity of 3AB to different extents. Moreover, we determined that 3B plus the last 7 amino acids at the C-terminal of 3A (termed 3B+7) possess the RNA chaperone activity, and five amino acids, i.e. Lys-80, Phe-82, Phe-85, Tyr-89, and Arg-103, are critical and probably the active sites of 3AB for its RNA chaperone activity. This report reveals that EV71 3AB displays an RNA chaperone activity, adds a new member to the growing list of virus-encoded RNA chaperones, and provides novel knowledge about the virology of EV71. Copyright © 2014 Elsevier Inc. All rights reserved.

  6. Marker-assisted selection on E. coli F4ab/ac resistance and the effect on neonatal survival in piglets

    DEFF Research Database (Denmark)

    Jørgensen, Claus Bøttcher; Anderson, Susan I.; Cirera, Susanna

    Enterotoxigenic Escherichia coli (ETEC) that express the F4ab or F4ac fimbriae (formerly known as K88ab/ac) are major causes of diarrhea and death in neonatal and young pigs. A locus controlling susceptibility towards ETEC F4ab/ac has previously been mapped to pig chromosome 13q41. A number...

  7. Impact of enrofloxacin and florfenicol therapy on the spread of OqxAB gene and intestinal microbiota in chickens.

    Science.gov (United States)

    Chen, Yi; Sun, Jian; Liao, Xiao-Ping; Shao, Yang; Li, Liang; Fang, Liang-Xing; Liu, Ya-Hong

    2016-08-30

    Horizontal transfer of plasmid-encoded multidrug-resistant determinants is a major health problem and has attracted much public attention. We studied the dissemination of the efflux pump gene oqxAB located on transferable plasmid pHXY0908 between Salmonella Typhimurium and Escherichia coli in the gut of chickens. After an inoculation with Salmonella Typhimurium harboring oqxAB-bearing plasmid pHXY0908, chickens were treated with enrofloxacin and florfenicol. Inoculated, but non-treated chickens were included as a control group. Our results revealed that commensal E. coli isolates from the gut of chickens acquired the oqxAB-bearing plasmid in both treated and non-treated groups. Additionally, in the florfenicol treatment group, the average isolation rate of oqxAB-positive E. coli was significantly higher than that in the non-treated group. PFGE analysis showed that oqxAB-positive E. coli strains belonged to different patterns with one predominating. Moreover, multilocus sequence typing analysis revealed that E. coli ST533 was closely associated with the spread of oqxAB gene. qPCR analysis indicated that antibiotic administration provided selective advantages for sustaining a significantly high level of oqxAB gene from the DNA extracted from the feces. There was also a fluctuation in the intestinal microbiota with antibiotic therapy. In conclusion, the present study indicates that the oqxAB gene could be readily spread within the intestinal microflora. This could be enhanced by administrated with clinical doses of florfenicol and enrofloxacin, resulting in the enlargement of resistance gene reservoirs. In addition, ST533 E. coli isolates were found to contribute to transfer of the oqxAB gene. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Stellar Origin of 15N-rich Presolar SiC Grains of Type AB: Supernovae with Explosive Hydrogen Burning

    International Nuclear Information System (INIS)

    Liu, Nan; Nittler, Larry R.; Alexander, Conel M. O’D.; Wang, Jianhua; Pignatari, Marco

    2017-01-01

    We report C, N, and Si isotopic data for 59 highly 13 C-enriched presolar submicron- to micron-sized SiC grains from the Murchison meteorite, including eight putative nova grains (PNGs) and 29 15 N-rich ( 14 N/ 15 N ≤ solar) AB grains, and their Mg–Al, S, and Ca–Ti isotope data when available. These 37 grains are enriched in 13 C, 15 N, and 26 Al with the PNGs showing more extreme enhancements. The 15 N-rich AB grains show systematically higher 26 Al and 30 Si excesses than the 14 N-rich AB grains. Thus, we propose to divide the AB grains into groups 1 ( 14 N/ 15 N < solar) and 2 ( 14 N/ 15 N ≥ solar). For the first time, we have obtained both S and Ti isotopic data for five AB1 grains and one PNG and found 32 S and/or 50 Ti enhancements. Interestingly, one AB1 grain had the largest 32 S and 50 Ti excesses, strongly suggesting a neutron-capture nucleosynthetic origin of the 32 S excess and thus the initial presence of radiogenic 32 Si ( t 1/2 = 153 years). More importantly, we found that the 15 N and 26 Al excesses of AB1 grains form a trend that extends to the region in the N–Al isotope plot occupied by C2 grains, strongly indicating a common stellar origin for both AB1 and C2 grains. Comparison of supernova models with the AB1 and C2 grain data indicates that these grains came from supernovae that experienced H ingestion into the He/C zones of their progenitors.

  9. Drosophila small heat shock protein CryAB ensures structural integrity of developing muscles, and proper muscle and heart performance.

    Science.gov (United States)

    Wójtowicz, Inga; Jabłońska, Jadwiga; Zmojdzian, Monika; Taghli-Lamallem, Ouarda; Renaud, Yoan; Junion, Guillaume; Daczewska, Malgorzata; Huelsmann, Sven; Jagla, Krzysztof; Jagla, Teresa

    2015-03-01

    Molecular chaperones, such as the small heat shock proteins (sHsps), maintain normal cellular function by controlling protein homeostasis in stress conditions. However, sHsps are not only activated in response to environmental insults, but also exert developmental and tissue-specific functions that are much less known. Here, we show that during normal development the Drosophila sHsp CryAB [L(2)efl] is specifically expressed in larval body wall muscles and accumulates at the level of Z-bands and around myonuclei. CryAB features a conserved actin-binding domain and, when attenuated, leads to clustering of myonuclei and an altered pattern of sarcomeric actin and the Z-band-associated actin crosslinker Cheerio (filamin). Our data suggest that CryAB and Cheerio form a complex essential for muscle integrity: CryAB colocalizes with Cheerio and, as revealed by mass spectrometry and co-immunoprecipitation experiments, binds to Cheerio, and the muscle-specific attenuation of cheerio leads to CryAB-like sarcomeric phenotypes. Furthermore, muscle-targeted expression of CryAB(R120G), which carries a mutation associated with desmin-related myopathy (DRM), results in an altered sarcomeric actin pattern, in affected myofibrillar integrity and in Z-band breaks, leading to reduced muscle performance and to marked cardiac arrhythmia. Taken together, we demonstrate that CryAB ensures myofibrillar integrity in Drosophila muscles during development and propose that it does so by interacting with the actin crosslinker Cheerio. The evidence that a DRM-causing mutation affects CryAB muscle function and leads to DRM-like phenotypes in the fly reveals a conserved stress-independent role of CryAB in maintaining muscle cell cytoarchitecture. © 2015. Published by The Company of Biologists Ltd.

  10. Ab initio studies of equations of state and chemical reactions of reactive structural materials

    Science.gov (United States)

    Zaharieva, Roussislava

    subject of studies of the shock or thermally induced chemical reactions of the two solids comprising these reactive materials, from first principles, is a relatively new field of study. The published literature on ab initio techniques or quantum mechanics based approaches consists of the ab initio or ab initio-molecular dynamics studies in related fields that contain a solid and a gas. One such study in the literature involves a gas and a solid. This is an investigation of the adsorption of gasses such as carbon monoxide (CO) on Tungsten. The motivation for these studies is to synthesize alternate or synthetic fuel technology by Fischer-Tropsch process. In this thesis these studies are first to establish the procedure for solid-solid reaction and then to extend that to consider the effects of mechanical strain and temperature on the binding energy and chemisorptions of CO on tungsten. Then in this thesis, similar studies are also conducted on the effect of mechanical strain and temperature on the binding energies of Titanium and hydrogen. The motivations are again to understand the method and extend the method to such solid-solid reactions. A second motivation is to seek strained conditions that favor hydrogen storage and strain conditions that release hydrogen easily when needed. Following the establishment of ab initio and ab initio studies of chemical reactions between a solid and a gas, the next step of research is to study thermally induced chemical reaction between two solids (Ni+Al). Thus, specific new studies of the thesis are as follows: (1) Ab initio Studies of Binding energies associated with chemisorption of (a) CO on W surfaces (111, and 100) at elevated temperatures and strains and (b) adsorption of hydrogen in titanium base. (2) Equations of state of mixtures of reactive material structures from ab initio methods. (3) Ab initio studies of the reaction initiation, transition states and reaction products of intermetallic mixtures of (Ni+Al) at elevated

  11. Computational prediction of muon stopping sites using ab initio random structure searching (AIRSS)

    Science.gov (United States)

    Liborio, Leandro; Sturniolo, Simone; Jochym, Dominik

    2018-04-01

    The stopping site of the muon in a muon-spin relaxation experiment is in general unknown. There are some techniques that can be used to guess the muon stopping site, but they often rely on approximations and are not generally applicable to all cases. In this work, we propose a purely theoretical method to predict muon stopping sites in crystalline materials from first principles. The method is based on a combination of ab initio calculations, random structure searching, and machine learning, and it has successfully predicted the MuT and MuBC stopping sites of muonium in Si, diamond, and Ge, as well as the muonium stopping site in LiF, without any recourse to experimental results. The method makes use of Soprano, a Python library developed to aid ab initio computational crystallography, that was publicly released and contains all the software tools necessary to reproduce our analysis.

  12. Electronic properties of liquid Hg-In alloys : Ab-initio molecular dynamics study

    International Nuclear Information System (INIS)

    Sharma, Nalini; Ahluwalia, P. K.; Thakur, Anil

    2016-01-01

    Ab-initio molecular dynamics simulations are performed to study the structural properties of liquid Hg-In alloys. The interatomic interactions are described by ab-initio pseudopotentials given by Troullier and Martins. Three liquid Hg-In alloys (Hg 10 In 90 , Hg 30 In 70,. Hg 50 In 50 , Hg 70 In 30 , and Hg 90 Pb 10 ) at 299 K are considered. The calculated results for liquid Hg (l-Hg) and lead (l-In) are also drawn. Along with the calculated results of considered five liquid alloys of Hg-In alloy. The results obtained from electronic properties namely total density of state and partial density of states help to find the local arrangement of Hg and In atoms and the presence of liquid state in the considered five alloys.

  13. Ab initio Equation of State and Phase Diagram of MgO in the megabar regime

    Science.gov (United States)

    Soubiran, F.; Militzer, B.

    2017-12-01

    Accurate equations of state (EOS) and phase diagrams for silicate materials are a cornerstone of Earth, Super-Earth's and giant planet cores' models. While recent shock wave experiments have provided new data on the principal Hugoniot curve, accessing off-Hugoniot states is much more challenging. Ab initio computer simulations offer the possibility to complement the experiments in this regard. Here we report results of an extensive set of ab initio simulations of MgO in solid and liquid phases over a wide range of parameters relevant for Earth, Super-Earth's and giant planet's interiors. Using the thermodynamic integration technique, we derive a consistent EOS including free energy and entropy information. We will discuss the relative stability of different phases.

  14. Study of atomic structure of liquid Hg-In alloys using ab-initio molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Nalini; Ahluwalia, P. K. [Department of Physics, Himachal Pradesh University, Shimla(HP)-171005 (India); Thakur, Anil [Department of Physics, Govt. P. G. College Solan (HP)-173212 (India)

    2015-05-15

    Ab-initio molecular dynamics simulations are performed to study the structural properties of liquid Hg-In alloys. The interatomic interactions are described by ab-initio pseudopotentials given by Troullier and Martins. Five liquid Hg-In mixtures (Hg{sub 10}In{sub 90}, Hg{sub 30}In{sub 70}, Hg{sub 50}In{sub 50}, Hg{sub 70}In{sub 30} and Hg{sub 90}In{sub 10}) at 299K are considered. The radial distribution function g(r) and structure factor S(q) of considered alloys are compared with respective experimental results for liquid Hg (l-Hg) and (l-In). The radial distribution function g(r) shows the presence of short range order in the systems considered. Smooth curves of Bhatia-Thornton partial structure factors factor shows the presence of liquid state in the considered alloys.

  15. Electronic properties of liquid Hg-In alloys : Ab-initio molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Nalini, E-mail: nalini-2808@yahoo.co.in; Ahluwalia, P. K. [Department of Physics, Himachal Pradesh University, Shimla-1771005 (India); Thakur, Anil [Department Of Physics, Govt. College Solan, Himachal Pradesh-173212 (India)

    2016-05-23

    Ab-initio molecular dynamics simulations are performed to study the structural properties of liquid Hg-In alloys. The interatomic interactions are described by ab-initio pseudopotentials given by Troullier and Martins. Three liquid Hg-In alloys (Hg{sub 10}In{sub 90}, Hg{sub 30}In{sub 70,.} Hg{sub 50}In{sub 50}, Hg{sub 70}In{sub 30}, and Hg{sub 90}Pb{sub 10}) at 299 K are considered. The calculated results for liquid Hg (l-Hg) and lead (l-In) are also drawn. Along with the calculated results of considered five liquid alloys of Hg-In alloy. The results obtained from electronic properties namely total density of state and partial density of states help to find the local arrangement of Hg and In atoms and the presence of liquid state in the considered five alloys.

  16. Hyperfine Parameters for Aluminum Hydride: An ab Initio Molecular Orbital Study.

    Science.gov (United States)

    Gee, Myrlene; Wasylishen, Roderick E.

    2001-06-01

    An extensive ab initio molecular orbital study of the (27)Al nuclear spin-rotation and nuclear quadrupolar coupling constants in aluminum hydride, AlH, has been performed. The (27)Al nuclear spin-rotation constant (C( perpendicular)), calculated to be approximately 300 kHz, was neglected in a previous analysis of the hyperfine structure in the microwave spectrum (M. Goto and S. Saito, Astrophys. J. 452, L147-148 (1995)). Unfortunately, the ab initio calculations do not provide a definitive value for the aluminum nuclear quadrupolar coupling constant, but suggest a value of -49+/-4 MHz. It is apparent that the microwave study of AlH should be repeated. Copyright 2001 Academic Press.

  17. Collisions induced dissociation and Ab initio study of azobenzene derivatives bond structure and electronic configuration

    Science.gov (United States)

    Rezaee, Mohammadreza; Compton, Robert

    2015-05-01

    Collision induced dissociation (CID) and ab initio calculations were utilized to study a few derivatives of azobenzene molecule and their product ions. High level computational methods along with large basis set size yield values in close agreement with the experimental results. Möller-Plesset and coupled-cluster theory including perturbative triple excitations, CCSD(T), method were performed to obtain a high accuracy estimation of the bond dissociation energy value. The electron affinities have been studied experimentally using the photoelectron spectroscopy method as well as theoretically using ab inito calculations. For the trans-2,2',6,6' tetra-fluoro azobenzene the bond dissociation has been experimentally determined to be 1.88 eV and the vertical detachment energy is 1.78 eV.

  18. Low-temperature metallic liquid hydrogen: an ab-initio path-integral molecular dynamics perspective

    Science.gov (United States)

    Chen, Ji; Li, Xin-Zheng; Zhang, Qianfan; Probert, Matthew; Pickard, Chris; Needs, Richard; Michaelides, Angelos; Wang, Enge

    2013-03-01

    Experiments and computer simulations have shown that the melting temperature of solid hydrogen drops with pressure above about 65 GPa, suggesting that a low temperature liquid state might exist. It has also been suggested that this liquid state might be non-molecular and metallic, although evidence for such behaviour is lacking. Using a combination of ab initio path-integral molecular dynamics and the two-phase methods, we have simulated the melting of solid hydrogen under finite temperatures. We found an atomic solid phase from 500 to 800 GPa which melts at < 200 K. Beyond this and up to pressures of 1,200 GPa a metallic atomic liquid is stable at temperatures as low as 50 K. The quantum motion of the protons is critical to the low melting temperature in this system as ab initio simulations with classical nuclei lead to a considerably higher melting temperature of ~300 K across the entire pressure range considered.

  19. Ab initio model of optical properties of two-temperature warm dense matter

    International Nuclear Information System (INIS)

    Holst, B.; Recoules, V.; Mazevet, S.; Torrent, M.

    2014-01-01

    We present a model to describe thermophysical and optical properties of two-temperature systems consisted of heated electrons and cold ions in a solid lattice that occur during ultrafast heating experiments. Our model is based on ab initio simulations within the framework of density functional theory. The optical properties are obtained by evaluating the Kubo-Greenwood formula. By applying the material parameters of our ab initio model to a two-temperature model we are able to describe the temperature relaxation process of femtosecond-laser-heated gold and its optical properties within the same theoretical framework. Recent time-resolved measurements of optical properties of ultrafast heated gold revealed the dynamics of the interaction between femtosecond laser pulses and solid state matter. Different scenarios obtained from simulations of our study are compared with experimental data. (authors)

  20. Implementation of a vector potential method in an ab initio Hartree-Fock code

    Science.gov (United States)

    Tevekeliyska, Violina; Springborg, Michael; Champagne, Benoît; Kirtman, Bernard

    2012-12-01

    For extended systems exposed to an external, electrostatic field, the presence of the field leads to an extra term (E⃗. P⃗) to the Hamiltonian, where E⃗ is the field vector and P⃗ is the polarization of the system of interest. In order to find out how a polymer chain responds to an external electric perturbation, a field with a charge and a current term for the polarization is added to an ab initio Hartree-Fock Hamiltonian. The polarization expression is taken from an efficient vector potential approach (VPA) [1] for calculating electronic and nuclear responses of infinite periodic systems to finite electric fields and is implemented in the ab initio LCAO-SCF algorithm [3], which computes band structure of regular or helical polymers, taking into account the one-dimensional translational symmetry. A smoothing procedure for numerical differentiation of the orbital coefficients is used in order to calculate self-consistently the charge flow contribution to the polarization.