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Transition-state searches in metal clusters by first-principle methods.

The journal of physical chemistry. A

Cruz-Olvera D, Vasquez Ade L, Geudtner G, Vásquez-Pérez JM, Calaminici P, Köster AM.
PMID: 25072358
J Phys Chem A. 2015 Mar 05;119(9):1494-501. doi: 10.1021/jp506121f. Epub 2014 Jul 29.

Elucidation of the chemical reactivity of metal clusters is often cumbersome due to the nonintuitive structures of the corresponding transition states. In this work, a hierarchical transition-state algorithm as implemented in the deMon2k code has been applied to locate...

Electrode Mass Balancing as an Inexpensive and Simple Method to Increase the Capacitance of Electric Double-Layer Capacitors.

PloS one

Andres B, Engström AC, Blomquist N, Forsberg S, Dahlström C, Olin H.
PMID: 27658253
PLoS One. 2016 Sep 22;11(9):e0163146. doi: 10.1371/journal.pone.0163146. eCollection 2016.

Symmetric electric double-layer capacitors (EDLCs) have equal masses of the same active material in both electrodes. However, having equal electrode masses may prevent the EDLC to have the largest possible specific capacitance if the sizes of the hydrated anions...

Deciphering the Interplay among Multisite Phosphorylation, Interaction Dynamics, and Conformational Transitions in a Tripartite Protein System.

ACS central science

Lössl P, Brunner AM, Liu F, Leney AC, Yamashita M, Scheltema RA, Heck AJ.
PMID: 27504491
ACS Cent Sci. 2016 Jul 27;2(7):445-55. doi: 10.1021/acscentsci.6b00053. Epub 2016 Jun 10.

Multisite phosphorylation is a common pathway to regulate protein function, activity, and interaction pattern in vivo, but routine biochemical analysis is often insufficient to identify the number and order of individual phosphorylation reactions and their mechanistic impact on the...

Increased Prevalence of Intermittent Rhythmic Delta or Theta Activity (IRDA/IRTA) in the Electroencephalograms (EEGs) of Patients with Borderline Personality Disorder.

Frontiers in behavioral neuroscience

Tebartz van Elst L, Fleck M, Bartels S, Altenmüller DM, Riedel A, Bubl E, Matthies S, Feige B, Perlov E, Endres D.
PMID: 26941624
Front Behav Neurosci. 2016 Feb 23;10:12. doi: 10.3389/fnbeh.2016.00012. eCollection 2016.

INTRODUCTION: An increased prevalence of pathological electroencephalography (EEG) signals has been reported in patients with borderline personality disorder (BPD). In an elaborative case description of such a patient with intermittent rhythmic delta and theta activity (IRDA/IRTA), the BPD symptoms...

Catalyst Stability Benchmarking for the Oxygen Evolution Reaction: The Importance of Backing Electrode Material and Dissolution in Accelerated Aging Studies.

ChemSusChem

Geiger S, Kasian O, Mingers AM, Nicley SS, Haenen K, Mayrhofer KJJ, Cherevko S.
PMID: 28922570
ChemSusChem. 2017 Nov 09;10(21):4140-4143. doi: 10.1002/cssc.201701523. Epub 2017 Oct 17.

In searching for alternative oxygen evolution reaction (OER) catalysts for acidic water splitting, fast screening of the material intrinsic activity and stability in half-cell tests is of vital importance. The screening process significantly accelerates the discovery of new promising...

Measurement of the top quark mass using single top quark events in proton-proton collisions at [Formula: see text] TeV.

The European physical journal. C, Particles and fields

Sirunyan AM, Tumasyan A, Adam W, Asilar E, Bergauer T, Brandstetter J, Brondolin E, Dragicevic M, Erö J, Flechl M, Friedl M, Frühwirth R, Ghete VM, Hartl C, Hörmann N, Hrubec J, Jeitler M, König A, Krätschmer I, Liko D, Matsushita T, Mikulec I, Rabady D, Rad N, Rahbaran B, Rohringer H, Schieck J, Strauss J, Waltenberger W, Wulz CE, Dvornikov O, Makarenko V, Mossolov V, Gonzalez JS, Zykunov V, Shumeiko N, Alderweireldt S, De Wolf EA, Janssen X, Lauwers J, Van De Klundert M, Van Haevermaet H, Van Mechelen P, Van Remortel N, Van Spilbeeck A, Abu Zeid S, Blekman F, D'Hondt J, Daci N, De Bruyn I, Deroover K, Lowette S, Moortgat S, Moreels L, Olbrechts A, Python Q, Skovpen K, Tavernier S, Van Doninck W, Van Mulders P, Van Parijs I, Brun H, Clerbaux B, De Lentdecker G, Delannoy H, Fasanella G, Favart L, Goldouzian R, Grebenyuk A, Karapostoli G, Lenzi T, Léonard A, Luetic J, Maerschalk T, Marinov A, Randle-Conde A, Seva T, Vander Velde C, Vanlaer P, Vannerom D, Yonamine R, Zenoni F, Zhang F, Cimmino A, Cornelis T, Dobur D, Fagot A, Gul M, Khvastunov I, Poyraz D, Salva S, Schöfbeck R, Tytgat M, Van Driessche W, Yazgan E, Zaganidis N, Bakhshiansohi H, Beluffi C, Bondu O, Brochet S, Bruno G, Caudron A, De Visscher S, Delaere C, Delcourt M, Francois B, Giammanco A, Jafari A, Komm M, Krintiras G, Lemaitre V, Magitteri A, Mertens A, Musich M, Piotrzkowski K, Quertenmont L, Selvaggi M, Marono MV, Wertz S, Beliy N, Aldá Júnior WL, Alves FL, Alves GA, Brito L, Hensel C, Moraes A, Pol ME, Rebello Teles P, Belchior Batista Das Chagas E, Carvalho W, Chinellato J, Custódio A, Da Costa EM, Da Silveira GG, De Jesus Damiao D, De Oliveira Martins C, Fonseca De Souza S, Huertas Guativa LM, Malbouisson H, Matos Figueiredo D, Mora Herrera C, Mundim L, Nogima H, Prado Da Silva WL, Santoro A, Sznajder A, Tonelli Manganote EJ, Torres Da Silva De Araujo F, Vilela Pereira A, Ahuja S, Bernardes CA, Dogra S, Fernandez Perez Tomei TR, Gregores EM, Mercadante PG, Moon CS, Novaes SF, Padula SS, Romero 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Lindén T, Luukka P, Tuominiemi J, Tuovinen E, Wendland L, Talvitie J, Tuuva T, Besancon M, Couderc F, Dejardin M, Denegri D, Fabbro B, Faure JL, Favaro C, Ferri F, Ganjour S, Ghosh S, Givernaud A, Gras P, Hamel de Monchenault G, Jarry P, Kucher I, Locci E, Machet M, Malcles J, Rander J, Rosowsky A, Titov M, Abdulsalam A, Antropov I, Baffioni S, Beaudette F, Busson P, Cadamuro L, Chapon E, Charlot C, Davignon O, Granier de Cassagnac R, Jo M, Lisniak S, Miné P, Nguyen M, Ochando C, Ortona G, Paganini P, Pigard P, Regnard S, Salerno R, Sirois Y, Stahl Leiton AG, Strebler T, Yilmaz Y, Zabi A, Zghiche A, Agram JL, Andrea J, Aubin A, Bloch D, Brom JM, Buttignol M, Chabert EC, Chanon N, Collard C, Conte E, Coubez X, Fontaine JC, Gelé D, Goerlach U, Le Bihan AC, Van Hove P, Gadrat S, Beauceron S, Bernet C, Boudoul G, Carrillo Montoya CA, Chierici R, Contardo D, Courbon B, Depasse P, Mamouni HE, Fay J, Gascon S, Gouzevitch M, Grenier G, Ille B, Lagarde F, Laktineh IB, Lethuillier M, Mirabito L, Pequegnot AL, Perries S, Popov A, Sabes D, Sordini V, Vander Donckt M, Verdier P, Viret S, Khvedelidze A, Tsamalaidze Z, Autermann C, Beranek S, Feld L, Kiesel MK, Klein K, Lipinski M, Preuten M, Schomakers C, Schulz J, Verlage T, Albert A, Brodski M, Dietz-Laursonn E, Duchardt D, Endres M, Erdmann M, Erdweg S, Esch T, Fischer R, Güth A, Hamer M, Hebbeker T, Heidemann C, Hoepfner K, Knutzen S, Merschmeyer M, Meyer A, Millet P, Mukherjee S, Olschewski M, Padeken K, Pook T, Radziej M, Reithler H, Rieger M, Scheuch F, Sonnenschein L, Teyssier D, Thüer S, Cherepanov V, Flügge G, Kargoll B, Kress T, Künsken A, Lingemann J, Müller T, Nehrkorn A, Nowack A, Pistone C, Pooth O, Stahl A, Aldaya Martin M, Arndt T, Asawatangtrakuldee C, Beernaert K, Behnke O, Behrens U, Bin Anuar AA, Borras K, Campbell A, Connor P, Contreras-Campana C, Costanza F, Diez Pardos C, Dolinska G, Eckerlin G, Eckstein D, Eichhorn T, Eren E, Gallo E, Garay Garcia J, Geiser A, Gizhko A, Grados Luyando JM, Grohsjean A, Gunnellini P, Harb A, Hauk J, Hempel M, Jung H, Kalogeropoulos A, Karacheban O, Kasemann M, Keaveney J, Kleinwort C, Korol I, Krücker D, Lange W, Lelek A, Lenz T, Leonard J, Lipka K, Lobanov A, Lohmann W, Mankel R, Melzer-Pellmann IA, Meyer AB, Mittag G, Mnich J, Mussgiller A, Pitzl D, Placakyte R, Raspereza A, Roland B, Sahin MÖ, Saxena P, Schoerner-Sadenius T, Spannagel S, Stefaniuk N, Van Onsem GP, Walsh R, Wissing C, Blobel V, Centis Vignali M, Draeger AR, Dreyer T, Garutti E, Gonzalez D, Haller J, Hoffmann M, Junkes A, Klanner R, Kogler R, Kovalchuk N, Lapsien T, Marchesini I, Marconi D, Meyer M, Niedziela M, Nowatschin D, Pantaleo F, Peiffer T, Perieanu A, Scharf C, Schleper P, Schmidt A, Schumann S, Schwandt J, Stadie H, Steinbrück G, Stober FM, Stöver M, Tholen H, Troendle D, Usai E, Vanelderen L, Vanhoefer A, Vormwald B, Akbiyik M, Barth C, Baur S, Baus C, Berger J, Butz E, Caspart R, Chwalek T, Colombo F, De Boer W, Dierlamm A, Fink S, Freund B, Friese R, Giffels M, Gilbert A, Goldenzweig P, Haitz D, Hartmann F, Heindl SM, Husemann U, Katkov I, Kudella S, Mildner H, Mozer MU, Müller T, Plagge M, Quast G, Rabbertz K, Röcker S, Roscher F, Schröder M, Shvetsov I, Sieber G, Simonis HJ, Ulrich R, Wayand S, Weber M, Weiler T, Williamson S, Wöhrmann C, Wolf R, Anagnostou G, Daskalakis G, Geralis T, Giakoumopoulou VA, Kyriakis A, Loukas D, Topsis-Giotis I, Kesisoglou S, Panagiotou A, Saoulidou N, Tziaferi E, Evangelou I, Flouris G, Foudas C, Kokkas P, Loukas N, Manthos N, Papadopoulos I, Paradas E, Filipovic N, Pasztor G, Bencze G, Hajdu C, Horvath D, Sikler F, Veszpremi V, Vesztergombi G, Zsigmond AJ, Beni N, Czellar S, Karancsi J, Makovec A, Molnar J, Szillasi Z, Bartók M, Raics P, Trocsanyi ZL, Ujvari B, Komaragiri JR, Bahinipati S, Bhowmik S, Choudhury S, Mal P, Mandal K, Nayak A, Sahoo DK, Sahoo N, Swain SK, Bansal S, Beri SB, Bhatnagar V, Chawla R, Bhawandeep U, Kalsi AK, Kaur A, Kaur M, Kumar R, Kumari P, Mehta A, Mittal M, Singh JB, Walia G, Ashok Kumar, Bhardwaj A, Choudhary BC, Garg RB, Keshri S, Malhotra S, Naimuddin M, Ranjan K, Sharma R, Sharma V, Bhattacharya R, Bhattacharya S, Chatterjee K, Dey S, Dutt S, Dutta S, Ghosh S, Majumdar N, Modak A, Mondal K, Mukhopadhyay S, Nandan S, Purohit A, Roy A, Roy D, Roy Chowdhury S, Sarkar S, Sharan M, Thakur S, Behera PK, Chudasama R, Dutta D, Jha V, Kumar V, Mohanty AK, Netrakanti PK, Pant LM, Shukla P, Topkar A, Aziz T, Dugad S, Kole G, Mahakud B, Mitra S, Mohanty GB, Parida B, Sur N, Sutar B, Banerjee S, Dewanjee RK, Ganguly S, Guchait M, Jain S, Kumar S, Maity M, Majumder G, Mazumdar K, Sarkar T, Wickramage N, Chauhan S, Dube S, Hegde V, Kapoor A, Kothekar K, Pandey S, Rane A, Sharma S, Chenarani S, Eskandari Tadavani E, Etesami SM, Khakzad M, Mohammadi Najafabadi M, Naseri M, Paktinat Mehdiabadi S, Rezaei Hosseinabadi F, Safarzadeh B, Zeinali M, Felcini M, Grunewald M, Abbrescia M, Calabria C, Caputo C, Colaleo A, Creanza D, Cristella L, De Filippis N, De Palma M, Fiore L, Iaselli G, Maggi G, Maggi M, Miniello G, My S, Nuzzo S, Pompili A, Pugliese G, Radogna R, Ranieri A, Selvaggi G, Sharma A, Silvestris L, Venditti R, Verwilligen P, Abbiendi G, Battilana C, Bonacorsi D, Braibant-Giacomelli S, Brigliadori L, Campanini R, Capiluppi P, Castro A, Cavallo FR, Chhibra SS, Codispoti G, Cuffiani M, Dallavalle GM, Fabbri F, Fanfani A, Fasanella D, Giacomelli P, Grandi C, Guiducci L, Marcellini S, Masetti G, Montanari A, Navarria FL, Perrotta A, Rossi AM, Rovelli T, Siroli GP, Tosi N, Albergo S, Costa S, Di Mattia A, Giordano F, Potenza R, Tricomi A, Tuve C, Barbagli G, Ciulli V, Civinini C, D'Alessandro R, Focardi E, Lenzi P, Meschini M, Paoletti S, Russo L, Sguazzoni G, Strom D, Viliani L, Benussi L, Bianco S, Fabbri F, Piccolo D, Primavera F, Calvelli V, Ferro F, Monge MR, Robutti E, Tosi S, Brianza L, Brivio F, Ciriolo V, Dinardo ME, Fiorendi S, Gennai S, Ghezzi A, Govoni P, Malberti M, Malvezzi S, Manzoni RA, Menasce D, Moroni L, Paganoni M, Pedrini D, Pigazzini S, Ragazzi S, Tabarelli de Fatis T, Buontempo S, Cavallo N, De Nardo G, Di Guida S, Esposito M, Fabozzi F, Fienga F, Iorio AOM, Lanza G, Lista L, Meola S, Paolucci P, Sciacca C, Thyssen F, Azzi P, Bacchetta N, Benato L, Bisello D, Boletti A, Carlin R, Carvalho Antunes De Oliveira A, Checchia P, Dall'Osso M, De Castro Manzano P, Dorigo T, Dosselli U, Gasparini F, Gasparini U, Gozzelino A, Lacaprara S, Margoni M, Meneguzzo AT, Pazzini J, Pozzobon N, Ronchese P, Simonetto F, Torassa E, Zanetti M, Zotto P, Zumerle G, Braghieri A, Fallavollita F, Magnani A, Montagna P, Ratti SP, Re V, Riccardi C, Salvini P, Vai I, Vitulo P, Alunni Solestizi L, Bilei GM, Ciangottini D, Fanò L, Lariccia P, Leonardi R, Mantovani G, Menichelli M, Saha A, Santocchia A, Androsov K, Azzurri P, Bagliesi G, Bernardini J, Boccali T, Castaldi R, Ciocci MA, Dell'Orso R, Donato S, Fedi G, Giassi A, Grippo MT, Ligabue F, Lomtadze T, Martini L, Messineo A, Palla F, Rizzi A, Savoy-Navarro A, Spagnolo P, Tenchini R, Tonelli G, 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Clarke C, Harr R, Karchin PE, Sturdy J, Belknap DA, Buchanan J, Caillol C, Dasu S, Dodd L, Duric S, Gomber B, Grothe M, Herndon M, Hervé A, Klabbers P, Lanaro A, Levine A, Long K, Loveless R, Perry T, Pierro GA, Polese G, Ruggles T, Savin A, Smith N, Smith WH, Taylor D, Woods N.
PMID: 28943789
Eur Phys J C Part Fields. 2017;77(5):354. doi: 10.1140/epjc/s10052-017-4912-8. Epub 2017 May 29.

A measurement of the top quark mass is reported in events containing a single top quark produced via the electroweak

When Friedrich Mohr Became a "Scientific" Cardiovascular Surgeon.

The Thoracic and cardiovascular surgeon

Zeiher AM.
PMID: 28388763
Thorac Cardiovasc Surg. 2017 Apr;65:S158-S159. doi: 10.1055/s-0037-1601347. Epub 2017 Apr 07.

No abstract available.

An analysis of pterosaurian biogeography: implications for the evolutionary history and fossil record quality of the first flying vertebrates.

Historical biology

Upchurch P, Andres B, Butler RJ, Barrett PM.
PMID: 26339122
Hist Biol. 2015 Aug 18;27(6):697-717. doi: 10.1080/08912963.2014.939077. Epub 2015 Jul 28.

The biogeographical history of pterosaurs has received very little treatment. Here, we present the first quantitative analysis of pterosaurian biogeography based on an event-based parsimony method (Treefitter). This approach was applied to a phylogenetic tree comprising the relationships of...

On the Effect of Sex on Prefrontal and Cerebellar Neurometabolites in Healthy Adults: An MRS Study.

Frontiers in human neuroscience

Endres D, Tebartz van Elst L, Feige B, Backenecker S, Nickel K, Bubl A, Lange T, Mader I, Maier S, Perlov E.
PMID: 27531975
Front Hum Neurosci. 2016 Aug 02;10:367. doi: 10.3389/fnhum.2016.00367. eCollection 2016.

In neuropsychiatric research, the aspects of sex have received increasing attention over the past decade. With regard to the neurometabolic differences in the prefrontal cortex and the cerebellum of both men and women, we performed a magnetic resonance spectroscopic...

A parasitic plant increases native and exotic plant species richness in vernal pools.

AoB PLANTS

Graffis AM, Kneitel JM.
PMID: 26307042
AoB Plants. 2015 Aug 24;7. doi: 10.1093/aobpla/plv100.

Species interactions are well known to affect species diversity in communities, but the effects of parasites have been less studied. Previous studies on parasitic plants have found both positive and negative effects on plant community diversity. Cuscuta howelliana is...

Social Media: Changing the Paradigm for Surgical Education.

Clinics in colon and rectal surgery

Petrucci AM, Chand M, Wexner SD.
PMID: 28924397
Clin Colon Rectal Surg. 2017 Sep;30(4):244-251. doi: 10.1055/s-0037-1604252. Epub 2017 Sep 12.

The role of social media (SoMe) in surgical education is emerging as a tool that augments and complements traditional learning. As SoMe usage has steadily increased in our personal and professional lives, it is no surprise that it has...

Hybrid boron nitride-natural fiber composites for enhanced thermal conductivity.

Scientific reports

Xia C, Garcia AC, Shi SQ, Qiu Y, Warner N, Wu Y, Cai L, Rizvi HR, D'Souza NA, Nie X.
PMID: 27703226
Sci Rep. 2016 Oct 05;6:34726. doi: 10.1038/srep34726.

Thermal conductivity was dramatically increased after adding natural fiber into hexagonal boron nitride (hBN)/epoxy composites. Although natural fiber does not show high-thermal conductivity itself, this study found that the synergy of natural fiber with hBN could significantly improve thermal...

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