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Ab Initio Study of Water Polarization in the Hydration Shell of Aqueous Hydroxide: Comparison between Polarizable and Nonpolarizable Water Models.

Journal of chemical theory and computation

Bucher D, Gray-Weale A, Kuyucak S.
PMID: 26616088
J Chem Theory Comput. 2010 Sep 14;6(9):2888-95. doi: 10.1021/ct1003719.

Ab initio simulations of aqueous hydroxide are performed to study the structure and polarization of water molecules in the first solvation shell. Polarization is found to depend on the configuration of the hydrogen-bond (HB) donors. In the most common...

Route to the Smallest Doped Semiconductor: Mn(2+)-Doped (CdSe)13 Clusters.

Journal of the American Chemical Society

Yang J, Fainblat R, Kwon SG, Muckel F, Yu JH, Terlinden H, Kim BH, Iavarone D, Choi MK, Kim IY, Park I, Hong HK, Lee J, Son JS, Lee Z, Kang K, Hwang SJ, Bacher G, Hyeon T.
PMID: 26431472
J Am Chem Soc. 2015 Oct 14;137(40):12776-9. doi: 10.1021/jacs.5b07888. Epub 2015 Oct 02.

Doping semiconductor nanocrystals with magnetic transition-metal ions has attracted fundamental interest to obtain a nanoscale dilute magnetic semiconductor, which has unique spin exchange interaction between magnetic spin and exciton. So far, the study on the doped semiconductor NCs has...

Stimulated X-ray Raman scattering - a critical assessment of the building block of nonlinear X-ray spectroscopy.

Faraday discussions

Kimberg V, Sanchez-Gonzalez A, Mercadier L, Weninger C, Lutman A, Ratner D, Coffee R, Bucher M, Mucke M, Agåker M, Såthe C, Bostedt C, Nordgren J, Rubensson JE, Rohringer N.
PMID: 27711899
Faraday Discuss. 2016 Dec 16;194:305-324. doi: 10.1039/c6fd00103c.

With the invention of femtosecond X-ray free-electron lasers (XFELs), studies of light-induced chemical reaction dynamics and structural dynamics reach a new era, allowing for time-resolved X-ray diffraction and spectroscopy. To ultimately probe coherent electron and nuclear dynamics on their...

Giant Excitonic Exchange Splittings at Zero Field in Single Colloidal CdSe Quantum Dots Doped with Individual Mn.

Nano letters

Fainblat R, Barrows CJ, Hopmann E, Siebeneicher S, Vlaskin VA, Gamelin DR, Bacher G.
PMID: 27646931
Nano Lett. 2016 Oct 12;16(10):6371-6377. doi: 10.1021/acs.nanolett.6b02775. Epub 2016 Sep 28.

Replacing a single atom of a host semiconductor nanocrystal with a functional dopant can introduce completely new properties potentially valuable for "solotronic" information-processing applications. Here, we report successful doping of colloidal CdSe quantum dots with a very small number...

Immunolocalization of a nuclear protein bound to the sphere organelle during oogenesis and embryogenesis inPleurodeles waltl.

Roux's archives of developmental biology : the official organ of the EDBO

Boucher D, Loones MT, Pyne CK, Simon F, Abbadie C, Charlemagne J, Lacroix JC.
PMID: 28305890
Rouxs Arch Dev Biol. 1991 Aug;199(8):458-468. doi: 10.1007/BF01705782.

The distribution of a nuclear antigen ofPleurodeles waltl oocytes, recognized by the monoclonal antibody B24/1, has been studied during oogenesis and early embryonic development. In stage I oocytes the antigen was localized in the nucleoplasm and on two atypical...

A Novel Cathode Material for Cathodic Dehalogenation of 1,1-Dibromo Cyclopropane Derivatives.

Chemistry (Weinheim an der Bergstrasse, Germany)

Gütz C, Selt M, Bänziger M, Bucher C, Römelt C, Hecken N, Gallou F, Galvão TR, Waldvogel SR.
PMID: 26250701
Chemistry. 2015 Sep 28;21(40):13878-82. doi: 10.1002/chem.201502064. Epub 2015 Aug 06.

Leaded bronze turned out to be an excellent cathode material for the dehalogenation reaction of cyclopropanes without affecting the strained molecular entity. With this particular alloy, beneficial properties of lead cathodes are conserved, whereas the corrosion of cathode is...

Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation.

Journal of chemical theory and computation

Miao Y, Sinko W, Pierce L, Bucher D, Walker RC, McCammon JA.
PMID: 25061441
J Chem Theory Comput. 2014 Jul 08;10(7):2677-2689. doi: 10.1021/ct500090q. Epub 2014 May 01.

Accelerated molecular dynamics (aMD) simulations greatly improve the efficiency of conventional molecular dynamics (cMD) for sampling biomolecular conformations, but they require proper reweighting for free energy calculation. In this work, we systematically compare the accuracy of different reweighting algorithms...

Nurses and Lifelong Learning: Creating "Makers and Shapers" or "Users and Choosers"?.

Nursing forum

Butcher D, Bruce A.
PMID: 25611560
Nurs Forum. 2016 Apr;51(2):97-104. doi: 10.1111/nuf.12126. Epub 2015 Jan 21.

PROBLEM: How have the meaning and goals of lifelong learning for nurses shifted under neoliberal political policy?METHODS: This article critically scrutinizes the political undercurrents of lifelong learning. While the original intent of lifelong learning was to foster intellectual, critical,...

Measurement of the midrapidity transverse energy distribution from square root of [(s)NN] = 130 GeV Au + Au collisions at RHIC.

Physical review letters

Adcox K, Adler SS, Ajitanand NN, Akiba Y, Alexander J, Aphecetche L, Arai Y, Aronson SH, Averbeck R, Awes TC, Barish KN, Barnes PD, Barrette J, Bassalleck B, Bathe S, Baublis V, Bazilevsky A, Belikov S, Bellaiche FG, Belyaev ST, Bennett MJ, Berdnikov Y, Botelho S, Brooks ML, Brown DS, Bruner N, Bucher D, Buesching H, Bumazhnov V, Bunce G, Burward-Hoy J, Butsyk S, Carey TA, Chand P, Chang J, Chang WC, Chavez LL, Chernichenko S, Chi CY, Chiba J, Chiu M, Choudhury RK, Christ T, Chujo T, Chung MS, Chung P, Cianciolo V, Cole BA, D'Enterria DG, David G, Delagrange H, Denisov A, Deshpande A, Desmond EJ, Dietzsch O, Dinesh BV, Drees A, Durum A, Dutta D, Ebisu K, Efremenko YV, El Chenawi K, En'yo H, Esumi S, Ewell L, Ferdousi T, Fields DE, Fokin SL, Fraenkel Z, Franz A, Frawley AD, Fung SY, Garpman S, Ghosh TK, Glenn A, Godoi AL, Goto Y, Greene SV, Grosse Perdekamp M, Gupta SK, Guryn W, Gustafsson HA, Haggerty JS, Hamagaki H, Hansen AG, Hara H, Hartouni EP, Hayano R, Hayashi N, He X, Hemmick TK, Heuser JM, Hibino M, Hill JC, Ho DS, Homma K, Hong B, Hoover A, Ichihara T, Imai K, Ippolitov MS, Ishihara M, Jacak BV, Jang WY, Jia J, Johnson BM, Johnson SC, Joo KS, Kametani S, Kang JH, Kann M, Kapoor SS, Kelly S, Khachaturov B, Khanzadeev A, Kikuchi J, Kim DJ, Kim HJ, Kim SY, Kim YG, Kinnison WW, Kistenev E, Kiyomichi A, Klein-Boesing C, Klinksiek S, Kochenda L, Kochetkov D, Kochetkov V, Koehler D, Kohama T, Kozlov A, Kroon PJ, Kurita K, Kweon MJ, Kwon Y, Kyle GS, Lacey R, Lajoie JG, Lauret J, Lebedev A, Lee DM, Leitch MJ, Li XH, Li Z, Lim DJ, Liu MX, Liu X, Liu Z, Maguire CF, Mahon J, Makdisi YI, Manko VI, Mao Y, Mark SK, Markacs S, Martinez G, Marx MD, Masaike A, Matathias F, Matsumoto T, McGaughey PL, Melnikov E, Merschmeyer M, Messer F, Messer M, Miake Y, Miller TE, Milov A, Mioduszewski S, Mischke RE, Mishra GC, Mitchell JT, Mohanty AK, Morrison DP, Moss JM, Mühlbacher F, Muniruzzaman M, Murata J, Nagamiya S, Nagasaka Y, Nagle JL, Nakada Y, Nandi BK, Newby J, Nikkinen L, Nilsson P, Nishimura S, Nyanin AS, Nystrand J, O'Brien E, Ogilvie CA, Ohnishi H, Ojha ID, Ono M, Onuchin V, Oskarsson A, Osterman L, Otterlund I, Oyama K, Paffrath L, Palounek AP, Pantuev VS, Papavassiliou V, Pate SF, Peitzmann T, Petridis AN, Pinkenburg C, Pisani RP, Pitukhin P, Plasil F, Pollack M, Pope K, Purschke ML, Ravinovich I, Read KF, Reygers K, Riabov V, Riabov Y, Rosati M, Rose AA, Ryu SS, Saito N, Sakaguchi A, Sakaguchi T, Sako H, Sakuma T, Samsonov V, Sangster TC, Santo R, Sato HD, Sato S, Sawada S, Schlei BR, Schutz Y, Semenov V, Seto R, Shea TK, Shein I, Shibata TA, Shigaki K, Shiina T, Shin YH, Sibiriak IG, Silvermyr D, Sim KS, Simon-Gillo J, Singh CP, Singh V, Sivertz M, Soldatov A, Soltz RA, Sorensen S, Stankus PW, Starinsky N, Steinberg P, Stenlund E, Ster A, Stoll SP, Sugioka M, Sugitate T, Sullivan JP, Sumi Y, Sun Z, Suzuki M, Takagui EM, Taketani A, Tamai M, Tanaka KH, Tanaka Y, Taniguchi E, Tannenbaum MJ, Thomas J, Thomas JH, Thomas TL, Tian W, Tojo J, Torii H, Towell RS, Tserruya I, Tsuruoka H, Tsvetkov AA, Tuli SK, Tydesjö H, Tyurin N, Ushiroda T, van Hecke HW, Velissaris C, Velkovska J, Velkovsky M, Vinogradov AA, Volkov MA, Vorobyov A, Vznuzdaev E, Wang H, Watanabe Y, White SN, Witzig C, Wohn FK, Woody CL, Xie W, Yagi K, Yokkaichi S, Young GR, Yushmanov IE, Zajc WA, Zhang Z, Zhou S.
PMID: 11497762
Phys Rev Lett. 2001 Jul 30;87(5):052301. doi: 10.1103/PhysRevLett.87.052301. Epub 2001 Jul 17.

The first measurement of energy produced transverse to the beam direction at the Relativistic Heavy-Ion Collider at Brookhaven National Laboratory is presented. The midrapidity transverse energy density per participating nucleon rises steadily with the number of participants, closely paralleling...

Centrality dependence of pi(+/-), K(+/-), p, and (-)p production from sqrt[s(NN)] = 130 GeV Au + Au collisions at RHIC.

Physical review letters

Adcox K, Adler SS, Ajitanand NN, Akiba Y, Alexander J, Aphecetche L, Arai Y, Aronson SH, Averbeck R, Awes TC, Barish KN, Barnes PD, Barrette J, Bassalleck B, Bathe S, Baublis V, Bazilevsky A, Belikov S, Bellaiche FG, Belyaev ST, Bennett MJ, Berdnikov Y, Botelho S, Brooks ML, Brown DS, Bruner N, Bucher D, Buesching H, Bumazhnov V, Bunce G, Burward-Hoy J, Butsyk S, Carey TA, Chand P, Chang J, Chang WC, Chavez LL, Chernichenko S, Chi CY, Chiba J, Chiu M, Choudhury RK, Christ T, Chujo T, Chung MS, Chung P, Cianciolo V, Cole BA, D'Enterria DG, David G, Delagrange H, Denisov A, Deshpande A, Desmond EJ, Dietzsch O, Dinesh BV, Drees A, Durum A, Dutta D, Ebisu K, Efremenko YV, El Chenawi K, En'yo H, Esumi S, Ewell L, Ferdousi T, Fields DE, Fokin SL, Fraenkel Z, Franz A, Frawley AD, Fung SY, Garpman S, Ghosh TK, Glenn A, Godoi AL, Goto Y, Greene SV, Grosse Perdekamp M, Gupta SK, Guryn W, Gustafsson HA, Haggerty JS, Hamagaki H, Hansen AG, Hara H, Hartouni EP, Hayano R, Hayashi N, He X, Hemmick TK, Heuser JM, Hibino M, Hill JC, Ho DS, Homma K, Hong B, Hoover A, Ichihara T, Imai K, Ippolitov MS, Ishihara M, Jacak BV, Jang WY, Jia J, Johnson BM, Johnson SC, Joo KS, Kametani S, Kang JH, Kann M, Kapoor SS, Kelly S, Khachaturov B, Khanzadeev A, Kikuchi J, Kim DJ, Kim HJ, Kim SY, Kim YG, Kinnison WW, Kistenev E, Kiyomichi A, Klein-Boesing C, Klinksiek S, Kochenda L, Kochetkov V, Koehler D, Kohama T, Kotchetkov D, Kozlov A, Kroon PJ, Kurita K, Kweon MJ, Kwon Y, Kyle GS, Lacey R, Lajoie JG, Lauret J, Lebedev A, Lee DM, Leitch MJ, Li XH, Li Z, Lim DJ, Liu MX, Liu X, Liu Z, Maguire CF, Mahon J, Makdisi YI, Manko VI, Mao Y, Mark SK, Markacs S, Martinez G, Marx MD, Masaike A, Matathias F, Matsumoto T, McGaughey PL, Melnikov E, Merschmeyer M, Messer F, Messer M, Miake Y, Miller TE, Milov A, Mioduszewski S, Mischke RE, Mishra GC, Mitchell JT, Mohanty AK, Morrison DP, Moss JM, Mühlbacher F, Muniruzzaman M, Murata J, Nagamiya S, Nagasaka Y, Nagle JL, Nakada Y, Nandi BK, Newby J, Nikkinen L, Nilsson P, Nishimura S, Nyanin AS, Nystrand J, O'Brien E, Ogilvie CA, Ohnishi H, Ojha ID, Ono M, Onuchin V, Oskarsson A, Osterman L, Otterlund I, Oyama K, Paffrath L, Palounek AP, Pantuev VS, Papavassiliou V, Pate SF, Peitzmann T, Petridis AN, Pinkenburg C, Pisani RP, Pitukhin P, Plasil F, Pollack M, Pope K, Purschke ML, Ravinovich I, Read KF, Reygers K, Riabov V, Riabov Y, Rosati M, Rose AA, Ryu SS, Saito N, Sakaguchi A, Sakaguchi T, Sako H, Sakuma T, Samsonov V, Sangster TC, Santo R, Sato HD, Sato S, Sawada S, Schlei BR, Schutz Y, Semenov V, Seto R, Shea TK, Shein I, Shibata TA, Shigaki K, Shiina T, Shin YH, Sibiriak IG, Silvermyr D, Sim KS, Simon-Gillo J, Singh CP, Singh V, Sivertz M, Soldatov A, Soltz RA, Sorensen S, Stankus PW, Starinsky N, Steinberg P, Stenlund E, Ster A, Stoll SP, Sugioka M, Sugitate T, Sullivan JP, Sumi Y, Sun Z, Suzuki M, Takagui EM, Taketani A, Tamai M, Tanaka KH, Tanaka Y, Taniguchi E, Tannenbaum MJ, Thomas J, Thomas JH, Thomas TL, Tian W, Tojo J, Torii H, Towell RS, Tserruya I, Tsuruoka H, Tsvetkov AA, Tuli SK, Tydesjö H, Tyurin N, Ushiroda T, van Hecke HW, Velissaris C, Velkovska J, Velkovsky M, Vinogradov AA, Volkov MA, Vorobyov A, Vznuzdaev E, Wang H, Watanabe Y, White SN, Witzig C, Wohn FK, Woody CL, Xie W, Yagi K, Yokkaichi S, Young GR, Yushmanov IE, Zajc WA, Zhang Z, Zhou S.
PMID: 12059292
Phys Rev Lett. 2002 Jun 17;88(24):242301. doi: 10.1103/PhysRevLett.88.242301. Epub 2002 May 28.

Identified pi(+/-), K(+/-), p, and (-)p transverse momentum spectra at midrapidity in sqrt[s(NN)] = 130 GeV Au+Au collisions were measured by the PHENIX experiment at RHIC as a function of collision centrality. Average transverse momenta increase with the number...

Onset of antiferromagnetism in heavy-fermion metals.

Nature

Schroder A, Aeppli G, Coldea R, Adams M, Stockert O, v. Lohneysen H, Bucher E, Ramazashvili R, Coleman P.
PMID: 11014185
Nature. 2000 Sep 21;407(6802):351-5. doi: 10.1038/35030039.

There are two main theoretical descriptions of antiferromagnets. The first arises from atomic physics, which predicts that atoms with unpaired electrons develop magnetic moments. In a solid, the coupling between moments on nearby ions then yields antiferromagnetic order at...

Synthesis and Biochemical Evaluation of Bis(6,7-dimethyl-8-D-ribityllumazines) as Potential Bisubstrate Analogue Inhibitors of Riboflavin Synthase.

The Journal of organic chemistry

Cushman M, Mavandadi F, Yang D, Kugelbrey K, Kis K, Bacher A.
PMID: 11674533
J Org Chem. 1999 Jun 25;64(13):4635-4642. doi: 10.1021/jo9821731.

The reaction catalyzed by riboflavin synthase utilizes two identical 6,7-dimethyl-8-D-ribityllumazine substrate molecules. Three bis(6,7-dimethyl-8-D-ribityllumazines) were, therefore, synthesized in which the two lumazine moieties were connected through their N-3 nitrogen atoms by polymethylene linker chains containing three, four, and five...

Showing 13 to 24 of 665 entries