PubMed

Requirements for the valid quantification of immunostains on tissue microarray materials using image analysis.

Decaestecker C, Lopez XM, D'Haene N, Roland I, Guendouz S, Duponchelle C, Berton A, Debeir O, Salmon I.

Proteomics. 2009 Oct;9(19):4478-94.PMID: 19670370 [PubMed - in process]Related articles

Spin conserving natural orbital functional theory.

Piris M, Matxain JM, Lopez X, Ugalde JM.

J Chem Phys. 2009 Jul 14;131(2):021102.PMID: 19603963 [PubMed]Related articles

Measurement of the in-medium K0 inclusive cross section in pi(-) -induced reactions at 1.15 GeV/c.

Benabderrahmane ML, Herrmann N, Wiśniewski K, Kecskemeti J, Andronic A, Barret V, Basrak Z, Bastid N, Buehler P, Cargnelli M, Caplar R, Cordier E, Deppner I, Crochet P, Dupieux P, Dzelalija M, Fabbietti L, Fodor Z, Gasik P, Gasparić I, Grishkin Y, Hartmann ON, Hildenbrand KD, Hong B, Kang TI, Kienle P, Kirejczyk M, Kim YJ, Kis M, Koczoń P, Korolija M, Kotte R, Lebedev A, Leifels Y, Lopez X, Manko V, Marton J, Mangiarotti A, Merschmeyer M, Matulewicz T, Petrovici M, Piasecki K, Rami F, Reischl A, Reisdorf W, Rogowska M, Ryu MS, Schmidt P, Schüttauf A, Seres Z, Sikora B, Sim KS, Simion V, Siwek-Wilczyńska K, Smolyankin V, Suzuki K, Tymiński Z, Widmann E, Xiao ZG, Yamazaki T, Yushmanov I, Zhang XY, Zhilin A, Zmeskal J; FOPI Collaboration, Bratkovskaya E, Cassing W.

Phys Rev Lett. 2009 May 8;102(18):182501. Epub 2009 May 4.PMID: 19518864 [PubMed]Related articles

Sandwich complexes of the metalloaromatic eta(3)-Al3R3 ligand.

Mercero JM, Piris M, Matxain JM, Lopez X, Ugalde JM.

J Am Chem Soc. 2009 May 27;131(20):6949-51.PMID: 19413334 [PubMed]Related articles

Spiroborate ester-mediated asymmetric synthesis of beta-hydroxy ethers and its conversion to highly enantiopure beta-amino ethers.

Huang K, Ortiz-Marciales M, Correa W, Pomales E, López XY.

J Org Chem. 2009 Jun 5;74(11):4195-202.PMID: 19413288 [PubMed - indexed for MEDLINE]Related articles

Thermally stable solids based on endohedrally doped ZnS clusters.

Matxain JM, Piris M, Lopez X, Ugalde JM.

Chemistry. 2009;15(20):5138-44.PMID: 19338037 [PubMed]Related articles

Modeling protein splicing: reaction pathway for C-terminal splice and intein scission.

Mujika JI, Lopez X, Mulholland AJ.

J Phys Chem B. 2009 Apr 23;113(16):5607-16.PMID: 19326906 [PubMed - indexed for MEDLINE]Related articles

Chromium removal from industrial water through functionallized nanoparticles.

López X, Castaño VM.

J Nanosci Nanotechnol. 2008 Nov;8(11):5733-8.PMID: 19198297 [PubMed - indexed for MEDLINE]Related articles

Trans-stereoselectivity in the reaction between homophthalic anhydride and imines.

Vara Y, Bello T, Aldaba E, Arrieta A, Pizarro JL, Arriortua MI, Lopez X, Cossío FP.

Org Lett. 2008 Nov 6;10(21):4759-62. Epub 2008 Sep 25.PMID: 18816130 [PubMed - indexed for MEDLINE]Related articles

Magnetic endohedral transition-metal-doped semiconducting-nanoclusters.

Matxain JM, Formoso E, Mercero JM, Piris M, Lopez X, Ugalde JM.

Chemistry. 2008;14(28):8547-54.PMID: 18668495 [PubMed]Related articles

A tale of two isomers (continued): is the phenyl hydride complex of chromium more stable than its benzene-bridged isomer?

Bénard M, Rohmer MM, López X, Theopold KH.

Angew Chem Int Ed Engl. 2008;47(30):5597-9. No abstract available. PMID: 18563763 [PubMed]Related articles

Electron-pair density relaxation holes.

Piris M, Lopez X, Ugalde JM.

J Chem Phys. 2008 Jun 7;128(21):214105.PMID: 18537413 [PubMed]Related articles

On the origin of alternating bond distortions and the emergence of chirality in polyoxometalate anions.

Yan L, López X, Carbó JJ, Sniatynsky R, Duncan DC, Poblet JM.

J Am Chem Soc. 2008 Jul 2;130(26):8223-33. Epub 2008 Jun 4.PMID: 18528985 [PubMed]Related articles

Family history of diabetes impacts on interactions between minimal model estimates of insulin sensitivity and glucose effectiveness.

Lopez X, Bouché C, Tatro E, Goldfine AB.

Diabetes Obes Metab. 2009 Feb;11(2):123-30. Epub 2008 Jun 1.PMID: 18518893 [PubMed - indexed for MEDLINE]Related articles

Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer.

Matxain JM, Rezabal E, Lopez X, Ugalde JM, Gagliardi L.

J Chem Phys. 2008 May 21;128(19):194315.PMID: 18500873 [PubMed]Related articles

Correlation holes for the helium dimer.

Piris M, Lopez X, Ugalde JM.

J Chem Phys. 2008 Apr 7;128(13):134102.PMID: 18397048 [PubMed]Related articles

Human insulin analog--induced lipoatrophy.

Lopez X, Castells M, Ricker A, Velazquez EF, Mun E, Goldfine AB.

Diabetes Care. 2008 Mar;31(3):442-4. Epub 2007 Dec 27.PMID: 18162498 [PubMed - indexed for MEDLINE]Related articlesFree article

Comparative normal mode analysis of LFA-1 integrin I-domains.

Gaillard T, Martin E, San Sebastian E, Cossío FP, Lopez X, Dejaegere A, Stote RH.

J Mol Biol. 2007 Nov 16;374(1):231-49. Epub 2007 Jul 12.PMID: 17919656 [PubMed - indexed for MEDLINE]Related articles

Polyoxometalates with internal cavities: redox activity, basicity, and cation encapsulation in [Xn+P5W30O110](15-n)- Preyssler complexes, with X = Na+, Ca2+, Y3+, La3+, Ce3+, and Th4+.

Fernandez JA, López X, Bo C, de Graaf C, Baerends EJ, Poblet JM.

J Am Chem Soc. 2007 Oct 10;129(40):12244-53. Epub 2007 Sep 14.PMID: 17854187 [PubMed]Related articles

Endohedral stannaspherenes Mn@Sn12 and its dimer: ferromagnetic or antiferromagnetic?

Matxain JM, Piris M, Formoso E, Mercero JM, Lopez X, Ugalde JM.

Chemphyschem. 2007 Oct 8;8(14):2096-9. No abstract available. PMID: 17722213 [PubMed]Related articles

Protein side chains facilitate Mg/Al exchange in model protein binding sites.

Rezabal E, Mercero JM, Lopez X, Ugalde JM.

Chemphyschem. 2007 Oct 8;8(14):2119-24.PMID: 17712827 [PubMed - indexed for MEDLINE]Related articles

A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities.

Rezabal E, Mercero JM, Lopez X, Ugalde JM.

J Inorg Biochem. 2007 Sep;101(9):1192-200. Epub 2007 Jun 12.PMID: 17659345 [PubMed - indexed for MEDLINE]Related articles

Metal ion dependent adhesion sites in integrins: a combined DFT and QMC study on Mn2+.

Sebastian ES, Matxain JM, Eriksson LA, Stote RH, Dejaegere A, Cossio FP, Lopez X.

J Phys Chem B. 2007 Aug 2;111(30):9099-103. Epub 2007 Jul 3.PMID: 17608410 [PubMed - indexed for MEDLINE]Related articles

Dispersion interactions within the Piris natural orbital functional theory: the helium dimer.

Piris M, Lopez X, Ugalde JM.

J Chem Phys. 2007 Jun 7;126(21):214103.PMID: 17567186 [PubMed]Related articles

Structural, magnetic, and theoretical characterization of a heterometallic polypyridylamide complex.

Rohmer MM, Liu IP, Lin JC, Chiu MJ, Lee CH, Lee GH, Bénard M, López X, Peng SM.

Angew Chem Int Ed Engl. 2007;46(19):3533-6. No abstract available. PMID: 17385776 [PubMed]Related articles

Influence of electron-attractor substituents on the magnetic properties of Ni(II) string complexes.

López X, Bénard M, Rohmer MM.

Inorg Chem. 2007 Jan 8;46(1):5-7.PMID: 17198405 [PubMed]Related articles

Even-numbered metal chain complexes: synthesis, characterization, and DFT analysis of [Ni4(mu4-Tsdpda)4(H2O)2] (Tsdpda2- = N-(p-toluenesulfonyl)dipyridyldiamido), [Ni4(mu4-Tsdpda)4]+, and related Ni4 string complexes.

López X, Huang MY, Huang GC, Peng SM, Li FY, Bénard M, Rohmer MM.

Inorg Chem. 2006 Oct 30;45(22):9075-84.PMID: 17054368 [PubMed]Related articles

Structural evolution in polyoxometalates: a DFT study of dimerization processes in Lindqvist and Keggin cluster anions.

López X, Weinstock IA, Bo C, Sarasa JP, Poblet JM.

Inorg Chem. 2006 Aug 7;45(16):6467-73.PMID: 16878960 [PubMed]Related articles

Reaction mechanism of the acidic hydrolysis of highly twisted amides: Rate acceleration caused by the twist of the amide bond.

Mujika JI, Formoso E, Mercero JM, Lopez X.

J Phys Chem B. 2006 Aug 3;110(30):15000-11.PMID: 16869615 [PubMed - indexed for MEDLINE]Related articles

Density functional study of the in-line mechanism of methanolysis of cyclic phosphate and thiophosphate esters in solution: insight into thio effects in RNA transesterification.

Liu Y, Gregersen BA, Lopez X, York DM.

J Phys Chem B. 2005 Oct 27;109(42):19987-20003.PMID: 16853584 [PubMed - indexed for MEDLINE]Related articles

Polyoxometalates in solution: Molecular dynamics simulations on the alpha-PW12O40(3-) Keggin anion in aqueous media.

López X, Nieto-Draghi C, Bo C, Avalos JB, Poblet JM.

J Phys Chem A. 2005 Feb 17;109(6):1216-22.PMID: 16833432 [PubMed]Related articles

Resonance structures of the amide bond: the advantages of planarity.

Mujika JI, Matxain JM, Eriksson LA, Lopez X.

Chemistry. 2006 Sep 18;12(27):7215-24.PMID: 16807968 [PubMed - indexed for MEDLINE]Related articles

Nucleophilic attack on phosphate diesters: a density functional study of in-line reactivity in dianionic, monoanionic, and neutral systems.

Lopez X, Dejaegere A, Leclerc F, York DM, Karplus M.

J Phys Chem B. 2006 Jun 15;110(23):11525-39.PMID: 16771429 [PubMed - indexed for MEDLINE]Related articles

Structure and magnetism of [M3](6/7+) metal chain complexes from density functional theory: analysis for copper and predictions for silver.

Bénard M, Berry JF, Cotton FA, Gaudin C, López X, Murillo CA, Rohmer MM.

Inorg Chem. 2006 May 15;45(10):3932-40.PMID: 16676951 [PubMed - indexed for MEDLINE]Related articles

QCRNA 1.0: a database of quantum calculations for RNA catalysis.

Giese TJ, Gregersen BA, Liu Y, Nam K, Mayaan E, Moser A, Range K, Faza ON, Lopez CS, de Lera AR, Schaftenaar G, Lopez X, Lee TS, Karypis G, York DM.

J Mol Graph Model. 2006 Dec;25(4):423-33. Epub 2006 Apr 3.PMID: 16580853 [PubMed - indexed for MEDLINE]Related articles

On the affinity regulation of the metal-ion-dependent adhesion sites in integrins.

San Sebastian E, Mercero JM, Stote RH, Dejaegere A, Cossío FP, Lopez X.

J Am Chem Soc. 2006 Mar 22;128(11):3554-63.PMID: 16536528 [PubMed - indexed for MEDLINE]Related articles

Redox properties of polyoxometalates: new insights on the anion charge effect.

López X, Fernández JA, Poblet JM.

Dalton Trans. 2006 Mar 7;(9):1162-7. Epub 2005 Nov 10.PMID: 16482352 [PubMed]Related articlesFree article

A study of the coordination shell of aluminum(III) and magnesium(II) in model protein environments: thermodynamics of the complex formation and metal exchange reactions.

Rezabal E, Mercero JM, Lopez X, Ugalde JM.

J Inorg Biochem. 2006 Mar;100(3):374-84. Epub 2006 Feb 7.PMID: 16455140 [PubMed - indexed for MEDLINE]Related articles

Optical absorption of the blue fluorescent protein: a first-principles study.

Lopez X, Marques MA, Castro A, Rubio A.

J Am Chem Soc. 2005 Sep 7;127(35):12329-37.PMID: 16131211 [PubMed - indexed for MEDLINE]Related articles

Kinetic isotope effects on thio-substituted biological phosphoryl transfer reactions from density-functional theory.

Liu Y, Lopez X, York DM.

Chem Commun (Camb). 2005 Aug 21;(31):3909-11. Epub 2005 Jul 6.PMID: 16075068 [PubMed - indexed for MEDLINE]Related articlesFree article

Non-Born-Oppenheimer treatment of the H2 Hookean molecule.

Ludeña EV, Lopez X, Ugalde JM.

J Chem Phys. 2005 Jul 8;123(2):24102.PMID: 16050736 [PubMed]Related articles

Water-promoted hydrolysis of a highly twisted amide: rate acceleration caused by the twist of the amide bond.

Mujika JI, Mercero JM, Lopez X.

J Am Chem Soc. 2005 Mar 30;127(12):4445-53.PMID: 15783227 [PubMed - indexed for MEDLINE]Related articles

DFT study on the five isomers of PW(12)O(40)(3)(-): relative stabilization upon reduction.

López X, Poblet JM.

Inorg Chem. 2004 Nov 1;43(22):6863-5.PMID: 15500315 [PubMed]Related articles

Pseudorotation of natural and chemically modified biological phosphoranes: implications for RNA catalysis.

López CS, Faza ON, Gregersen BA, Lopez X, de Lera AR, York DM.

Chemphyschem. 2004 Jul 19;5(7):1045-9. No abstract available. Erratum in: Chemphyschem. 2004 Sep 20;5(9):1266. PMID: 15298394 [PubMed - indexed for MEDLINE]Related articles

A reinterpretation of the nature of the Fermi hole.

Ludeña EV, Ugalde JM, Lopez X, Fernández-Rico J, Ramírez G.

J Chem Phys. 2004 Jan 8;120(2):540-7.PMID: 15267888 [PubMed]Related articles

Nuclear stopping from 0.09A to 1.93A GeV and its correlation to flow.

Reisdorf W, Andronic A, Gobbi A, Hartmann ON, Herrmann N, Hildenbrand KD, Kim YJ, Kirejczyk M, Koczoń P, Kress T, Leifels Y, Schüttauf A, Tymiński Z, Xiao ZG, Alard JP, Barret V, Basrak Z, Bastid N, Benabderrahmane ML, Caplar R, Crochet P, Dupieux P, Dzelalija M, Fodor Z, Grishkin Y, Hong B, Kecskemeti J, Korolija M, Kotte R, Lebedev A, Lopez X, Merschmeyer M, Mösner J, Neubert W, Pelte D, Petrovici M, Rami F, de Schauenburg B, Seres Z, Sikora B, Sim KS, Simion V, Siwek-Wilczyńska K, Smolyankin V, Stockmeier M, Stoicea G, Wagner P, Wiśniewski K, Wohlfarth D, Yushmanov I, Zhilin A; FOPI Collaboration.

Phys Rev Lett. 2004 Jun 11;92(23):232301. Epub 2004 Jun 11.PMID: 15245151 [PubMed]Related articles

Are the solvent effects critical in the modeling of polyoxoanions?

López X, Fernández JA, Romo S, Paul JF, Kazansky L, Poblet JM.

J Comput Chem. 2004 Sep;25(12):1542-9.PMID: 15224398 [PubMed]Related articles

Hybrid QM/MM study of thio effects in transphosphorylation reactions: the role of solvation.

Gregersen BA, Lopez X, York DM.

J Am Chem Soc. 2004 Jun 23;126(24):7504-13.PMID: 15198597 [PubMed - indexed for MEDLINE]Related articles

Quantitative evaluation of the catalytic activity of dendrimers with only one active center at the core: application to the nitroaldol (Henry) reaction.

Zubia A, Cossío FP, Morao I, Rieumont M, Lopez X.

J Am Chem Soc. 2004 Apr 28;126(16):5243-52.PMID: 15099109 [PubMed]Related articles

First isolated active titanium peroxo complex: characterization and theoretical study.

Kholdeeva OA, Trubitsina TA, Maksimovskaya RI, Golovin AV, Neiwert WA, Kolesov BA, López X, Poblet JM.

Inorg Chem. 2004 Apr 5;43(7):2284-92.PMID: 15046503 [PubMed]Related articles