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Items: 45

1.

Interlaboratory Comparative Study to Detect Potentially Infectious Human Enteric Viruses in Influent and Effluent Waters.

Randazzo W, Piqueras J, Evtoski Z, Sastre G, Sancho R, Gonzalez C, Sánchez G.

Food Environ Virol. 2019 Dec;11(4):350-363. doi: 10.1007/s12560-019-09392-2. Epub 2019 Jun 1.

PMID:
31154654
2.

Dynamic Studies on Kinetic H2 /D2 Quantum Sieving in a Narrow Pore Metal-Organic Framework Grown on a Sensor Chip.

Paschke B, Denysenko D, Bredenkötter B, Sastre G, Wixforth A, Volkmer D.

Chemistry. 2019 Aug 14;25(46):10803-10807. doi: 10.1002/chem.201900889. Epub 2019 Jun 24.

PMID:
31136016
3.

Generation of the Thymine Triplet State by Through-Bond Energy Transfer.

Miro P, Gomez-Mendoza M, Sastre G, Cuquerella MC, Miranda MA, Marin ML.

Chemistry. 2019 May 17;25(28):7004-7011. doi: 10.1002/chem.201900830. Epub 2019 Apr 26.

PMID:
30920069
4.

Structure searching methods: general discussion.

Addicoat M, Adjiman CS, Arhangelskis M, Beran GJO, Brandenburg JG, Braun DE, Burger V, Burow A, Collins C, Cooper A, Day GM, Deringer VL, Dyer MS, Hare A, Jelfs KE, Keupp J, Konstantinopoulos S, Li Y, Ma Y, Marom N, McKay D, Mellot-Draznieks C, Mohamed S, Neumann M, Nilsson Lill S, Nyman J, Oganov AR, Price SL, Reutzel-Edens S, Ruggiero M, Sastre G, Schmid R, Schmidt J, Schön JC, Spackman P, Tsuzuki S, Woodley SM, Yang S, Zhu Q.

Faraday Discuss. 2018 Oct 26;211(0):133-180. doi: 10.1039/c8fd90030b. No abstract available.

PMID:
30307457
5.

Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion.

Addicoat M, Adjiman CS, Arhangelskis M, Beran GJO, Bowskill D, Brandenburg JG, Braun DE, Burger V, Cole J, Cruz-Cabeza AJ, Day GM, Deringer VL, Guo R, Hare A, Helfferich J, Hoja J, Iuzzolino L, Jobbins S, Marom N, McKay D, Mitchell JBO, Mohamed S, Neumann M, Nilsson Lill S, Nyman J, Oganov AR, Piaggi P, Price SL, Reutzel-Edens S, Rietveld I, Ruggiero M, Ryder MR, Sastre G, Schön JC, Taylor C, Tkatchenko A, Tsuzuki S, van den Ende J, Woodley SM, Woollam G, Zhu Q.

Faraday Discuss. 2018 Oct 26;211(0):325-381. doi: 10.1039/C8FD90031K. No abstract available.

PMID:
30302459
6.

Applications of crystal structure prediction - inorganic and network structures: general discussion.

Burger V, Claeyssens F, Davies DW, Day GM, Dyer MS, Hare A, Li Y, Mellot-Draznieks C, Mitchell JBO, Mohamed S, Oganov AR, Price SL, Ruggiero M, Ryder MR, Sastre G, Schön JC, Spackman P, Woodley SM, Zhu Q.

Faraday Discuss. 2018 Oct 26;211(0):613-642. doi: 10.1039/c8fd90034e. No abstract available.

PMID:
30298165
7.

Zeolite structure determination using genetic algorithms and geometry optimisation.

Liu X, Valero S, Argente E, Sastre G.

Faraday Discuss. 2018 Oct 26;211(0):103-115. doi: 10.1039/c8fd00035b.

PMID:
30039150
8.

Achieving Large Volumetric Gas Storage Capacity in Metal-Organic Frameworks by Kinetic Trapping: A Case Study of Xenon Loading in MFU-4.

Bunzen H, Kolbe F, Kalytta-Mewes A, Sastre G, Brunner E, Volkmer D.

J Am Chem Soc. 2018 Aug 15;140(32):10191-10197. doi: 10.1021/jacs.8b04582. Epub 2018 Aug 3.

PMID:
30024754
9.

Engineered contrast agents in a single structure for T1-T2 dual magnetic resonance imaging.

Cabrera-García A, Checa-Chavarria E, Pacheco-Torres J, Bernabeu-Sanz Á, Vidal-Moya A, Rivero-Buceta E, Sastre G, Fernández E, Botella P.

Nanoscale. 2018 Apr 5;10(14):6349-6360. doi: 10.1039/C7NR07948F.

PMID:
29560985
10.

Selecting strong Brønsted acid zeolites through screening from a database of hypothetical frameworks.

Matsuoka T, Baumes L, Katada N, Chatterjee A, Sastre G.

Phys Chem Chem Phys. 2017 Jun 7;19(22):14702-14707. doi: 10.1039/c7cp01778b.

PMID:
28540371
11.

Gas confinement in compartmentalized coordination polymers for highly selective sorption.

Giménez-Marqués M, Calvo Galve N, Palomino M, Valencia S, Rey F, Sastre G, Vitórica-Yrezábal IJ, Jiménez-Ruiz M, Rodríguez-Velamazán JA, González MA, Jordá JL, Coronado E, Espallargas GM.

Chem Sci. 2017 Apr 1;8(4):3109-3120. doi: 10.1039/c6sc05122g. Epub 2017 Feb 13.

12.

Mortality due to Respiratory Syncytial Virus. Burden and Risk Factors.

Geoghegan S, Erviti A, Caballero MT, Vallone F, Zanone SM, Losada JV, Bianchi A, Acosta PL, Talarico LB, Ferretti A, Grimaldi LA, Sancilio A, Dueñas K, Sastre G, Rodriguez A, Ferrero F, Barboza E, Gago GF, Nocito C, Flamenco E, Perez AR, Rebec B, Ferolla FM, Libster R, Karron RA, Bergel E, Polack FP.

Am J Respir Crit Care Med. 2017 Jan 1;195(1):96-103. doi: 10.1164/rccm.201603-0658OC.

PMID:
27331632
13.

An INS study of entrapped organic cations within the micropores of zeolite RTH.

Lemishko T, Simancas J, Hernández-Rodríguez M, Jiménez-Ruiz M, Sastre G, Rey F.

Phys Chem Chem Phys. 2016 Jun 29;18(26):17244-52. doi: 10.1039/c6cp00971a.

PMID:
27063287
14.

Triplet energy management between two signaling units through cooperative rigid scaffolds.

Miro P, Vayá I, Sastre G, Jiménez MC, Marin ML, Miranda MA.

Chem Commun (Camb). 2016 Jan 14;52(4):713-6. doi: 10.1039/c5cc08102e.

PMID:
26561577
15.

Configuration-Dependent Photoinduced Electron Transfer in Diastereomeric Naphthalene-Amino-Naphthalene Triads.

Nuin E, Sastre G, Pischel U, Andreu I, Miranda MA.

Chemistry. 2015 Sep 7;21(37):12940-6. doi: 10.1002/chem.201501008. Epub 2015 Jul 23.

PMID:
26215923
16.

Steric shielding vs. σ-π orbital interactions in triplet-triplet energy transfer.

Andreu I, Morera I, Palumbo F, Sastre G, Bosca F, Miranda MA.

Chem Sci. 2015 Jul 1;6(7):4035-4041. doi: 10.1039/c5sc00823a. Epub 2015 May 1.

17.

Screening of hypothetical metal-organic frameworks for H2 storage.

Gomez DA, Toda J, Sastre G.

Phys Chem Chem Phys. 2014 Sep 21;16(35):19001-10. doi: 10.1039/c4cp01848f.

PMID:
25093656
18.

Supra-molecular assembly of aromatic proton sponges to direct the crystallization of extra-large-pore zeotypes.

Martínez-Franco R, Sun J, Sastre G, Yun Y, Zou X, Moliner M, Corma A.

Proc Math Phys Eng Sci. 2014 Jun 8;470(2166):20140107.

19.

Unveiling the mechanism of selective gate-driven diffusion of CO2 over N2 in MFU-4 metal-organic framework.

Sastre G, van den Bergh J, Kapteijn F, Denysenko D, Volkmer D.

Dalton Trans. 2014 Jul 7;43(25):9612-9. doi: 10.1039/c4dt00365a.

PMID:
24831780
20.

Synthesis of a novel zeolite through a pressure-induced reconstructive phase transition process.

Jordá JL, Rey F, Sastre G, Valencia S, Palomino M, Corma A, Segura A, Errandonea D, Lacomba R, Manjón FJ, Gomis Ó, Kleppe AK, Jephcoat AP, Amboage M, Rodríguez-Velamazán JA.

Angew Chem Int Ed Engl. 2013 Sep 27;52(40):10458-62. doi: 10.1002/anie.201305230. Epub 2013 Aug 1.

PMID:
23913399
21.

CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units.

Schmieder P, Denysenko D, Grzywa M, Baumgärtner B, Senkovska I, Kaskel S, Sastre G, van Wüllen L, Volkmer D.

Dalton Trans. 2013 Aug 14;42(30):10786-97. doi: 10.1039/c3dt50787d. Epub 2013 Jun 18.

PMID:
23775495
22.

Drug-Drug Interactions within Protein Cavities Probed by Triplet-Triplet Energy Transfer.

Nuin E, Jiménez MC, Sastre G, Andreu I, Miranda MA.

J Phys Chem Lett. 2013 May 16;4(10):1603-7. doi: 10.1021/jz400640s. Epub 2013 Apr 25.

PMID:
26282966
23.

Macronutrients during pregnancy and life-threatening respiratory syncytial virus infections in children.

Ferolla FM, Hijano DR, Acosta PL, Rodríguez A, Dueñas K, Sancilio A, Barboza E, Caría A, Gago GF, Almeida RE, Castro L, Pozzolo C, Martínez MV, Grimaldi LA, Rebec B, Calvo M, Henrichsen J, Nocito C, González M, Barbero G, Losada JV, Caballero MT, Zurankovas V, Raggio M, Schavlovsky G, Kobylarz A, Wimmenauer V, Bugna J, Williams JV, Sastre G, Flamenco E, Pérez AR, Ferrero F, Libster R, Grijalva CG, Polack FP.

Am J Respir Crit Care Med. 2013 May 1;187(9):983-90. doi: 10.1164/rccm.201301-0016OC.

PMID:
23449690
24.

Simulating the properties of small pore silica zeolites using interatomic potentials.

Combariza AF, Gomez DA, Sastre G.

Chem Soc Rev. 2013 Jan 7;42(1):114-27. doi: 10.1039/c2cs35243e. Epub 2012 Sep 20.

PMID:
22996379
25.

Confinement effects in the hydrogen adsorption on paddle wheel containing metal-organic frameworks.

Gomez DA, Combariza AF, Sastre G.

Phys Chem Chem Phys. 2012 Feb 21;14(7):2508-17. doi: 10.1039/c2cp23146h. Epub 2012 Jan 17.

PMID:
22252608
26.

From microscopic insights of H2 adsorption to uptake estimations in MOFs.

Gomez DA, Sastre G.

Phys Chem Chem Phys. 2011 Oct 6;13(37):16558-68. doi: 10.1039/c1cp21865d. Epub 2011 Aug 23.

PMID:
21860867
27.

Dansyl labeling to modulate the relative affinity of bile acids for the binding sites of human serum albumin.

Rohacova J, Sastre G, Marin ML, Miranda MA.

J Phys Chem B. 2011 Sep 8;115(35):10518-24. doi: 10.1021/jp201788d. Epub 2011 Aug 17.

PMID:
21797258
28.

Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn4Cl4(Me2bta)6] (M(II) = Zn or Ru) featuring long-lived excited electronic states.

Liu YY, Grzywa M, Tonigold M, Sastre G, Schüttrigkeit T, Leeson NS, Volkmer D.

Dalton Trans. 2011 Jun 14;40(22):5926-38. doi: 10.1039/c0dt01750g. Epub 2011 May 3.

PMID:
21541388
29.

Ammonia IRMS-TPD measurements on Brønsted acidity of proton-formed SAPO-34.

Suzuki K, Nishio T, Katada N, Sastre G, Niwa M.

Phys Chem Chem Phys. 2011 Feb 28;13(8):3311-8. doi: 10.1039/c0cp00961j. Epub 2010 Dec 20.

PMID:
21170432
30.

Modular organic structure-directing agents for the synthesis of zeolites.

Simancas R, Dari D, Velamazán N, Navarro MT, Cantín A, Jordá JL, Sastre G, Corma A, Rey F.

Science. 2010 Nov 26;330(6008):1219-22. doi: 10.1126/science.1196240.

31.

Multifunctional hybrid organic-inorganic catalytic materials with a hierarchical system of well-defined micro- and mesopores.

Corma A, Díaz U, García T, Sastre G, Velty A.

J Am Chem Soc. 2010 Oct 27;132(42):15011-21. doi: 10.1021/ja106272z.

PMID:
20879788
32.

Quantum-chemistry calculations of hydrogen adsorption in MOF-5.

Gomez DA, Combariza AF, Sastre G.

Phys Chem Chem Phys. 2009 Oct 28;11(40):9250-8. doi: 10.1039/b909021e. Epub 2009 Aug 17.

PMID:
19812846
33.

A zeolitic structure (ITQ-34) with connected 9- and 10-ring channels obtained with phosphonium cations as structure directing agents.

Corma A, Diaz-Cabanas MJ, Jorda JL, Rey F, Sastre G, Strohmaier KG.

J Am Chem Soc. 2008 Dec 10;130(49):16482-3. doi: 10.1021/ja806903c. No abstract available.

PMID:
19049445
34.

Ammonia IRMS-TPD measurements and DFT calculation on acidic hydroxyl groups in CHA-type zeolites.

Suzuki K, Sastre G, Katada N, Niwa M.

Phys Chem Chem Phys. 2007 Dec 7;9(45):5980-7. Epub 2007 Oct 10.

PMID:
18004410
35.

A computational chemistry insight in the role of structure directing agents in the synthesis of zeolites.

Sastre G.

Phys Chem Chem Phys. 2007 Mar 7;9(9):1052-8. Epub 2007 Jan 18.

PMID:
17311146
36.

Computational study of location and role of fluoride in zeolite structures.

Pulido A, Corma A, Sastre G.

J Phys Chem B. 2006 Nov 30;110(47):23951-61.

PMID:
17125363
37.

Rings and strain in pure silica zeolites.

Sastre G, Corma A.

J Phys Chem B. 2006 Sep 14;110(36):17949-59.

PMID:
16956286
38.

Computational study of 19F NMR spectra of double four ring-containing Si/Ge-zeolites.

Pulido A, Sastre G, Corma A.

Chemphyschem. 2006 May 12;7(5):1092-9.

PMID:
16612799
39.
40.

A multisite molecular mechanism for Baeyer-Villiger oxidations on solid catalysts using environmentally friendly H2O2 as oxidant.

Boronat M, Corma A, Renz M, Sastre G, Viruela PM.

Chemistry. 2005 Nov 18;11(23):6905-15.

PMID:
16163761
41.

Pentacoordinated germanium in AST zeolite synthesised in fluoride media. A 19F NMR validated computational study.

Sastre G, Pulido A, Corma A.

Chem Commun (Camb). 2005 May 14;(18):2357-9. Epub 2005 Mar 15.

PMID:
15877127
42.

Synthesis, characterization, and framework heteroatom localization in ITQ-21.

Blasco T, Corma A, Díaz-Cabañas MJ, Rey F, Rius J, Sastre G, Vidal-Moya JA.

J Am Chem Soc. 2004 Oct 20;126(41):13414-23.

PMID:
15479098
43.

Preferential location of Ge atoms in polymorph C of beta zeolite (ITQ-17) and their structure-directing effect: a computational, XRD, and NMR spectroscopic study.

Sastre G, Vidal-Moya JA, Blasco T, Rius J, Jordá JL, Navarro MT, Rey F, Corma A.

Angew Chem Int Ed Engl. 2002 Dec 16;41(24):4722-6. No abstract available.

PMID:
12481338
44.

Her-2/neu oncogene expression in Puerto Rican females with breast cancer.

Peredo R, Sastre G, Serrano J, Hunter Mellado R.

Cell Mol Biol (Noisy-le-grand). 2001 Sep;47(6):1025-32.

PMID:
11785652
45.

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