Resultados totales (Incluyendo duplicados): 45302
Encontrada(s) 4531 página(s)
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339233
Dataset. 2023

SUPPORTING INFORMATION FOR COMPETITION BETWEEN N,C,N-PINCER AND N,N-CHELATE LIGANDS IN PLATINUM(II)

  • Esteruelas, Miguel A.
  • Moreno-Blázquez, Sonia
  • Oliván, Montserrat
  • Oñate, Enrique
General information for the experimental section; NMR spectra; equilibrium and kinetic analysis for complexes 11 and 12; structural analysis of complexes 9, 12b, 15c, 17, and 18; computational details; energies of optimized structures; observed and calculated UV–vis spectra of complexes 7–10 and 16–18; analysis of computed UV/vis data; theoretical analysis of molecular orbitals; cyclic voltammograms of complexes 7–10 and 16–18; and photophysical studies (PDF). Atomic coordinates of optimized complexes (XYZ)., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/339233
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339233
HANDLE: http://hdl.handle.net/10261/339233
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339233
PMID: http://hdl.handle.net/10261/339233
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339233
Ver en: http://hdl.handle.net/10261/339233
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339233

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339234
Dataset. 2023

CYCLIC DI-AMP TRAPS PROTON-COUPLED K+ TRANSPORTERS OF THE KUP FAMILY IN AN INWARD-OCCLUDED CONFORMATION. SUPPLEMENTARY INFORMATION

  • Fuss, Michael F.
  • Wieferig, Jan-Philip
  • Corey, Robin A.
  • Hellmich, Yvonne
  • Tascón, Igor
  • Sousa, Joana S.
  • Stansfeld, Phillip J.
  • Vonck, Janet
  • Hänelt, Inga
Supplementary Figures 1-13. -- Supplementary Table 1: Primer used for site-directed mutagenesis in pB24kimA. -- Supplementary Table 2: Cryo-EM data collection, refinement and model statistics. -- Movie 1: Cooperativity Network mobility of CDs in the absence of c-di-AMP. Movie showing the dynamics of selected residues in the KimA cytosolic domain in the absence of c-di-AMP. Movie made over a single 2.2 μs simulation trajectory using VMD, region viewed as in figure 3a. -- Movie 2: Cooperativity Network mobility of CDs in the presence of c-di-AMP. Movie showing the dynamics of selected residues in the KimA cytosolic domain in the presence of two bound c-di-AMP. Movie made over a single 2.2 μs simulation trajectory using VMD, region viewed as in figure 3a. -- Cooperativity Network mobility of CDs in the presence of only one. Movie showing the dynamics of selected residues in the KimA cytosolic domain in the presence of only one bound c-di-AMP. Movie made over a single 0.5 μs simulation trajectory using VMD, region viewed as in figure 3a., Cyclic di-AMP_Supplementary_material.pdf, Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/339234
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339234
HANDLE: http://hdl.handle.net/10261/339234
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339234
PMID: http://hdl.handle.net/10261/339234
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339234
Ver en: http://hdl.handle.net/10261/339234
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339234

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339242
Dataset. 2023

SUPPORTING INFORMATION: ENANTIOSELECTIVE C−P BOND FORMATION THROUGH C(SP3)−H FUNCTIONALIZATION

  • Ardevines, Sandra
  • Horn, Devan
  • Alegre-Requena, Juan V.
  • González-Jiménez, Marta
  • Gimeno, M. Concepción
  • Marqués-López, Eugenia
  • Herrera, Raquel P.
1. Screening 2. Representative procedure for the organocatalyzed hydrophosphonylation reaction of carbonyl compounds generated in situ after oxidation of the starting alcohols 3. Representative procedure for the organocatalyzed hydrophosphonylation reaction starting from aldehydes 4. 1H, 13C{1H}-APT and 31P{1H} NMR spectra 5. HPLC chromatograms for final α-hydroxyphosphonates 5, Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/339242
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339242
HANDLE: http://hdl.handle.net/10261/339242
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339242
PMID: http://hdl.handle.net/10261/339242
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339242
Ver en: http://hdl.handle.net/10261/339242
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339242

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339254
Dataset. 2023

SUPPLEMENTARY MATERIAL METABOLIC RESPONSE OF INTESTINAL MICROBIOTA TO GUAR GUM CONSUMPTION

  • Barber, Claudia
  • Sabater, Carlos
  • Guarner, Francisco
  • Margolles Barros, Abelardo
  • Azpiroz, Fernando
Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/339254
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339254
HANDLE: http://hdl.handle.net/10261/339254
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339254
PMID: http://hdl.handle.net/10261/339254
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339254
Ver en: http://hdl.handle.net/10261/339254
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339254

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339265
Dataset. 2023

SUPPORTING INFORMATION: FLUORESCENCE AMPLIFICATION OF UNSATURATED OXAZOLONES USING PALLADIUM: PHOTOPHYSICAL AND COMPUTATIONAL STUDIES

  • Dalmau, David
  • Crespo, Olga
  • Matxain, Jon M.
  • Urriolabeitia, Esteban P.
Complete experimental section; copies of 1H and 13C NMR spectra for all new compounds; copies of the absorption (UV–vis) and excitation/emission spectra of complexes 3–6; decay curves and fitting data for the determination of the half-life time of complexes 3–6; Cartesian coordinates of all new optimized complexes 3–6 in the ground state using the wB97XD and M06-2X functionals; Cartesian coordinates of S1 optimized geometries using the wB97XD and M06-2X functionals; tables of calculated orbital energies (Hartree) and metal participation, along with the HOMO–LUMO gap (eV) using the wB97XD and M06-2X functionals for the ground state of 3–6; tables with the calculated vertical transitions for the lowest T1, T2, T3, S1, and S2 excited states of 3–6 with the wB97XD and M06-2X functionals; tables with the calculated emission properties from the S1 optimized geometry for the lowest T1, T2, T3, S1, and S2 excited states of 3–6 with the wB97XD and M06-2X functionals; crystallographic tables of compounds 1a, 1e, 3c, 3d, 3g and 7h; and discussion of the structures of compounds 1a, 1e, 3c, 3d, 3g, and 7h., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/339265
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339265
HANDLE: http://hdl.handle.net/10261/339265
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339265
PMID: http://hdl.handle.net/10261/339265
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339265
Ver en: http://hdl.handle.net/10261/339265
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339265

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339270
Dataset. 2023

SUPPORTING INFORMATION: STABILIZING Σ-HOLE DIMETHYL INTERACTIONS

  • Keshtkar, Noushin
  • Loveday, Oliver
  • Polo, Víctor
  • Echeverría, Jorge
Complete EDA and QTAIM results, MP2 optimizations, and a text file of all computed molecule Cartesian coordinates in a format for convenient visualization., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/339270
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339270
HANDLE: http://hdl.handle.net/10261/339270
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339270
PMID: http://hdl.handle.net/10261/339270
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339270
Ver en: http://hdl.handle.net/10261/339270
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339270

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339273
Dataset. 2023

SUPPORTING INFORMATION: STRUCTURE AND BONDING OF HALONIUM COMPOUNDS

  • Velásquez, Juan D.
  • Echeverría, Jorge
  • Alvarez, Santiago
Cartesian coordinates of all optimized systems (xyz); benchmarking studies for the [N···I···N]+ halonium system; analysis of the molecular electrostatic potential; analysis of the interaction energies; and complete results of the energy decomposition analysis and structural searches., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/339273
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339273
HANDLE: http://hdl.handle.net/10261/339273
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339273
PMID: http://hdl.handle.net/10261/339273
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339273
Ver en: http://hdl.handle.net/10261/339273
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339273

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339315
Dataset. 2023

SUPPLEMENTARY MATERIALS FOR DYNAMICS-INFORMED DECONVOLUTIONAL NEURAL NETWORKS FOR SUPER-RESOLUTION IDENTIFICATION OF REGIME CHANGES IN EPIDEMIOLOGICAL TIME SERIES

  • Vilar, Jose M. G.
  • Saiz, Leonor
1 table. -- Table S1 caption. Description of the major NPIs considered., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/339315
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339315
HANDLE: http://hdl.handle.net/10261/339315
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339315
PMID: http://hdl.handle.net/10261/339315
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339315
Ver en: http://hdl.handle.net/10261/339315
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339315

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339322
Dataset. 2023

SUPPLEMENTARY INFORMATION FOR EFFECT OF ATG12–ATG5-ATG16L1 AUTOPHAGY E3-LIKE COMPLEX ON THE ABILITY OF LC3/GABARAP PROTEINS TO INDUCE VESICLE TETHERING AND FUSION

  • Iriondo, Marina N.
  • Etxaniz, Asier
  • Varela, Yaiza R.
  • Ballesteros, Uxue
  • Lázaro, Melisa
  • Valle, Mikel
  • Fracchiolla, Dorotea
  • Martens, Sascha
  • Montes, L. Ruth
  • Goñi, Félix M.
  • Alonso, Alicia
15 pages. -- This file includes: Supp. Fig. 1-13. -- Supp. Table 1. List of protein constructs used in this work: vector, expression system, detailed protein encoded, and reference study., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/339322
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339322
HANDLE: http://hdl.handle.net/10261/339322
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339322
PMID: http://hdl.handle.net/10261/339322
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339322
Ver en: http://hdl.handle.net/10261/339322
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339322

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339329
Dataset. 2023

SUPPLEMENTARY DATA FOLDED: A TOOLKIT TO DESCRIBE MAMMALIAN HERBIVORE DENTITION FROM 2D IMAGES

  • Sanisidro, Óscar
  • Arganda-Carreras, Ignacio
  • Cantalapiedra, Juan L.
Supplementary Data 1: ‘folded’ user guide. -- Supplementary Data 2: effect of image size and orientation. -- Supplementary Data 3: allometric scaling. -- Supplementary Data 4: additional tests. -- Supplementary table captions. -- Table S1. Sheet 1 ‘Rhinocerotidae’: dataset with the Rhinocerotidae dental sample used in the present study. Included references are detailed in this section. Sheet 2 ‘Additional samples’: ancillary information of the dental sample used in Supplementary Data 4. Included references are detailed in this section. -- Table S2. Selected parameters generated by our workflow on the Rhinocerotidae dataset included in Table S1 – Sheet 1. -- Table S3. Results of ordinary and phylogenetic regression tests. See Supplementary Data 2: allometric scaling (included in the Supplementary text). -- Supplementary figures S1–S8., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/339329
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339329
HANDLE: http://hdl.handle.net/10261/339329
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339329
PMID: http://hdl.handle.net/10261/339329
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339329
Ver en: http://hdl.handle.net/10261/339329
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/339329

Buscador avanzado