Search Results - "Albertí, M."

Ar Solvation Shells in K+–HFBz: From Cluster Rearrangement to Solvation Dynamics by Albertí, M, Lago, N. Faginas, Pirani, F

“…The effect of some leading intermolecular interaction components on specific features of weakly bound clusters involving an aromatic molecule, a closed shell…”
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Benzene water interaction: From gaseous dimers to solvated aggregates by Albertí, M., Faginas Lago, N., Pirani, F.

“…Isosurface (isovalue=0.67) plot of water probability density surrounding the benzene molecule. [Display omitted] ► We implemented a intermolecular potential to…”
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From the (NH3)2–5 clusters to liquid ammonia: Molecular dynamics simulations using the NVE and NpT ensembles by Albertí, M., Amat, A., Farrera, Ll, Pirani, F.

“…A force field for the intermolecular NH3–NH3 interaction has been constructed and applied to characterize in detail the ammonia behavior in different…”
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18F-FDG PET/CT in the evaluation of POEMS syndrome by Albertí, M.A, Martinez-Yélamos, S, Fernandez, A, Vidaller, A, Narváez, J.A, Cano, L.M, Gamez, C, Martinez-Matos, J.A

“…Abstract In POEMS syndrome the identification and biopsy of an osteosclerotic lesion or a lymph node typical of Castleman's disease (CD) is essential to…”
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The Circadian Syndrome: is the Metabolic Syndrome and much more by Zimmet, P., Alberti, K. G. M. M., Stern, N., Bilu, C., El‐Osta, A., Einat, H., Kronfeld‐Schor, N.

“…The Metabolic Syndrome is a cluster of cardio‐metabolic risk factors and comorbidities conveying high risk of both cardiovascular disease and type 2 diabetes…”
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Modelization of the H 2 adsorption on graphene and molecular dynamics simulation by Faginas-Lago, N, Md Bin Yeamin, Sánchez-Marín, J, Cuesta, I G, Albertí, M, Sánchez de Merás, Alfredo

“…In the search for efficient molecular dynamics simulation models both simplicity and acceptable accuracy matter. In the present study, a model of the graphene-…”
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Atom−Bond Pairwise Additive Representation for Cation−Benzene Potential Energy Surfaces:  An ab Initio Validation Study by Albertí, M, Aguilar, A, Lucas, J. M, Pirani, F, Cappelletti, D, Coletti, C, Re, N

“…The achievement of extensive and meaningful molecular dynamics simulations requires both the detailed knowledge of the basic features of the intermolecular…”
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Anion−π Interactions in Bisadenine Derivatives:  A Combined Crystallographic and Theoretical Study by Garcia-Raso, Angel, Albertí, Francisca M, Fiol, Juan J, Tasada, Andres, Barceló-Oliver, Miquel, Molins, Elies, Escudero, Daniel, Frontera, Antonio, Quiñonero, David, Deyà, Pere M

“…In this manuscript we report a high-level ab initio study of anion−π interactions involving N 9-methyl-adenine, N 6-methyl-adenine, N 9-methyl-hypoxanthine, a…”
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ITEMAS ontology for healthcare technology innovation by Moreno-Conde, A, Parra-Calderón, Carlos Luis, Sánchez-Seda, S, Escobar-Rodríguez, G A, López-Otero, M, Cussó, L, Del-Cerro-García, R, Segura-Sánchez, M, Herrero-Urigüen, L, Martí-Ras, N, Albertí-Ibarz, M, Desco, M

“…The Platform for Innovation in Medical and Health Technologies (ITEMAS) is a network of 66 healthcare centres focused on fostering innovation in medical and…”
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Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands by Tasada, Andres, Albertí, Francisca M, Bauzá, Antonio, Barceló-Oliver, Miquel, García-Raso, Angel, Fiol, Juan J, Molins, Elies, Caubet, Amparo, Frontera, Antonio

“…Two self-assembled hosts are formed from Ag(I) salts and bis-pyrimidyl ligands and X-ray characterized. Both are able to incorporate two anions into the…”
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Mixed Adenine/Guanine Quartets with Three trans-a2PtII (a=NH3 or MeNH2) Cross-Links: Linkage and Rotational Isomerism, Base Pairing, and Loss of NH3 by Albertí, Francisca M., Rodríguez-Santiago, Luis, Sodupe, Mariona, Mirats, Andrea, Kaitsiotou, Helena, Sanz Miguel, Pablo J., Lippert, Bernhard

“…Of the numerous ways in which two adenine and two guanines (N9 positions blocked in each) can be cross‐linked by three linear metal moieties such as…”
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The metabolic syndrome—a new worldwide definition by Alberti, K George MM, Zimmet, Paul, Shaw, Jonathan

“…Central obesity, as assessed by waist circumference, was agreed as essential (panel), because of the strength of the evidence linking waist circumference with…”
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Competitive Role of CH4–CH4 and CH−π Interactions in C6H6–(CH4) n Aggregates: The Transition from Dimer to Cluster Features by Albertí, M, Aguilar, A, Lucas, J. M, Pirani, F

“…The intermolecular methane–methane and benzene (Bz)–methane interactions formulated in this paper are suitable to investigate systems of increasing complexity…”
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Reversible acute leukoencephalopathy as a form of presentation in cerebral amyloid angiopathy by Cano, L.M, Martínez-Yélamos, S, Majós, C, Albertí, M.A, Boluda, S, Velasco, R, Rubio, F

“…Abstract Background Cerebral amyloid angiopathy (CAA) may present as cerebral haemorrhage, cerebral infarction and periventricular white matter lesions…”
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2-Aminopyrimidine Derivatives Exhibiting Anion-π Interactions: A Combined Crystallographic and Theoretical Study by García-Raso, Angel, Albertí, Francisca M, Fiol, Juan J, Tasada, Andrés, Barceló-Oliver, Miquel, Molins, Elies, Estarellas, Carolina, Frontera, Antonio, Quiñonero, David, Deyà, Pere M

“…In this manuscript, we report the synthesis and the solid-state characterization of five new compounds based on the 2-aminopyrimidine building block. Some of…”
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C3-Symmetric Pt3Pd3 Purine Vases Based on a Metal Coordination Motif Involving the Pyrimidinic N1 and N3 Sites by Ibáñez, Susana, Albertí, Francisca M., Sanz Miguel, Pablo J., Lippert, Bernhard

“…Vase‐shaped hexanuclear (Pt3Pd3) complexes with 9‐alkylhypoxanthinate ligands bridging three (en)PdII units through N1 and N3 sites are reported, which bind…”
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Construction of preorganized uracil based polytopic tectons for hydrogen-bonded supramolecular architectures by Chakraborty, Sourav, Sanz Miguel, Pablo J., Albertí, Francisca M., Das, Neeladri

“…► Preparation and characterization of uracil based polytopic tectons. ► First example of structurally characterized tetra-uracil conjugate. ► H-bonding network…”
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Metabolic syndrome-a new world-wide definition. A Consensus Statement from the International Diabetes Federation by Alberti, K. G. M. M., Zimmet, P., Shaw, J.

“…Aims  To establish a unified working diagnostic tool for the metabolic syndrome (MetS) that is convenient to use in clinical practice and that can be used…”
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PtII Coordination to N1 of 9-Methylguanine: Why it Facilitates Binding of Additional Metal Ions to the Purine Ring by Müller, Barbara, Shen, Wei-Zheng, Sanz Miguel, Pablo J., Albertí, Francisca M., van der Wijst, Tushar, Noguera, Marc, Rodríguez-Santiago, Luis, Sodupe, Mariona, Lippert, Bernhard

“…The preparation and X‐ray crystal structure analysis of {trans‐[Pt(MeNH2)2(9‐MeG‐N1)2]}⋅{3 K2[Pt(CN)4]}⋅6 H2O (3 a) (with 9‐MeG being the anion of…”
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Synthesis, X-ray characterization and computational Studies of N-imidazolyl and N-pyrazolyl pyrimidine derivatives by Torres, Marta, Cañellas, Pablo, Estarellas, Carolina, García-Raso, Angel, Fiol, Juan J., Albertí, Francisca M., Frontera, Antonio, Molins, Elies, Mata, Ignasi, Deyà, Pere M.

“…In this manuscript we report the synthesis and X-ray characterization of neutral 2-(1H-imidazol-1-yl)-pyrimidine (1), 2-(1H-pyrazol-1-yl)-pyrimidine (2) and…”
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