Search Results - "Rodríguez G, José"
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Is there a possibility of ranking benthic quality assessment indices to select the most responsive to different human pressures?
Published in Marine pollution bulletin (15-08-2015)“…•35 benthic quality indices are described and analysed.•Its response to 15 human pressures was analysed.•A rank was established with geographical province,…”
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‘The past is the future of the present’: Learning from long-time series of marine monitoring
Published in The Science of the total environment (01-10-2016)“…Using a long-term (1995–2014) monitoring network, from 51 sampling stations in estuaries and coasts of the Basque Country (Bay of Biscay), the objective of…”
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Density Functional Theory and Electrochemical Studies: Structure–Efficiency Relationship on Corrosion Inhibition
Published in Journal of chemical information and modeling (23-11-2015)“…The relationship between structure and corrosion inhibition of a series of 30 imidazol, benzimidazol, and pyridine derivatives has been established through the…”
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New QSPR model for prediction of corrosion inhibition using conceptual density functional theory
Published in Journal of molecular modeling (01-08-2022)“…The relationship between structure and corrosion inhibition of a series of twenty-eight quinoline and pyridine derivatives has been established through the…”
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Nematicidal activity of furanoeremophilenes against Meloidogyne incognita and Nacobbus aberrans
Published in Pest management science (01-06-2022)“…BACKGROUND While searching for novel small molecules for new organic pesticide agents against plant‐parasitic nematodes, we found that the hexane extract from…”
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QSTR Modeling to Find Relevant DFT Descriptors Related to the Toxicity of Carbamates
Published in Molecules (Basel, Switzerland) (28-08-2022)“…Compounds containing carbamate moieties and their derivatives can generate serious public health threats and environmental problems due their high potential…”
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3‑Benzylaminomethyl Lithocholic Acid Derivatives Exhibited Potent and Selective Uncompetitive Inhibitory Activity Against Protein Tyrosine Phosphatase 1B (PTP1B)
Published in ACS omega (30-07-2024)“…Protein tyrosine phosphatase 1B (PTP1B) is a promising drug target for treating type 2 diabetes (T2DM) and obesity. As a result, developing new therapies that…”
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Synthesis of organotin(IV) heterocycles containing a xanthenyl group by a Barbier approach via ultrasound activation: synthesis, crystal structure and Hirshfeld surface analysis
Published in Acta crystallographica. Section C, Crystal structure communications (01-08-2024)“…A series of organotin heterocycles of general formula [{Me2C(C6H3CH2)2O}SnR2] [R = methyl (Me, 4), n‐butyl (n‐Bu, 5), benzyl (Bn, 6) and phenyl (Ph, 7)] was…”
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119Sn NMR characterization, X-ray structural studies, and Hirshfeld surface analysis of organotin(IV) macroheterocycles synthesized by a Barbier approach via ultrasound activation
Published in Structural chemistry (01-04-2024)“…Two series of dinuclear organotin macroheterocycles of general formula [R 2 Sn{ Ch (C 6 H 4 CH 2 ) 2 } 2 SnR 2 ] [ Ch = O with R = n -Bu ( 2a ), Bn ( 3a ),…”
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Bridging the Gaps between Circulating Tumor Cells and DNA Methylation in Prostate Cancer
Published in Cancers (21-08-2021)“…Prostate cancer is the second most common male malignancy, with a highly variable clinical presentation and outcome. Therefore, diagnosis, prognostication, and…”
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Revisional Surgery Following Laparoscopic Gastric Plication
Published in Obesity surgery (2017)“…Background The laparoscopic gastric plication (LGP) is a relative new bariatric procedure that has gained popularity over the last few years, but no real…”
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Cu(I) and Pd(II) complexes containing β-thioketoiminate ligands and their evaluation as potential redox mediators for electrochemical biosensors
Published in Inorganica Chimica Acta (01-01-2021)“…[Cu(I)(SacNacDipp)(PPh3)] as redox mediator for glucose determination biosensor using the enzyme glucose oxidase. [Display omitted] •Two new…”
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Subtle C–H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence
Published in Crystal growth & design (06-08-2014)“…This report illustrates a successful C–H···Hal synthon-directed strategy to promote supramolecular aggregation of molecular luminescent complexes 1–6 into two-…”
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Synthesis of a Self-Assembled Hg(II)-Dithiocarbamate Metallomacrocycle
Published in Crystal growth & design (07-05-2014)“…This report illustrates a successful mercury-directed self-assembly strategy via the design and synthesis of a new bifunctional bis-dithiocarbamate ligand K2L…”
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A new computational model for the prediction of toxicity of phosphonate derivatives using QSPR
Published in Molecular diversity (01-05-2018)“…Structural and electronic properties of a series of 25 phosphonate derivatives were analyzed applying density functional theory, with the exchange-correlation…”
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Reduced density gradient as a novel approach for estimating QSAR descriptors, and its application to 1, 4-dihydropyridine derivatives with potential antihypertensive effects
Published in Journal of molecular modeling (01-12-2016)“…The relationship between the chemical structure and biological activity (log IC 50 ) of 40 derivatives of 1,4-dihydropyridines (DHPs) was studied using density…”
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Coordination diversity in tin compounds with bis(benzoxazole)phenol as a polydentate ligand: Synthesis and crystal structure studies
Published in Journal of coordination chemistry (17-11-2018)“…The reaction of 2,6-bis(benzoxazolyl)-4-tert-butylphenol (HL) with [ n Bu x SnCl 4− x ] (x = 0, 1) in 1:1 stoichiometry yielded the tin coordination complexes…”
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Development of a predictive model for corrosion inhibition of carbon steel by imidazole and benzimidazole derivatives
Published in Corrosion science (01-07-2016)“…[Display omitted] •Different functional groups in imidazole inhibitors modify the corrosion behavior.•Molecular properties can be associated to corrosion…”
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A Macrocyclic Dimeric Diterpene with a C2 Symmetry Axis
Published in Organic letters (20-09-2013)“…An unprecedented macrocyclic dimeric diterpene containing a C2 symmetry axis was isolated from Acacia schaffneri . This compound, named schaffnerine, was…”
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