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Navas M.,Hospital Universitario Infanta LeonorMadrid | Quintero J.,University ComplutenseMadrid
Medicine (Spain) | Year: 2015

Mental illness during the perinatal period is quite frequent and is a major cause of morbidity and mortality for mothers and their children. It is recommended that professionals in contact with obstetric process have basic knowledge of psychopathology, and develop skills to assess the mental health of the mother with special attention to her previous psychiatric history. Women whose pregnancy or postpartum is complicated by a mental disease should have access to mental health care. It is importance the early diagnosis and treatment of these diseases, to improve prognosis and to promote a safety link between the mother with her baby, which is absolutely necessary for their physical and psychological development.

Wulandari M.,University ComplutenseMadrid | Wulandari M.,Bandung Institute of Technology | Urraca J.L.,University ComplutenseMadrid | Urraca J.L.,Complutense University of Madrid | And 3 more authors.
Analytical and Bioanalytical Chemistry | Year: 2015

This paper describes the synthesis of novel molecularly imprinted polymers (MIPs), prepared by a noncovalent imprinting approach, for cleanup and preconcentration of curcumin (CUR) and bisdemethoxycurcumin (BDMC) from medicinal herbal extracts and further analysis by high-performance liquid chromatography with fluorescence detection (HPLC-FLD). Two molecular mimics, a mixture of reduced BDMCs and 4-(4-hydroxyphenyl)-2-butanone (HPB), have been synthesized and applied as templates for MIP synthesis. The polymers were prepared using N-(2-aminoethyl) methacrylamide (EAMA) as functional monomer, ethylene glycol dimethacrylate (EDMA) as the cross-linker (in a 1:5 molar ratio), and a mixture of acetonitrile/dimethylsulfoxide (90 %, v/v) as porogen. MIPs prepared using a mixture of reduced BDMCs as template showed higher selectivity for CUR and BDMC than those obtained with HPB, with imprinting factors of 3.5 and 2.7 for CUR and BDMC, respectively, using H2O/acetonitrile (65:35, v/v) as mobile phase. The adsorption isotherms for CUR in the MIP and the nonimprinted polymer (NIP) were fitted to the Freundlich isotherm model, and the calculated average binding affinities for CUR were (17 ± 2) and (8 ± 1) mM-1 for the MIP and the NIP, respectively. The polymers were packed into solid-phase extraction (SPE) cartridges, and the optimized molecularly imprinted solid-phase extraction (MISPE-HPLC) with fluorescence detection (FLD) method allowed the extraction of both curcuminoids from aqueous samples (50 mM NH4Ac, pH 8.8) followed by a selective washing with acetonitrile/NH4Ac, 50 mM at pH 8.8 (30:70 %, v/v), and elution with 3 × 1 mL of MeOH. Good recoveries and precision ranging between 87 and 92 %, with relative standard deviation (RSD) of <5.3 % (n = 3), were obtained after the preconcentration of 10-mL solutions containing both CUR and BDMC at concentrations in the range of 0-500 μg L-1. The optimized method has been applied to the analysis of both curcuminoids in medicinal herbal extracts. © 2014 Springer-Verlag Berlin Heidelberg.

Saiz-Bretin M.,University ComplutenseMadrid | Munarriz J.,University ComplutenseMadrid | Malyshev A.V.,University ComplutenseMadrid | Malyshev A.V.,RAS Ioffe Physical - Technical Institute | And 2 more authors.
Physics Letters, Section A: General, Atomic and Solid State Physics | Year: 2015

Abstract We study electronic transport in systems comprising square graphene nanorings with a ferromagnetic insulator layer on top of them. The rings are connected symmetrically or asymmetrically to contacts. The proximity exchange interaction of electrons with magnetic ions results in spin-dependent transport properties. When a nanoring is connected asymmetrically, the occurrence of Fano-like antiresonances in the transmission coefficient can induce abrupt changes in the spin polarisation under minute variations of the Fermi energy. We also demonstrate that the spin polarisation can be efficiently controlled by a side-gate voltage. This opens a possibility to use these effects for fabricating tunable sources of polarised electrons. © 2015 Elsevier B.V.

Olmo F.,University of Granada | Gomez-Contreras F.,University ComplutenseMadrid | Navarro P.,Institute Quimica Medica | Marin C.,University of Granada | And 6 more authors.
European Journal of Medicinal Chemistry | Year: 2015

A series of new phthalazine derivatives (1-4) containing imidazole rings and functionalized with nitro groups in the benzene ring of the phthalazine moiety were prepared and identified on the basis of their MS, elemental analyses and bidimensional 1H and 13C NMR data, and their trypanocidal activity was tested. The 8-nitrosubstituted compound (3) was more active in vitro against Trypanosoma cruzi and less toxic against Vero cells than the reference drug benznidazole, and showed a SI value that was 47-fold better than the reference drug in amastigote forms. It also remarkably reduced the infectivity rate in Vero cells and decreased the reactivation of parasitemia in immunodeficient mice. Ultrastructural alterations found in epimastigotes treated with 3 confirmed extensive cytoplasm destruction in the parasites, whereas histopathological analysis of the hearts of mice infected and treated with 3 resulted in a decrease in cardiac damage. Biochemical markers showed that livers, hearts, and kidneys of treated mice were substantially unaffected by the administration of 3, despite the presence of the potentially toxic nitro group. It was also found that this compound selectively inhibited the antioxidant parasite enzyme Fe-superoxide dismutase (Fe-SOD) in comparison with human CuZn-SOD, and molecular modeling suggested interaction with the H-bonding system of the iron-based moiety as a feasible mechanism of action against the enzyme. © 2015 Elsevier Masson SAS.

Casarrubios L.,University ComplutenseMadrid | Esteruelas M.A.,University of Zaragoza | Larramona C.,University of Zaragoza | Muntaner J.G.,University ComplutenseMadrid | And 2 more authors.
Inorganic Chemistry | Year: 2015

A metal-promoted degradation of 2-azetidinones to afford CC′N-pincer ligands is reported. The hexahydride complex OsH6(PiPr3)2 (1) reacts with (±)-cis-1-(4-methoxyphenyl)-3-phenoxy-4-(pyridin-2-yl)azetidin-2-one (I), (±)-cis-1-(4-methoxyphenyl)-3-phenoxy-4-(isoquinolin-2-yl)azetidin-2-one (II), and (±)-cis-1-(4-methoxyphenyl)-3-phenoxy-4-(quinolin-2-yl)azetidin-2-one (III) to give the respective OsH2(PiPr3)2(CC′N) (2-4) complexes, which add HBF4·OEt2 to yield [OsH2(PiPr3)2(CCa'N)]BF4 (5-7). These salts are the result of the addition of the proton of the acid to the dianionic CC′N-pincer ligand. The hydride ligands of these compounds undergo quantum mechanical exchange coupling, which has been experimentally quantified according to a two-dimensional harmonic oscillator model, where Jex is determined by the separation between the hydrides, their hard sphere radius, and a ν parameter describing the H-M-H vibrational wag mode allowing the movement along the H-H vector. The comparison of the results reveals that the phenomenon is particularly intense for 5-7. Furthermore, in these compounds, the separation between the hydrides is ∼0.1 Å shorter than in the respective neutral species 2-4, whereas the hydride hard sphere radius increases by ∼10%, and the ν value decreases by ∼20%. © 2015 American Chemical Society.

Zamora-Carreras H.,Institute Quimica Fisica Rocasolano | Torres M.,University ComplutenseMadrid | Bustamante N.,Institute Quimica Fisica Rocasolano | Macedo A.L.,New University of Lisbon | And 3 more authors.
Archives of Biochemistry and Biophysics | Year: 2015

Abstract Ole e 9 and Fra e 9 are two allergenic β-1,3-glucanases from olive and ash tree pollens, respectively. Both proteins present a modular structure with a catalytic N-terminal domain and a carbohydrate-binding module (CBM) at the C-terminus. Despite their significant sequence resemblance, they differ in some functional properties, such as their catalytic activity and the carbohydrate-binding ability. Here, we have studied the different capability of the recombinant C-terminal domain of both allergens to bind laminarin by NMR titrations, binding assays and ultracentrifugation. We show that rCtD-Ole e 9 has a higher affinity for laminarin than rCtD-Fra e 9. The complexes have different exchange regimes on the NMR time scale in agreement with the different affinity for laminarin observed in the biochemical experiments. Utilising NMR chemical shift perturbation data, we show that only one side of the protein surface is affected by the interaction and that the binding site is located in the inter-helical region between α1 and α2, which is buttressed by aromatic side chains. The binding surface is larger in rCtD-Ole e 9 which may account for its higher affinity for laminarin relative to rCtD-Fra e 9. © 2015 Elsevier Inc.

Espart A.,University Of Barcelonabarcelona | Marin M.,Autonomous University of Barcelona | Gil-Moreno S.,Autonomous University of Barcelona | Palacios O.,Autonomous University of Barcelona | And 5 more authors.
International Journal of Biological Sciences | Year: 2015

The metal binding preference of metallothioneins (MTs) groups them in two extreme subsets, the Zn/Cd- and the Cu-thioneins. Ciliates harbor the largest MT gene/protein family reported so far, in-cluding 5 paralogs that exhibit relatively low sequence similarity, excepting MTT2 and MTT4. In Tet-rahymena thermophila, three MTs (MTT1, MTT3 and MTT5) were considered Cd-thioneins and two (MTT2 and MTT4) Cu-thioneins, according to gene expression inducibility and phylogenetic analysis. In this study, the metal-binding abilities of the five MTT proteins were characterized, to obtain information about the folding and stability of their cognate- and non-cognate metal complexes, and to characterize the T. thermophila MT system at protein level. Hence, the five MTTs were recombinantly synthesized as Zn2+-, Cd2+- or Cu+-complexes, which were analyzed by electrospray mass spectrometry (ESI-MS), circular dichroism (CD), and UV-vis spectrophotometry. Among the Cd-thioneins, MTT1 and MTT5 were optimal for Cd2+ coordination, yielding unique Cd17- and Cd8- complexes, respectively. When binding Zn2+, they rendered a mixture of Zn-species. Only MTT5 was capable to coordinate Cu+, although yielding heteronuclear Zn-, Cu-species or highly unstable Cu-homometallic species. MTT3 exhibited poor binding abilities both for Cd2+ and for Cu+, and although not optimally, it yielded the best result when coordinating Zn2+. The two Cu-thioneins, MTT2 and MTT4 isoforms formed homometallic Cu-complexes (major Cu20-MTT) upon synthesis in Cu-supplemented hosts. Contrarily, they were unable to fold into stable Cd-complexes, while Zn-MTT species were only recovered for MTT4 (major Zn10-MTT4). Thus, the metal binding preferences of the five T. thermophila MTs correlate well with their previous classification as Cd- and Cu-thioneins, and globally, they can be classified from Zn/Cd- to Cu-thioneins according to the gradation: MTT1>MTT5>MTT3>MTT4>MTT2. The main mechanisms underlying the evolution and specialization of the MTT metal binding preferences may have been in-ternal tandem duplications, presence of doublet and triplet Cys patterns in Zn/Cd-thioneins, and op-timization of site specific amino acid determinants (Lys for Zn/Cd- and Asn for Cu-coordination). © 2015 Ivyspring International Publisher.

Talbot A.,Brigham Young University | Devarajan D.,Brigham Young University | Gustafson S.J.,Brigham Young University | Fernandez I.,University ComplutenseMadrid | And 3 more authors.
Journal of Organic Chemistry | Year: 2015

Abstract Heteroaromatic azadienes, especially 1,2,4,5-tetrazines, are extremely reactive partners with alkenes in inverse-electron-demand Diels-Alder reactions. Azadiene cycloaddition reactions are used to construct heterocycles in synthesis and are popular as bioorthogonal reactions. The origin of fast azadiene cycloaddition reactivity is classically attributed to the inverse frontier molecular orbital (FMO) interaction between the azadiene LUMO and alkene HOMO. Here, we use a combination of ab initio, density functional theory, and activation-strain model calculations to analyze physical interactions in heteroaromatic azadiene-alkene cycloaddition transition states. We find that FMO interactions do not control reactivity because, while the inverse FMO interaction becomes more stabilizing, there is a decrease in the forward FMO interaction that is offsetting. Rather, fast cycloadditions are due to a decrease in closed-shell Pauli repulsion between cycloaddition partners. The kinetic-thermodynamic relationship found for these inverse-electron-demand cycloadditions is also due to the trend in closed-shell repulsion in the cycloadducts. Cycloaddition regioselectivity, however, is the result of differences in occupied-unoccupied orbital interactions due to orbital overlap. These results provide a new predictive model and correct physical basis for heteroaromatic azadiene reactivity and regioselectivity with alkene dieneophiles. © 2014 American Chemical Society.

Valentin A.,King's College | Valentin A.,University ComplutenseMadrid | Ughratdar I.,King's College | Cheserem B.,King's College | And 4 more authors.
Epilepsia | Year: 2015

Summary Epilepsia partialis continua (EPC), defined as a syndrome of continuous focal jerking, is a rare form of focal status epilepticus that usually affects a distal limb, and when prolonged, can produce long-lasting deficits in limb function. Substantial electrophysiologic evidence links the origin of EPC to the motor cortex; thus surgical resection carries the risk of significant handicap. We present two patients with focal, drug-resistant EPC, who were admitted for intracranial video-electroencephalography monitoring to elucidate the location of the epileptogenic focus and identification of eloquent motor cortex with functional mapping. In both cases, the focus resided at or near eloquent motor cortex and therefore precluded resective surgery. Chronic cortical stimulation delivered through subdural strips at the seizure focus (continuous stimulation at 60-130 Hz, 2-3 mA) resulted in >90% reduction in seizures and abolition of the EPC after a follow-up of 22 months in both patients. Following permanent implantation of cortical stimulators, no adverse effects were noted. EPC restarted when intensity was reduced or batteries depleted. Battery replacement restored previous improvement. This two-case report opens up avenues for the treatment of this debilitating condition. © Wiley Periodicals, Inc.

Baroni E.E.,National University of Santa | Rubio S.,University ComplutenseMadrid | De Lucas J.J.,University ComplutenseMadrid | San Andres M.D.,University ComplutenseMadrid | San Andres M.I.,University ComplutenseMadrid
American Journal of Veterinary Research | Year: 2014

Objective—To determine pharmacokinetics of marbofloxacin in water buffalo calves (Bubalus bubalis) after multiple SC administrations and to assess differences in regimen efficacy.Animal—18 healthy buffalo calves.Procedures—Calves (n = 6 calves/group) were assigned to receive marbofloxacin SC in the neck at 1 of 3 dosages (2 mg/kg, q 24 h for 6 days [regimen 1]; 4 mg/kg, q 48 h for 6 days [regimen 2]; and 4 mg/kg, q 24 h for 3 days [regimen 3]). Serum marbofloxacin concentrations were analyzed. Efficacy predictors were estimated on the basis of minimum inhibitory concentration and mutant prevention concentration reported for Pasteurella multocida and Mannheimia haemolytica.Results—Mean ± SD area under the concentration-time curve was 5.92 ± 0.40 μg•h/mL for regimen 1, which differed significantly from that for regimens 2 (14.26 ± 0.92 μg•h/mL) and 3 (14.17 ± 0.51 μg•h/mL). Mean residence time and mean elimination half-life for regimen 2 (9.93 ± 0.20 hours and 8.77 ± 0.71 hours) both differed significantly from those for regimens 1 (7.21 ± 0.11 hours and 5.71 ± 0.38 hours) and 3 (7.59 ± 0.13 hours and 7.37 ± 1.19 hours). Values obtained from indices for P multocida and M haemolytica had an excessively wide range because of the various degrees of antimicrobial susceptibility (low, medium, and high) of the strains.Conclusions and Clinical Relevance—Regimen 3 had the most favorable indices, and it would be conducive for owner compliance and require less handling of animals. © 2014, American Veterinary Medical Association. All rights reserved.

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