Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 54
Filtrar
Más filtros

Banco de datos
Tipo del documento
Intervalo de año de publicación
1.
Magn Reson Chem ; 59(4): 423-438, 2021 04.
Artículo en Inglés | MEDLINE | ID: mdl-33464666

RESUMEN

The 1 H, 13 C, 15 N, and 19 F nuclear magnetic resonance (NMR) spectra of 11 2,5-diaryl-2,4-dihydro-3H-1,2,4-triazol-3-ones have been acquired in DMSO-d6 solution and the 13 C, 15 N, and 19 F NMR spectra have also been acquired in the solid state (solid-state nuclear magnetic resonance [SSNMR] and magic angle spinning [MAS]). The X-ray structures of Compounds 3, 5, and 6 have been determined by X-ray diffraction. Theoretical calculations at the gauge-independent atomic orbital (GIAO)/B3LYP/6-311++G(d,p) level have provided a set of 321 chemical shifts that were compared with 310 experimental values in DMSO-d6 . To obtain good agreements, some effects need to be included. The SSNMR chemical shifts have been compared with gauge-including projector-augmented wave (GIPAW) calculations and with the heavy atom-light atom (HALA) effects.

2.
J Biol Inorg Chem ; 25(4): 671-683, 2020 06.
Artículo en Inglés | MEDLINE | ID: mdl-32367388

RESUMEN

The catechol oxidase activity of three copper/bicompartmental salen derivatives has been studied. One mononuclear, [CuL] (1), one homometallic, [Cu2L(NO3)2] (2), and one heterometallic, [CuMnL(NO3)2] (3) complexes were obtained using the ligand H2L = N,N'-bis(3-methoxysalicylidene)-1,3-propanediamine through different synthetic methods (electrochemical, chemical and solid state reaction). The structural data indicate that the metal ion disposition models the active site of type-3 copper enzymes, such as catechol oxidase. In this way, their ability to act as functional models of the enzyme has been spectrophotometrically determined by monitorization of the oxidation of 3,5-di-tert-butylcatechol (3,5-DTBC) to 3,5-di-tert-butyl-o-benzoquinone (3,5-DTBQ). All the complexes show significant catalytic activity with ratio constants (kobs) lying in the range (223-294) × 10-4 min-1. A thorough kinetic study was carried out for complexes 2 and 3, since they show structural similarities with the catechol oxidase enzyme. The greatest catalytic activity was found for the homonuclear dicopper compound (2) with a turnover value (kcat) of (3.89 ± 0.05) × 106 h-1, which it is the higher reported to date, comparable to the enzyme itself (8.25 × 106 h-1).


Asunto(s)
Catecol Oxidasa/metabolismo , Complejos de Coordinación/metabolismo , Cobre/metabolismo , Biocatálisis , Catecol Oxidasa/química , Complejos de Coordinación/síntesis química , Complejos de Coordinación/química , Cobre/química , Cristalografía por Rayos X , Modelos Moleculares , Conformación Molecular
4.
Molecules ; 20(6): 9862-78, 2015 May 27.
Artículo en Inglés | MEDLINE | ID: mdl-26023943

RESUMEN

The association constants of the complexes formed by two hosts containing pyrrole, amide and azine (pyridine and 1,8-naphthyridine) groups and six guests, all monoanions (Cl-, CH3CO2-, NO3-, H2PO4-, BF4-, PF6-), have been determined using NMR titrations. The X-ray crystal structure of the host N2,N5-bis(6-methylpyridin-2-yl)-3,4-diphenyl-1H-pyrrole- 2,5-dicarboxamide (1) has been solved (P21/c monoclinic space group). B3LYP/6-31G(d,p) and calculations were carried out in an attempt to rationalize the trends observed in the experimental association constants.


Asunto(s)
Amidas/química , Aniones/análisis , Naftiridinas/química , Piridinas/química , Pirroles/química , Amidas/síntesis química , Cristalografía por Rayos X , Cinética , Espectroscopía de Resonancia Magnética , Modelos Moleculares , Estructura Molecular , Naftiridinas/síntesis química , Piridinas/síntesis química , Pirroles/síntesis química , Teoría Cuántica , Termodinámica
5.
Infection ; 41(2): 571-4, 2013 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-22915347

RESUMEN

The genus Abiotrophia comprises fastidious Gram-positive bacteria previously classified as nutritionally variant streptococci (NVS). The isolation of NVS from the central nervous system (CNS) is very rare. We describe a case of meningitis due to Abiotrophia defectiva in a patient who underwent a total hip arthroplasty 4 days previously. It is possible that the organism could be introduced through the spinal anesthesia. We also review all cases of CNS infections caused by NVS.


Asunto(s)
Abiotrophia/aislamiento & purificación , Infecciones por Bacterias Grampositivas/diagnóstico , Meningitis Bacterianas/diagnóstico , Abiotrophia/efectos de los fármacos , Ampicilina/uso terapéutico , Anestesia , Antibacterianos/uso terapéutico , Artroplastia de Reemplazo de Cadera , Infecciones por Bacterias Grampositivas/tratamiento farmacológico , Infecciones por Bacterias Grampositivas/microbiología , Humanos , Masculino , Meningitis Bacterianas/microbiología , Pruebas de Sensibilidad Microbiana , Persona de Mediana Edad , Penicilinas/uso terapéutico , Vancomicina/uso terapéutico
6.
J Nanosci Nanotechnol ; 13(1): 461-6, 2013 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-23646755

RESUMEN

Nanoparticles of NiO, Ni or NiS have been obtained by solvothermal decomposition of different molecular precursors. The influence of several parameters, such as temperature, reaction time, solvent or capping agent used, in the nature and size of the obtained nanoparticle has been studied. The characterization by XRD and TEM techniques indicates that the nanoparticles of NiO exhibit average sizes of 3-8 nm, while those of Ni are in the 30-40 nm range. This difference in size has been attributed to the presence of molecules of the capping agent (n-octylamine or oleic acid) that surround the NiO nanoparticles but were not present in the nickel ones. The capping agent is, thus, preventing the aggregation of the smallest nanoparticles. The use of either a S-donor capping agent (4-mercaptopyridine) or a precursor having S-donor ligands (diethyldithiocarbamate) have led to the formation of NiS with average sizes around 35 nm. The magnetic properties of the nanoparticles have been studied, showing superparamagnetism and magnetic hysteresis below the blocking temperature, which, in time, is dependent of the particle size.


Asunto(s)
Cristalización/métodos , Nanopartículas del Metal/química , Níquel/química , Compuestos de Silicona/química , Calor , Sustancias Macromoleculares/química , Ensayo de Materiales , Conformación Molecular , Tamaño de la Partícula , Solventes/química , Propiedades de Superficie
7.
Magn Reson Chem ; 51(4): 203-21, 2013 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-23390060

RESUMEN

The structures of three azines derived from 2-formylimidazole, 4(5)-formylimidazole, and 4(5)-formyl-5(4)-methylimidazole have been determined in solution and in the solid state. Density Functional Theory (DFT) Polarizable Continuum Model (PCM) calculations (geometries, energies, and chemical shifts), NMR [solution and cross polarization magic-angle spinning (CPMAS)], and X-ray crystallography [azine of 4(5)-formylimidazole] have been used. The configuration around the central C = N bonds has been determined and some insights about prototropic tautomerism and conformation have been gained.


Asunto(s)
Hidrazinas/química , Imidazoles/química , Hidrazinas/síntesis química , Espectroscopía de Resonancia Magnética/normas , Estructura Molecular , Teoría Cuántica , Estándares de Referencia , Soluciones
8.
Beilstein J Org Chem ; 9: 2156-67, 2013.
Artículo en Inglés | MEDLINE | ID: mdl-24204428

RESUMEN

Two novel tetrafluorinated 1,5-benzodiazepinones were synthesized and their X-ray structures determined. 6,7,8,9-Tetrafluoro-4-methyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one crystallizes in the monoclinic P21/c space group and 6,7,8,9-tetrafluoro-1,4-dimethyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one in the triclinic P-1 space group. Density functional theory studies at the B3LYP/6-311++G(d,p) level were carried out on these compounds and on four non-fluorinated derivatives, allowing to calculate geometries, tautomeric energies and ring-inversion barriers, that were compared with the experimental results obtained by static and dynamic NMR in solution and in solid state.

9.
Inorg Chem ; 51(3): 1760-8, 2012 Feb 06.
Artículo en Inglés | MEDLINE | ID: mdl-22257029

RESUMEN

The hydridoirida-ß-diketone [IrHCl{(PPh(2)(o-C(6)H(4)CO))(2)H}] (1) reacts with benzylamine (C(6)H(5)CH(2)NH(2)) to give the hydridoirida-ß-ketoimine [IrHCl{(PPh(2)(o-C(6)H(4)CO))(PPh(2)(o-C(6)H(4)CNCH(2)C(6)H(5)))H}] (2), stabilized by an intramolecular hydrogen bond. 2 reacts with water to undergo hydrolysis and amine coordination giving hydridodiacylamino [IrH(PPh(2)(o-C(6)H(4)CO))(2)(C(6)H(5)CH(2)NH(2))] (3). Cyclohexylamine or dimethylamine lead to hydridodiacylamino [IrH(PPh(2)(o-C(6)H(4)CO))(2)L] (4-5). In chlorinated solvents hydridodiacylamino complexes undergo exchange of hydride by chloride to afford [IrCl(PPh(2)(o-C(6)H(4)CO))(2)L] (6-9). The reaction of 1 with hydrazine (H(2)NNH(2)) gives hydridoirida-ß-ketoimine [IrHCl{(PPh(2)(o-C(6)H(4)CO))(PPh(2)(o-C(6)H(4)CNNH(2)))H}] (10), fluxional in solution with values for ΔH(‡) of 2.5 ± 0.3 kcal mol(-1) and for ΔS(‡) of -32.9 ± 3 eu. A hydrolysis/imination sequence can be responsible for fluxionality. 2-Aminopyridines (RHNC(5)H(3)R'N) react with 1 to afford cis-[IrCl(PPh(2)(o-C(6)H(4)CO))(PPh(2)(o-C(6)H(4)CHNRC(5)H(3)R'N))] (R = R' = H (11), R = CH(3), R' = H (12), R = H, R' = CH(3) (13)) containing new terdentate PCN ligands in a facial disposition and cis phosphorus atoms as kinetic products. The formation of 11-13 requires imination of the hydroxycarbene moiety of 1, coordination of the nitrogen atom of pyridine to iridium, and iridium to carbon hydrogen transfer. In refluxing methanol, complexes 11-13 isomerize to afford the thermodynamic products 14-16 with trans phosphorus atoms. Chloride abstraction from complexes [IrCl(PPh(2)(o-C(6)H(4)CO))(PPh(2)(o-C(6)H(4)CHNRC(5)H(4)N))] (R = H or CH(3)) leads to decarbonylation of the acylphosphine chelating group to afford cationic complexes [Ir(CO)(PPh(2)(o-C(6)H(4)))(PPh(2)(o-C(6)H(4)CHNRC(5)H(4)N))]A, 17 (R = H, A = ClO(4)) and 18 (R = CH(3), A = BF(4)) as a cis/trans = 4:1 mixture of isomers. Single crystal X-ray diffraction analysis was performed on 6, 9, 13, and 14.

10.
Sustain Sci ; 17(5): 2013-2029, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-35340343

RESUMEN

Forests are key components of European multifunctional landscapes and supply numerous forest ecosystem services (FES) fundamental to human well-being. The sustainable provision of FES has the potential to provide responses to major societal challenges, such as climate change, biodiversity loss, or rural development. To identify suitable strategies for the future sustenance of FES, we performed a solution scanning exercise with a group of transdisciplinary forest and FES experts from different European regions. We identified and prioritized fifteen major challenges hindering the balanced provision of multiple FES and identified a series of potential solutions to tackle each of them. The most prominent challenges referred to the increased frequency and impacts of extreme weather events and the normative mindset regarding forest management. The respective solutions pointed to the promotion of forest resilience via climate-smart forestry and mainstreaming FES-oriented management through a threefold strategy focusing on education, awareness raising, and networking. In a subsequent survey, most solutions were assessed as highly effective, transferable, monitorable, and with potential for being economically efficient. The implementation of the solutions could have synergistic effects when applying the notion of leverage points. Seven emerging pathways towards the sustainable supply of FES have been identified. These pathways build on each other and are organized based on their potential for transformation: (1) shifting forest management paradigms towards pluralistic ecosystem valuation; (2) using integrated landscape approaches; (3) increasing forest resilience; (4) coordinating actions between forest-related actors; (5) increasing participation in forest planning and management; (6) continuous, open, and transparent knowledge integration; and (7) using incentive-based instruments to support regulating and cultural FES. These pathways can contribute to the implementation of the new EU Forestry Strategy to support the balanced supply of multiple FES. Supplementary Information: The online version contains supplementary material available at 10.1007/s11625-022-01111-4.

11.
Trials ; 22(1): 851, 2021 Nov 27.
Artículo en Inglés | MEDLINE | ID: mdl-34838115

RESUMEN

BACKGROUND: The incidence of non-AIDS defining cancer (NADC) is higher in people living with HIV (PLWH) than in the general population, and it is already one of the leading causes of death in the HIV-infected population. It is estimated that the situation will be aggravated by the progressive aging of PLWH. Early diagnosis through intensive cancer screening may improve the ability for therapeutic interventions and could be critical in reducing mortality, but it might also increase expenditure and harms associated with adverse events. The aim of this study is to evaluate an enhanced screening program for early diagnosis of cancer in PLWH compared to standard practice. The specific objectives are (1) to compare the frequency of cancer diagnosed at an early stage, (2) to analyze safety of the enhanced program: adverse events and unnecessary interventions, (3) to analyze the cost-utility of the program, and (4) to estimate the overall and site-specific incidence of NADC in PLWH. METHODS: We will conduct a multicenter, non-blinded, randomized, controlled trial, comparing two parallel arms: conventional vs enhanced screening. Data will be recorded in an electronic data collection notebook. Conventional intervention group will follow the standard of care screening in the participating centers, according to the European AIDS Clinical Society recommendations, and the enhanced intervention group will follow an expanded screening aimed to early detection of lung, liver, anal, cervical, breast, prostate, colorectal, and skin cancer. The trial will be conducted within the framework of the Spanish AIDS Research Network Cohort (CoRIS). DISCUSSION: The trial will evaluate the efficacy, safety, and efficiency of an enhanced screening program for the early diagnosis of cancer in HIV patients compared to standard of care practice. The information provided will be relevant since there are currently no studies on expanded cancer screening strategies in patients with HIV, and available data estimating cost effectiveness or cost-utility of such as programs are scarce. An enhanced program for NADC screening in patients with HIV could lead to early diagnosis and improve the prognosis of these patients, with an acceptable rate of unnecessary interventions, but it is critical to demonstrate that the benefits clearly outweigh the harms, before the strategy could be implemented. TRIAL REGISTRATION: ClinicalTrials.gov NCT04735445. Registered on 25 June 2019.


Asunto(s)
Síndrome de Inmunodeficiencia Adquirida , Infecciones por VIH , Neoplasias , Detección Precoz del Cáncer , Infecciones por VIH/complicaciones , Infecciones por VIH/diagnóstico , Infecciones por VIH/epidemiología , Humanos , Masculino , Tamizaje Masivo , Neoplasias/diagnóstico , Neoplasias/epidemiología
12.
ACS Omega ; 5(39): 25408-25422, 2020 Oct 06.
Artículo en Inglés | MEDLINE | ID: mdl-33043221

RESUMEN

Nine 3,5-dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-ones (17-25), some of which contain fluoro-substituents, have been regiospecifically prepared by reaction of 2,3-diaminopyridines with ethyl aroylacetates. In two cases, open intermediates have been isolated and these are related to the reaction pathway. The X-ray crystal structure of 1-methyl-4-phenyl-3,5-dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-one (23) has been solved (formula, C15H13N3O; crystal system, monoclinic; space group, C2/c). This is an asymmetric unit constituted by a single nonplanar molecule and its conformational enantiomer due to the presence of the seven-membered diazepin-2-one moiety, which introduces a certain degree of torsion in the adjacent pyridine ring. The 1H, 13C, 15N, and 19F NMR spectra were obtained and the chemical shifts, together with those of the previously published 1,3-dihydro-2H-benzo[b][1,4]diazepin-2-ones (1-16), i.e., a total of 544 values, were successfully compared with the chemical shifts calculated at the gauge invariant atomic orbital (GIAO)/Becke, three-parameter, Lee-Yang-Parr (B3LYP)/6-311++G(d,p) level. The seven-membered ring inversion barrier in 5-benzyl-2-phenyl-3,5-dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-one (25) was determined and, in conjunction with the data from the literature, compared with the B3LYP/6-311++G(d,p) computed values. This allowed the determination of several structural effects. The rotation about the exocyclic N1-CR bond was also calculated and its dynamic properties were discussed.

13.
Rev Esp Quimioter ; 33(5): 327-349, 2020 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-32896115

RESUMEN

Infection in the elderly is a huge issue whose treatment usually has partial and specific approaches. It is, moreover, one of the areas where intervention can have the most success in improving the quality of life of older patients. In an attempt to give the widest possible focus to this issue, the Health Sciences Foundation has convened experts from different areas to produce this position paper on Infection in the Elderly, so as to compare the opinions of expert doctors and nurses, pharmacists, journalists, representatives of elderly associations and concluding with the ethical aspects raised by the issue. The format is that of discussion of a series of pre-formulated questions that were discussed by all those present. We begin by discussing the concept of the elderly, the reasons for their predisposition to infection, the most frequent infections and their causes, and the workload and economic burden they place on society. We also considered whether we had the data to estimate the proportion of these infections that could be reduced by specific programmes, including vaccination programmes. In this context, the limited presence of this issue in the media, the position of scientific societies and patient associations on the issue and the ethical aspects raised by all this were discussed.


Asunto(s)
Calidad de Vida , Vacunación , Anciano , Humanos , España/epidemiología
14.
Foot (Edinb) ; 40: 27-33, 2019 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-31055210

RESUMEN

PURPOSE: Surgical treatment of moderate hallux valgus (HV) onwards by Chevron osteotomy and all variants described to date including the recent extended distal Chevron osteotomy (EDCO), yields improvable outcome but with recurrence rate. A new modification of this technique is needed to achieve better results. METHODS: 34 consecutive female patients suffering from moderate HV underwent a new minimally extended distal Chevron osteotomy (MEDCO) with percutaneous soft tissue release (PSTR). Outcome was assessed using pre-post operative VAS-Pain, AOFAS Hallux Score and radiological measurements. Mean age was 53.7 years, follow-up 2.7 years and satisfaction score 8. RESULTS: VAS improved from 7 to 1 (p < 0.001) and AOFAS score from 64 to 90.7 (p < 0.001). Comparing postoperative HV and intermetatarsal (IM) angles of previous studies (either employing a Chevron osteotomy alone or a double Chevron-Akin) with our results, an improvement from 15.6/14.8 to 9.1 and 8.2 /8.8 to 5.6 respectively (p < 0.05) was achieved. Complication and recurrence rates were both 5.8%, lower than the documented rates of other techniques. CONCLUSION: The modified technique in the present study was found to be a more effective and reliable method of correcting hallux valgus when compared to other previous procedures. It provides a higher level of satisfaction and excellent outcomes with low complication and recurrence rates. Furthermore, the percutaneous lateral incision improved the cosmetic results by avoiding formation of a dorsal first web space scar. Medial incision is also shorter than the one used for EDCO. LEVEL OF EVIDENCE: Level IV, case series.


Asunto(s)
Hallux Valgus/cirugía , Osteotomía/métodos , Femenino , Hallux Valgus/diagnóstico por imagen , Humanos , Persona de Mediana Edad , Dimensión del Dolor , Satisfacción del Paciente , Complicaciones Posoperatorias/prevención & control , Recurrencia , Índice de Severidad de la Enfermedad
15.
Phys Rev E Stat Nonlin Soft Matter Phys ; 77(3 Pt 2): 036207, 2008 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-18517485

RESUMEN

We report on an experimental study of long normal Saffman-Taylor fingers subject to periodic forcing. The sides of the finger develop a low amplitude, long wavelength instability. We discuss the finger response in stationary and nonstationary situations, as well as the dynamics towards the stationary states. The response frequency of the instability increases with forcing frequency at low forcing frequencies, while, remarkably, it becomes independent of forcing frequency at large forcing frequencies. This implies a process of wavelength selection. These observations are in good agreement with previous numerical results reported in [Ledesma-Aguilar, Phys. Rev. E 71, 016312 (2005)]. We also study the average value of the finger width, and its fluctuations, as a function of forcing frequency. The average finger width is always smaller than the width of the steady-state finger. Fluctuations have a nonmonotonic behavior with a maximum at a particular frequency.

16.
Rev Esp Enferm Dig ; 100(2): 76-81, 2008 Feb.
Artículo en Español | MEDLINE | ID: mdl-18366264

RESUMEN

INTRODUCTION: proton pump inhibitors (PPIs) block the H+/K+ ATPase enzyme in gastric wall cells, leading to an inhibition of both baseline and stimulated acid secretion. Appropriate indications include: Gastroesophageal reflux, acute upper gastrointestinal bleeding, erosive gastritis or esophagitis, dyspepsia, NSAID-related gastropathy, and stress ulcer prophylaxis in high risk patients. The aims of this study were to review the current indications of PPIs, and to evaluate their use in Guadalajara s University Hospital. MATERIAL AND METHODS: a transversal, analytic, randomized study was carried out during 2003 in our internal medicine department. A total of 208 medical records for 832 patients receiving PPIs were reviewed (25%). Mean age was 67 years (range: 16-92), 46.2% were females, and most frequent conditions were HBP, COPD, and DM. RESULTS: 34.6% of patients took PPIs before admission, their use being inappropriate in 68.1% of them. Among hospitalized patients 73.03% used PPIs inappropriately, and most of them had no such indication at discharge. CONCLUSIONS: results are in accordance with the literature, with a high frequency of incorrect PPI use; a more accurate use of PPIs is to be recommended to avoid side effects and drug interactions, and to provide a more efficient medical care.


Asunto(s)
Inhibidores de la Bomba de Protones/uso terapéutico , Adolescente , Adulto , Anciano , Anciano de 80 o más Años , Estudios Transversales , Utilización de Medicamentos/normas , Utilización de Medicamentos/estadística & datos numéricos , Femenino , Hospitalización , Humanos , Medicina Interna , Masculino , Persona de Mediana Edad , Alta del Paciente
17.
Acta Crystallogr C Struct Chem ; 74(Pt 4): 513-522, 2018 04 01.
Artículo en Inglés | MEDLINE | ID: mdl-29620036

RESUMEN

J147 [N-(2,4-dimethylphenyl)-2,2,2-trifluoro-N'-(3-methoxybenzylidene)acetohydrazide] has recently been reported as a promising new drug for the treatment of Alzheimer's disease. The X-ray structures of seven new 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles, namely 1-(3,4-dimethylphenyl)-4-phenyl-5-trifluoromethyl-1H-1,2,3-triazole (C17H14F3N3, 1), 1-(3,4-dimethylphenyl)-4-(3-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole (C18H16F3N3O, 2), 1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole (C18H16F3N3O, 3), 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole (C18H16F3N3O, 4), 1-[2,4-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole (C18H10F9N3O, 5), 1-(3,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole (C19H18F3N3O4, 6) and 3-[4-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenol (C17H14F3N3O3, 7), have been determined and compared to that of J147. B3LYP/6-311++G(d,p) calculations have been performed to determine the potential surface and molecular electrostatic potential (MEP) of J147, and to examine the correlation between hydrazone J147 and the 1,2,3-triazoles, both bearing a CF3 substituent. Using MEPs, it was found that the minimum-energy conformation of 4, which is nearly identical to its X-ray structure, is closely related to one of the J147 seven minima.


Asunto(s)
Enfermedad de Alzheimer/tratamiento farmacológico , Triazoles/química , Cristalografía por Rayos X , Humanos , Enlace de Hidrógeno , Conformación Molecular
18.
Rev Clin Esp (Barc) ; 218(1): 17-21, 2018.
Artículo en Inglés, Español | MEDLINE | ID: mdl-28732796

RESUMEN

Mucopolysaccharidosis are multisystem diseases that require large multidisciplinary teams for their care. Specific recommendations are therefore needed for the transition from childhood to adulthood in this patient group. To overcome the barriers that might arise during the transition, the authors consider it essential to implement a flexible plan with a coordinator for the entire process, systematising the information through a standardised paediatric discharge report and educating the patient and their family about the disease, showing the characteristics of the healthcare system in this new stage. The final objective is that, once the transition to adulthood has been completed, the patient's autonomy and potential development are maximised and that the patient receives appropriate healthcare during this transition.

19.
Neurobiol Pain ; 3: 15-21, 2018.
Artículo en Inglés | MEDLINE | ID: mdl-31194055

RESUMEN

The mechanism of analgesic action of paracetamol (acetominophen) remains still unknown. However, a relationship between serotonergic system and the effect of paracetamol has been previously demonstrated. The serotonin activity in the brainstem is primarily under the control of 5-HT1A somatodendritic receptors, although some data also suggest the involvement of 5-HT1B receptors. To determine whether the 5-HT1A and 5-HT1B receptors are involved in the antinociceptive effect of paracetamol, we evaluated the effect of paracetamol (0.125-1 g/kg i.p.) followed by different antagonists [WAY 100,635 (0.8 mg/kg s.c.) and SB 216,641 (0.8 mg/kg s.c.)] or agonists [8-OH-DPAT (0.125 mg/kg s.c.) and CP 93,129 (0.125 mg/kg s.c.)] of 5-HT1A and 5-HT1B receptors, respectively, in the rat model of formalin-induced pain. We demonstrated that paracetamol administration showed a dose-dependent antinociceptive effect in the formalin test. WAY 100,635 (5-HT1A antagonist) induced an increase in the antinociceptive effect of paracetamol at 250 mg/kg doses. Conversely, 8-OH-DPAT (5-HT1A agonist) decreased the antinociceptive effect of paracetamol at 500-1000 mg/kg doses. However, SB216641 (5-HT1B antagonist) modified weakly the antinociceptive effect of paracetamol at 250 mg/kg doses and CP 93,129 (5-HT1B agonist) not produce a clear effect in the antinociceptive effect of paracetamol. These results suggest that the antinociceptive effect of paracetamol can be enhanced mainly by compounds having 5-HT1A antagonist properties in the formalin test and maybe by 5-HT1B receptors antagonists.

20.
Eur J Pain ; 22(1): 127-141, 2018 01.
Artículo en Inglés | MEDLINE | ID: mdl-28877402

RESUMEN

BACKGROUND: Histamine H3 receptors are mainly expressed on CNS neurons, particularly along the nociceptive pathways. The potential involvement of these receptors in pain processing has been suggested using H3 receptor inverse agonists. METHODS: The antinociceptive effect of S 38093, a novel inverse agonist of H3 receptors, has been evaluated in several neuropathic pain models in rat and compared with those of gabapentin and pregabalin. RESULTS: While S 38093 did not change vocalization thresholds to paw pressure in healthy rats, it exhibited a significant antihyperalgesic effect in the Streptozocin-induced diabetic (STZ) neuropathy model after acute and chronic administration and, in the chronic constriction injury (CCI) model only after chronic administration, submitted to the paw-pressure test. Acute S 38093 administration at all doses tested displayed a significant cold antiallodynic effect in a model of acute or repeated administration of oxaliplatin-induced neuropathy submitted to cold tail immersion, cold allodynia being the main side effect of oxaliplatin in patients. The effect of S 38093 increased following chronic administration (i.e. twice a day during 5 days) in the CCI and STZ models except in the oxaliplatin models where its effect was already maximal from the first administration The kinetics and size of effect of S 38093 were similar to gabapentin and/or pregabalin. Finally, the antinociceptive effect of S 38093 could be partially mediated by α2 adrenoreceptors desensitization in the locus coeruleus. CONCLUSIONS: These results highlight the interest of S 38093 to relieve neuropathic pain and warrant clinical trials especially in chemotherapeutic agent-induced neuropathic pain. SIGNIFICANCE: S 38093, a new H3 antagonist/inverse agonist, displays antiallodynic and antihyperalgesic effect in neuropathic pain, especially in oxaliplatin-induced neuropathy after chronic administration. This effect of S 38093 in neuropathic pain could be partly mediated by α2 receptors desensitization in the locus coeruleus.


Asunto(s)
Analgésicos/uso terapéutico , Antagonistas de los Receptores Histamínicos/uso terapéutico , Hiperalgesia/tratamiento farmacológico , Neuralgia/tratamiento farmacológico , Aminas/farmacología , Aminas/uso terapéutico , Analgésicos/farmacocinética , Animales , Ácidos Ciclohexanocarboxílicos/farmacología , Ácidos Ciclohexanocarboxílicos/uso terapéutico , Modelos Animales de Enfermedad , Gabapentina , Antagonistas de los Receptores Histamínicos/farmacología , Hiperalgesia/inducido químicamente , Masculino , Neuralgia/inducido químicamente , Compuestos Organoplatinos , Oxaliplatino , Umbral del Dolor/efectos de los fármacos , Pregabalina/farmacología , Pregabalina/uso terapéutico , Ratas , Ratas Sprague-Dawley , Ácido gamma-Aminobutírico/farmacología , Ácido gamma-Aminobutírico/uso terapéutico
SELECCIÓN DE REFERENCIAS
DETALLE DE LA BÚSQUEDA