Search results for "Lead"
showing 10 items of 1360 documents
Topological Approach to Drug Design
1995
In this paper we demonstrated that by an adequate combination of different topological indices it is possible to select and design new active compounds in different therapeutical scopes, with a very high efficiency level. Particularly successful in the search of new "lead drugs", the results show the surprising ability of the topological methods to describe molecular structures.
Synthesis of and structural studies on lead(II) cysteamin complexes.
2004
The novel compounds PbCl(2).(SCH(2)CH(2)NH(3)) (1), Pb(SCH(2)CH(2)NH(2))(2).2PbCl(SCH(2)CH(2)NH(2)) (2), and Pb(SCH(2)CH(2)NH(2))(2) (3) were synthesized by reaction of PbO or PbCl(2) with [HSCH(2)CH(2)NH(3)]Cl and NaOH, and were characterized by elemental analysis, IR-, and UV/vis-spectroscopy. Single-crystal X-ray diffraction revealed different coordination modes for the two Pb atoms in 2. The Pb atom in the Pb(SCH(2)CH(2)NH(2))(2) unit forms two covalent Pb-S and two intramolecular dative Pb...N bonds, leading to a pseudo trigonal bipyramidal configuration with a stereochemically active lone pair. The Pb atom in the PbCl(SCH(2)CH(2)NH(2)) unit, the first moiety structurally characterized…
Identification of 2-(thiophen-2-yl)acetic Acid-Based Lead Compound for mPGES-1 Inhibition.
2021
We report the implementation of our in silico/synthesis pipeline by targeting the glutathione-dependent enzyme mPGES-1, a valuable macromolecular target in both cancer therapy and inflammation therapy. Specifically, by using a virtual fragment screening approach of aromatic bromides, straightforwardly modifiable by the Suzuki-Miyaura reaction, we identified 3-phenylpropanoic acid and 2-(thiophen-2-yl)acetic acid to be suitable chemical platforms to develop tighter mPGES-1 inhibitors. Among these, compounds 1c and 2c showed selective inhibitory activity against mPGES-1 in the low micromolar range in accordance with molecular modeling calculations. Moreover, 1c and 2c exhibited interesting IC…
Transformational Parenting Style, Autonomy Support, and their Implications for Adolescent Athletes’ Burnout
2019
espanolEl objetivo de esta investigacion fue examinar las relaciones entre el estilo parental transformacional, el apoyo a la autonomia mostrado por madres y padres y el burnout deportivo de 360 jugadores de futbol juvenil (324 hombres, rango de edad = 12-18 anos). Para ello, se siguieron cuatro pasos. Los pasos 1 y 2 pusieron a prueba las propiedades psicometricas (i.e., estructura factorial, consistencia interna y evidencia de validez discriminante) de la version en espanol del Cuestionario de Estilo Parental Transformacional [TPQ, segun sus siglas en ingles] y a traves de los pasos 3 y 4 se examinaron las relaciones propuestas. En general, la version espanola del TPQ espanol demostro una…
A multi-physics integrated approach to breeding blanket modelling and design
2019
Abstract Often, for the design of a component, several kinds of analyses are needed. Even more frequently, the different fields of study, to be taken into account for the design verification, have to be examined minutely until the final results are satisfying. Furthermore, when geometry modifications are required, for instance to fulfill the component functions, the analyses cycle has to be restarted and an iterative process has to be carried out. This procedure may be time-consuming and herald of errors, in particular if it is demanded to the human activity. Therefore, it is more convenient for the scientific community to adopt a numerical tool that can combine various computational codes.…
The plants of the future. : genome editing in biotechnology
2021
The evolution of life has led to the formation of complex systems where plants are essentials. Homo sapiens’ success is based on its ability to obtain food. In what remains of this century, the world population will increase by a quarter of the current total, reaching 10 billion people. This is itself a major challenge, amplified by the environmental conditions resulting from global change and the threat to sustainability derived from the use of the planet’s natural resources. Thus, we wonder if we will be able to respond to this challenge and, to that end, how the plants of the future should look. Recent advances in sequencing techniques allow us to identify genomes at a low cost, and geno…
Role of calcium carbonate in the process of heavy metal biosorption from solutions: synergy of metal removal mechanisms.
2022
AbstractThe effect of calcium carbonate on the removal efficiency of cations of the selected heavy metals Cu, Zn and Pb from aqueous solutions using various biosorbents (BS) was investigated under laboratory static conditions. The main mechanism of biosorption of heavy metal cations is ion exchange, whereas the reaction with calcium carbonate results in precipitation of poorly soluble carbonates and hydroxides of the examined heavy metals. Studies conducted under static conditions have shown that the effect of Cu and Zn cations removal from solutions is better when using a mixture of BS and CaCO3 as compared to the effect of process, in which these two components were used separately. Remov…
Giant lateral electrostriction in ferroelectric liquid-crystalline elastomers
2001
Mechanisms for converting electrical energy into mechanical energy are essential for the design of nanoscale transducers, sensors, actuators, motors, pumps, artificial muscles, and medical microrobots. Nanometre-scale actuation has to date been mainly achieved by using the (linear) piezoelectric effect in certain classes of crystals (for example, quartz), and 'smart' ceramics such as lead zirconate titanate. But the strains achievable in these materials are small--less than 0.1 per cent--so several alternative materials and approaches have been considered. These include grafted polyglutamates (which have a performance comparable to quartz), silicone elastomers (passive material--the constri…
Association between climate and new daily diagnoses of COVID-19
2020
AbstractBackgroundAlthough evidence is accumulating that climate conditions may positively or negatively influence the scale of coronavirus disease 2019 (COVID-19) outbreaks, uncertainty remains concerning the real impact of climate factors on viral transmission. Methods. The number of new daily cases of COVID-19 diagnosed in Verona (Italy) was retrieved from the official website of Veneto Region, while information on daily weather parameters in the same area was downloaded from IlMeteo website, a renowned Italian technological company specialized in weather forecasts. The search period ranged between March 1 to November 11, 2020. The number of new daily COVID-19 cases and meteorological da…
Burnout prevalence in pediatricians of general hospitals
2008
OBJETIVO: Analizar la prevalencia del síndrome de quemarse por el trabajo (burnout) en pediatras de hospitales generales siguiendo criterios de diferentes países. MÉTODOS: Estudio transversal, no aleatorio, realizado en Buenos Aires, Argentina, en 2006. La muestra la formaron 123 pediatras que trabajaban en Servicios de Pediatría de hospitales generales, 89 fueron mujeres (72,4%) y 34 hombres (27,6%). Los datos fueron recogidos mediante un cuestionario anónimo y autoadministrado. El SQT fue diagnosticado utilizando el Maslach Burnout Inventory, con diferentes criterios para establecer su prevalencia. RESULTADOS: La prevalencia del SQT, varió en función del criterio utilizado: siguiendo los …