Theoretical Description of the Role of Halides, Silver, and Surfactants on the Structure of Gold Nanorods

Density functional theory simulations including dispersion provide an atomistic description of the role of different compounds in the synthesis of gold-nanorods. Anisotropy is caused by the formation of a complex between the surfactant, bromine, and silver that preferentially adsorbs on some facets of the seeds, blocking them from further growth. In turn, the nanorod structure is driven by the perferential adsorption of the surfactant, which induces the appearance of open {520} lateral facets

A computational investigation of the interaction of the collagen molecule with hydroxyapatite

This thesis presents the results of computer simulation studies of the interaction of the predominant molecules in the collagen protein with the hydroxyapatite mineral. Using a combination of computational techniques, quantum-mechanical methods based on the density functional theory (DFT) and molecular dynamics simulations based on interatomic potentials, we have investigated the interface between the collagen protein and the apatite mineral. First we have employed electronic structure techniques (DFT) to study a range of different binding modes of the amino acids glycine, proline and hydroxyproline, which are major constituents of the collagen I protein, at two important hydroxyapatite surfaces, (0001) and (0110) . We have performed full geometry optimizations of the hydroxyapatite surface with adsorbed amino acid molecules to obtain the optimum substrate/adsorbate structures and interaction energies. We have also used DFT to investigate the binding of a series of representative peptides containing hydrophobic side groups (proline), uncharged polar side groups (glycine and hydroxyproline), and charged polar side groups (lysine and hydroxylysine) to the hydroxyapatite (0001) and (0110) surfaces. This selection of adsorbates has given us the opportunity to study separately the interactions of the carboxylic acid and amine functional groups, as well as the effect of hydroxylation and the charges of the side group, on the strength of interaction with the surfaces. We have also investigated the same systems in an aqueous environment using classical molecular dynamics simulation, where we have calculated the energies and geometries of adsorption of the peptide at the surfaces of hydroxyapatite in competition with pre-adsorbed water. Finally, we have studied the onset of nucleation of the hydroxyapatite mineral at an entire collagen molecule in aqueous solution

Introduction: emotions and mobilities: gendered, temporal and spatial representations

Emotions are increasingly recognised as a fundamental dimension of human mobility. Indeed, there has been sustained and increasing scholarly interest in the intersection between migration and emotion over the last two decades.Theoretical and empirical contributions in this area have advanced our understanding of migration experiences in their diversity. Furthermore, viewing migrants’ lived experiences through an emotions lens can reveal a variety of hidden inequalities, unsettle hegemonic discourses and reveal practices of resistance.Perceptions of social categories such as ethnicity, gender, sexuality and age are shaped by emotions and it is therefore valuable to ‘investigate how certain emotions “stick” to certain bodies or flow and traverse space’

Influence of Anthropometric Variables on Three Different Maximal Oxygen Consumption Units: NHANES 2003-2004

Please see the pdf version of the abstract

A residual based a posteriori error estimator for an augmented mixed finite element method in linear elasticity

In this paper we develop a residual based a posteriori error analysis for an augmented mixed finite element method applied to the problem of linear elasticity in the plane. More precisely, we derive a reliable and efficient a posteriori error estimator for the case of pure Dirichlet boundary conditions. In addition, several numerical experiments confirming the theoretical properties of the estimator, and illustrating the capability of the corresponding adaptive algorithm to localize the singularities and the large stress regions of the solution, are also reporte

Conflicts and solutions related to marine turtle conservation initiatives in the Caribbean basin: identifying new challenges

Conflicts among and between local, national, regional and international stakeholders involved in marine turtle conservation are increasing. Often, they arise because of different socio-economic backgrounds of the people or groups involved. Here, we identified and assessed the conservation-based conflicts occurring in 24 of the 39 Caribbean countries, including their frequency, level of severity, number of stakeholders' groups involved, the degree to which they hinder conservation goals, and potential solutions. Using a cross-sectional social survey, we evaluated the presence and details of conservation conflicts provided by 72 respondents. The respondents included conservation-based project leaders, researchers, people involved in policy-based decision-making, conservation volunteers (community-based conservation groups), and species experts with experience working on marine turtle conservation programs in the Caribbean. The respondents identified 136 conflicts, and we grouped them into 16 different categories. The most commonly mentioned causes of conflicts were: 1) the ‘lack of enforcement by local authorities to support conservation-based legislation or programs’ (18%); 2) ‘legal consumption of turtles by one sector of community clashing the conservation aspirations of other sectors of community (14%); and 3) ’variable enforcement of legislation to limit/prohibit use across range states of the species (10%). From our data it is also apparent that illicit activities in the region are also likely to impact the future success of conservation or monitoring based projects and programs. Overall, an exhaustive review was carried out, and the potential solutions were gathered. Due to the level of severity (physical violence) that some conflicts have reached, achieving solutions will be challenging without mediation, mutual cooperation around shared values, and adaptive management arrangements. Achieving this will require combinations of bottom up and top down collaborative governance approaches

La tragedia del amor unamuniano.

Sin resume

El E- Portafolio como estrategia metodol?gica de evaluaci?n del ?rea de ciencias sociales en b?sica secundaria. Una experiencia educativa en el sector rural en la Instituci?n Educativa T?cnica Camacho Angarita, El Lim?n ? Chaparral

80 P?ginasEl presente trabajo tiene como objeto de estudio proponer el e-portafolio como estrategia metodol?gica de evaluaci?n del ?rea de Ciencias Sociales en los estudiantes del grado noveno de la Instituci?n Educativa T?cnica Camacho Angarita ubicada en el sector rural, corregimiento el Lim?n ? Chaparral, con el fin de promover en el educando una mayor capacidad de reflexi?n sobre su aprendizaje. Esta propuesta surge con la utilizaci?n inicialmente de recursos audiovisuales hasta el uso de las TIC en el ?rea de Ciencias Sociales, caracterizando al docente con un papel orientador m?s que transmisor, a la clase con un lenguaje audiovisual interactivo de im?genes y conceptos que favorecen los procesos de comunicaci?n y socializaci?n entre el docente y los estudiantes. La evaluaci?n en esta experiencia ocupa un lugar central en el proceso educativo, al ser tenida en cuenta en cada momento de la construcci?n del e-portafolio del estudiante, considerando de igual manera que en la actualidad los procesos educativos requieren en el aula curr?culos flexibles en los que el estudiante cuente con espacios no s?lo para aprender, sino tambi?n para reaprender al tener la oportunidad de reestructurar sus producciones acad?micas. El trabajo comprende la sistematizaci?n de una experiencia educativa: antecedentes, caracterizaci?n, etapas para el desarrollo e implicaciones del e-portafolio del estudiante, de igual manera se resaltan las dificultades, obst?culos, alcances y posibles reformas consider?ndose categor?as desde lo rural, pedag?gico, did?ctico, evaluativo y social. Finalmente, se pretende motivar a los docentes para que se integren a los procesos educativos de manera reflexiva y consciente dentro de formas educativas y en especial evaluativas no tradicionales. Palabras claves: TIC, educaci?n, sector rural, evaluaci?n, portafolio educativo, e-portafolio.ABSTRACT. The present work aims to propose the e-portfolio as an assessment methodological strategy of Social Sciences in ninth grade students at the Technical Educational Institution Camacho Angarita located in the rural areas of the district El Lim?n - Chaparral, with the purpose of promoting in students a greater ability to reflect on their own learning. This proposal arises initially with the use of audiovisual resources until the use of ICT in the area of Social Sciences, characterizing the teacher with a guiding role rather than transmitter, adding to the class an interactive audiovisual language of images and concepts that promote processes of communication and socialization between teacher and students. The evaluation of this experience is central to the educational process, when taken into account all the time during the construction of the e-portfolio for the student, also considering that nowadays the educational processes in the classroom require flexible curricula through which the student has space not only to learn, but also to relearn by having the opportunity to restructure their academic productions. This work includes the systematization of an educational experience: backgrounds, characterization, development stages and implications of the student portfolio; likewise It is highlighted the difficulties, obstacles, achievements and possible reforms considering some categories as the rural, pedagogical, didactic, evaluative and social. Finally, it is intended to motivate teachers to be integrated into educational processes in a thoughtful and conscious way in educational forms and more especially in non-traditional evaluative forms.La Facultad de Ciencias de la Educaci?n de la Universidad del Tolima, el director, codirector y el jurado calificador, no son responsables de los conceptos ni de las ideas expuestas por los autores del presente trabajo. Art?culo 16, Acuerdo 032 de 1976 y Art?culo 29, Acuerdo 064 de 1991, Concejo Acad?mico de la Universidad del Tolima.INTRODUCCI?N 13 1. JUSTIFICACI?N 15 2. OBJETIVOS 17 2.1 OBJETIVO GENERAL 17 2.2 OBJETIVOS ESPEC?FICOS 17 3. ANTECEDENTES 18 4. MARCO CONCEPTUAL 20 4.1 GENERALIDADES Y EVOLUCI?N DE LA EDUCACI?N EN LAS INSTITUCIONES EDUCATIVAS DESDE EL CONTEXTO RURAL 20 4.2 EDUCACI?N DEL ?REA DE CIENCIAS SOCIALES EN B?SICA SECUNDARIA 26 4.3 INTEGRACI?N DE LAS TIC AL PROCESO ENSE?ANZA-APRENDIZAJE 28 4.4 GENERALIDADES DE LA EVALUACI?N EDUCATIVA 34 4.5 LA EVALUACI?N DEL APRENDIZAJE EN EL ?REA DE CIENCIAS SOCIALES EN B?SICA SECUNDARIA 39 4.6 EL PORTAFOLIO EDUCATIVO 42 4.7 EL E-PORTAFOLIO COMO ESTRATEGIA METODOL?GICA PARA LA EVALUACI?N DE LOS ESTUDIANTES 46 5. METODOLOG?A DEL TRABAJO 51 6. DESCRIPCI?N DE LA EXPERIENCIA CON EL PORTAFOLIO EDUCATIVO 52 6.1 RECUENTO HIST?RICO DE LA INCORPORACI?N DE LAS TIC Y EL PORTAFOLIO EDUCATIVO EN LA INSTITUCI?N EDUCATIVA T?CNICA CAMACHO ANGARITA 52 6.2 RECUENTO HIST?RICO DEL DESORRALLO DEL PORTAFOLIO EDUCATIVO Y DEL USO DEL E-PORTAFOLIO EN EL ?REA DE CIENCIAS SOCIALES 53 6.3 CARACTER?STICAS DEL PORTAFOLIO EDUCATIVO. 55 6.4 COMPONENTES DEL PORTAFOLIO EDUCATIVO 58 6.5 EL E-PORTAFOLIO DEL ESTUDIANTE COMO ESTRATEGIA DE EVALUACI?N 61 6.5.1 Alcances del e-portafolio del estudiante en la evaluaci?n 62 6.5.2 Uso pedag?gico del software educativo Edraw Max. 65 6.5.3 Implicaciones del portafolio educativo y del e-portafolio del estudiante. 66 7. CONCLUSIONES 71 REFERENCIAS 73 ANEXOS 7

Integrating Lean Six Sigma and discrete-event simulation for shortening the appointment lead-time in gynecobstetrics departments: a case study

Long waiting time to appointment may be a worry for pregnant women, particularly those who need perinatology consultation since it could increase anxiety and, in a worst case scenario, lead to an increase in fetal, infant, and maternal mortality. Treatment costs may also increase since pregnant women with diverse pathologies can develop more severe complications. As a step towards improving this process, we propose a methodological approach to reduce the appointment lead-time in outpatient gynecobstetrics departments. This framework involves combining the Six Sigma method to identify defects in the appointment scheduling process with a discrete-event simulation (DES) to evaluate the potential success of removing such defects in simulation before we resort to changing the real-world healthcare system. To do these, we initially characterize the gynecobstetrics department using a SIPOC diagram. Then, six sigma performance metrics are calculated to evaluate how well the department meets the government target in relation to the appointment lead-time. Afterwards, a cause-and-effect analysis is undertaken to identify potential causes of appointment lead-time variation. These causes are later validated through ANOVA, regression analysis, and DES. Improvement scenarios are next designed and pretested through computer simulation models. Finally, control plans are deployed to maintain the results achieved through the implementation of the DES-Six sigma approach. The aforementioned framework was validated in a public gynecobstetrics outpatient department. The results revealed that mean waiting time decreased from 6.9 days to 4.1 days while variance passed from 2.46 days2 to 1.53 days2

Impact of Pilots’ Mental Health on Aviation Safety

In aviation, safety is the highest priority. Several recent aviation accidents and incidents have brought the mental health issue of the pilots to the forefront of aviation safety. To protect the safety of crew members and passengers, the Federal Aviation Administration (FAA) and other civil aviation authorities across the globe strictly regulate the status of pilots’ physical and mental health. The purpose of this paper is three-folded. First, it describes the significance of pilots’ mental health and its impact on aviation safety. Second, it explores the state of pilots’ current mental health and the causes and side-effects of mental health-related issues. Third, it reviews relevant regulations currently in place and summarizes available resources established by the FAA and civil aviation authorities to support pilots’ mental health. The paper concludes by providing useful recommendations beneficial for the pilots, regulatory agencies, and general public interested in getting a better understanding of mental health-related issues in high-stress professions