First-Principle Characterization of Structural, Electronic, and Optical Properties of Tin-Halide Monomers.

The growing interest in tin-halide semiconductors for photovoltaic applications demands an in-depth knowledge of the fundamental properties of their constituents, starting from the smallest monomers entering the initial stages of formation. In this first-principles work based on time-dependent density-functional theory, we investigate the structural, electronic, and optical properties of tin-halide molecules SnXn2-n, with n=1,2,3,4 and X = Cl, Br, I, simulating these compounds in vacuo as well as in an implicit solvent. We find that structural properties are very sensitive to the halogen species while the charge distribution is also affected by stoichiometry. The ionicity of the Sn-X bond is confirmed by the Bader charge analysis albeit charge displacement plots point to more complex metal-halide coordination. Particular focus is posed on the neutral molecules SnX2, for which electronic and optical properties are discussed in detail. Band gaps and absorption onset decrease with increasing size of the halogen species, and despite general common features, each molecule displays peculiar optical signatures. Our results are elaborated in the context of experimental and theoretical literature, including the more widely studied lead-halide analogs, aiming to contribute with microscopic insight to a better understanding of tin-halide perovskites.

Dataset on in-vitro study of chitosan-graphene oxide films for regenerative medicine.

Chitosan (CS) is well-known for its biological properties, especially its ability to induce tissue cicatrization. However, considerable research proved that CS presents a high inflammatory response and poor mechanical properties. For these reasons, we decided to use chitosan (CS) functionalized GO by a covalent bond (CS-GO). Due to the resistant structure of the GO and the high presence of oxygen functional groups on it, it will enhance the biocompatibility of the material. The data obtained in this investigation aimed to prove the possible application of CS-GO in regenerative medicine. For this reason, it was performed an In vitro analysis using brine shrimp to prove materials biocompatibility and gingival fibroblasts for a cell growth test.

Synthesis and fabrication of films including graphene oxide functionalized with chitosan for regenerative medicine applications.

Graphene oxide (GO) has recently gained attention as a scaffold reinforcing agent for tissue engineering. Biomechanical and biological properties through a synergistic effect can be strengthened when combined with other materials such as chitosan (CS). For that reason, chitosan was used for Graphene Oxide (GO) functionalization through an amide group whose formation was evident by bands around 1600 cm-1 in the FTIR analysis. Furthermore, bands located at 1348 cm-1 (D band), 1593 cm-1 (G band), and 2416 cm-1 (2D band) in the RAMAN spectrum, and the displacement of the signal at 87.03 ppm (C5) in solid-state 13C-NMR confirmed the amide formation. Films including the CS-GO compound were prepared and characterized by thermogravimetric analysis (TGA), where CS-GO film presented a lighter mass loss (~10% less loosed) than CS due probably to the covalent functionalization with GO, providing film thermal resistance. The CS-GO films synthesized were implanted in Wistar rats' subdermal tissue as a first approximation to the biological response. In vivo tests showed a low inflammatory response, good cicatrization, and advanced resorption at 60 days of implantation, as indicated by histological images. It was evidenced that the covalent union between CS and GO increased biocompatibility and the degradation/resorption capacity, demonstrating tissue regeneration with typical characteristics and tiny remnants of implanted material surrounded by a type III collagen capsule. These results show the potential application of the new synthesized films, including the CS-GO compound, in tissue engineering.

Exploring organic semiconductors in solution: the effects of solvation, alkylization, and doping.

The first-principles simulation of the electronic structure of organic semiconductors in solution poses a number of challenges that are not trivial to address simultaneously. In this work, we investigate the effects and the mutual interplay of solvation, alkylization, and doping on the structural, electronic, and optical properties of sexithiophene, a representative organic semiconductor molecule. To this end, we employ (time-dependent) density functional theory in conjunction with the polarizable-continuum model. We find that the torsion between adjacent monomer units plays a key role, as it strongly influences the electronic structure of the molecule, including energy gap, ionization potential, and band widths. Alkylization promotes delocalization of the molecular orbitals up to the first methyl unit, regardless of the chain length, leading to an overall shift of the energy levels. The alterations in the electronic structure are reflected in the optical absorption, which is additionally affected by dynamical solute-solvent interactions. Taking all these effects into account, solvents decrease the optical gap by an amount that depends on its polarity, and concomitantly increase the oscillator strength of the first excitation. The interaction with a dopant molecule promotes planarization. In such scenario, solvation and alkylization enhance charge transfer both in the ground state and in the excited state.

Diagnóstico y tratamiento de pacientes con telangiectasia hemorrágica hereditaria (síndrome de Rendu-Osler-Weber) en un hospital universitario en Colombia / Diagnosis and treatment of patients with hereditary hemorrhagic telangiectasia (Rendu-Osler-Weber syndrome) at a university hospital in Colombia

Resumen Introducción: la telangiectasia hemorrágica hereditaria (THH) es una enfermedad vascular hereditaria caracterizada por epistaxis, sangrado digestivo y anemia crónica; en muchos casos hay malformaciones arteriovenosas de órganos sólidos. El diagnóstico se realiza con base en datos clínicos, hallazgos endoscópicos e imagenológicos. La detección temprana con enfoque multidisciplinario y tratamiento de las complicaciones impacta en morbimortalidad de la enfermedad. Objetivos: describir las características demográficas, clínicas y desenlaces de pacientes con diagnóstico de THH en un hospital universitario. Métodos: estudio tipo serie de casos en pacientes evaluados entre 2012 hasta el 2017. Resultados: se obtuvieron registros de 18 casos, 11 (61,1 %) hombres, con edad mediana de 56 años (rango intercuartílico [IQR]: 52-64). Los casos son provenientes de Colombia y algunos países caribeños. En todos los pacientes el diagnóstico se estableció mediante los criterios de Curazao. El número de ingresos hospitalarios tuvo una mediana de 6 días (IQR: 2,5-20,5). Los ingresos fueron en relación a sangrado en todos los casos, 61 % de los pacientes requirió transfusión de hemoderivados. En el 61 % de los pacientes se identificó compromiso en el órgano sólido mediante imágenes. Conclusiones: la THH es una enfermedad de expresión clínica variable. En nuestro estudio las manifestaciones gastrointestinales fueron las causas de ingreso más frecuentes. Se requirió con frecuencia transfusión de hemoderivados. Los pacientes requirieron múltiples estudios para identificar la extensión de la enfermedad y el compromiso de órgano sólido. El tratamiento se basó en el manejo endoscópico y médico, especialmente a base de bevacizumab y octreotida.

Abstract Introduction: Hereditary hemorrhagic telangiectasia (HHT or Osler-Weber-Rendu syndrome) is a hereditary vascular disease characterized by recurrent epistaxis, gastrointestinal bleeding and chronic anemia. Many cases have arteriovenous malformations of solid organs. Diagnosis is based on clinical data, endoscopy and imaging. Early detection and treatment of complications with a multidisciplinary approach impacts the disease's morbidity and mortality. Objectives: The objective of this study was to describe the demographic, clinical and outcome characteristics of patients diagnosed with HHT at a university hospital. Methods: This is a case series of patients evaluated between 2012 and 2017. Results: Records of 18 cases were obtained. The patients were from Colombia and other Caribbean countries. All diagnoses were established using the Curaçao criteria. Eleven patients 11 (61.1%) were men, and the median patient age was 56 years (IQR 52-64). The median number of hospital admissions was 6 (33.3%) (IQR 2.5-20.5), and all admissions were related to bleeding. Sixty-one percent of patients required transfusion of blood products, and the compromises of solid organs were found in the same number of patients by imaging studies. Conclusions: The clinical expression of THH varies, but in our study gastrointestinal manifestations were the most frequent causes of hospital admission. They frequently required transfusion of blood products and patients required multiple studies to identify the extent of the disease, and solid organ compromise. Treatment was based on endoscopic and medical management, especially administration of bevacizumab and octreotide.

Tratamiento temprano de la mordida abierta anterior con aparatología ortopédica funcional. Reporte de caso / Early treatment of anterior open bite with functional orthopedic appliances. A case report

En las mordidas abiertas anteriores se tienen alteradas las relaciones oclusales y existen discrepancias desde las bases óseas que ocasionan una parafunción muscular desencadenando un desequilibrio en todo el sistema estomatognático. Al intervenir de manera temprana esta alteración, se logra además de recuperar las funciones normales, proporcionar cambios faciales que mejoran la estética del paciente. Es importante que el profesional recuerde la complejidad de la etiología multifactorial de las mordidas abiertas anteriores para lograr su corrección y tener una estabili - dad alargo plazo. Para el tratamiento se han descrito distintas terapéuticas como - ortodoncia, ortopedia funcional e incluso intervenciones quirúrgicas. Se presenta un caso clínico de un paciente de 7 años de edad, género masculino, quien consulta para tratamiento ortopédico, los hallazgos clínicos y cefalométricos determinan una maloclusión clase II con mordida abierta anterior esquelética, patrón respiratorio con predomio oral y deglución atípica. El tratamiento ortopédico se realizó con apara - tología funcional usando Simoes Network 2 (SN2). Al primer año de seguimiento ya se observan cambios clínicos faciales e intraorales, y al siguiente año los cambios radiográficos reflejan la mejoría en las relaciones craneofaciales y funcionales.

Anterior open bites are characterized by altered occlusal relationships. They cau - se discrepancies at the jaws that trigger a parafunctional muscular imbalance throughout the stomatognathic system. When this alteration is intervened early, again of normal functions can be achieved but also intervention causes facial changes that improve the aesthetics of the patient. It is important to take into consideration the complexity and the multifactorial etio - logy of anterior open bites to achieve their correction and long-term clinical stability. Different therapeutic approaches have been described for the treatment of anterior open bites including: orthodontics, functional orthopedics and even surgical interven - tions. Here We present a clinical case of a seven-year-old male patient who consulted for orthopedic treatment of an anterior open bite. Clinical findings determined a Class II cephalometric malocclusion with anterior skeletal open bite, oral respiratory pattern and atypical swallowing. Orthopedic treatment was done using Simoes Network 2 (SN2) functional appliances. At the first year of follow-up facial and intraoral clini - cal changes were noted. During the second year of follow-up radiographic changes showed improvement in craniofacial and functional relationships.

Dimensiones de la empatía en excombatientes del conflicto armado Colombiano utilizando una escala estandarizada / Dimensions of empathy in ex-combatants of the Colombian armed conflict using a standardized scale

Introducción: La empatía es uno de los constructos de la llamadas neurociencias sociales. Se define como una disposición de dimensiones múltiples que permite colocarse en el estado emocional del otro. Colombia presenta un conflicto interno irregular prolongado, que ha venido deteriorándose en crueldad. Objetivos: Evaluar las dimensiones de la empatía de 285 excombatientes del conflicto armado colombiano, usando el Índice de Reactividad Interpersonal (IRI) en español. Métodos y sujetos: Se seleccionó una muestra de 285 excombatientes, 241 (84,6 %) hombres: 85,3 % paramilitares y 14,7 % guerrilleros. Se les aplicó el IRI de 28 ítems. Se realizaron 3 análisis de factores exploratorios (AFE) y análisis factoriales confirmatorios (AFC), utilizando ecuaciones estructurales. Resultados: Un primer AFE obtuvo 9 factores (KMO = 0,74 y 54,7 % de varianza, consistencia interna [CI]: 0,22-0,63). Un segundo AFE con 20 ítems con cargas superiores a 0,4 mostró una estructura de 6 factores (KMO = 0,70, 50,3 % de varianza; CI: 0,37-0,63). Un tercer AFE forzó las 4 dimensiones originales (KMO = 0,74, varianza 33,77 % y CI: 0,44-0,77). El AFC mostró índices de bondad de ajuste adecuados para los 3 modelos. El de 4 factores obtuvo los más bajos, y el de 6 factores, los más altos. El modelo de 4 factores obtuvo la mejor CI. Conclusión: El IRI en español en excombatientes del conflicto Colombiano tiene estructuras posibles de 4, 6 y 9 factores. El mejor ajuste es la de 6 factores. La de 4 factores tuvo mejor CI.

Introduction: Empathy is one of the main concepts of in social neurosciences. It is defined as a trait with multiple dimensions allowing individuals to place themselves in the emotional states of others. Colombia has an irregular, internal and long-lasting armed conflict which has been increasing its cruelty levels. Objectives: to assess the empathy dimensions of 285 ex-combatants from the internal Colombian conflict, using the Interpersonal Reactivity Index(IRI) in Spanish. Methodology and Subjects: a sample of 285 male ex-combatants, 241 (84, 6%) males: 85,3% paramilitaries, and 14,7% guerillas. The 28 Item IRI questionnaires were administered. 3 exploratory factor analyses (EFA) were performed. Confirmatory factor analyses (CFA) were developed using structural equation procedures. Results: The first EFA obtained 9 factors (KMO=0,74, variance 54,7% and internal consistency (IC): 0,22 - 0,63). The second EFA produced 20 items with burdens above 0,4 and showed a 6-factor structure (KMO=0,70, variance 50,3%, IC: 0,37 - 0,63). The third EFA forced the 4 original IRI dimensions (KMO=0,74, variance 33,77, IC: 0,44 - 0,77. CFAs showed goodness of adjustment indexes adequate for the three models. The 4-factor model obtained the lowest value, while the 6-factor model obtained the highest. The 4- factor model showed the best IC. Conclusion: The Spanish IRI administered to ex-combatants of the Colombian conflict has possible structures of 4, 6 and 9 factors. The best adjustment was for the 6-fctor. The 4-factor model exhibited the best IC.

[Dimensions of Empathy in Ex-Combatants of the Colombian Armed Conflict Using a Standardized Scale]. / Dimensiones de la empatía en excombatientes del conflicto armado colombiano utilizando una escala estandarizada.

INTRODUCTION: Empathy is one of the main concepts of in social neurosciences. It is defined as a trait with multiple dimensions allowing individuals to place themselves in the emotional states of others. Colombia has an irregular, internal and long-lasting armed conflict which has been increasing its cruelty levels. OBJECTIVES: to assess the empathy dimensions of 285 ex-combatants from the internal Colombian conflict, using the Interpersonal Reactivity Index(IRI) in Spanish. METHODOLOGY AND SUBJECTS: a sample of 285 male ex-combatants, 241 (84, 6%) males: 85,3% paramilitaries, and 14,7% guerillas. The 28 Item IRI questionnaires were administered. 3 exploratory factor analyses (EFA) were performed. Confirmatory factor analyses (CFA) were developed using structural equation procedures. RESULTS: The first EFA obtained 9 factors (KMO=0,74, variance 54,7% and internal consistency (IC): 0,22 - 0,63). The second EFA produced 20 items with burdens above 0,4 and showed a 6-factor structure (KMO=0,70, variance 50,3%, IC: 0,37 - 0,63). The third EFA forced the 4 original IRI dimensions (KMO=0,74, variance 33,77, IC: 0,44 - 0,77. CFAs showed goodness of adjustment indexes adequate for the three models. The 4-factor model obtained the lowest value, while the 6-factor model obtained the highest. The 4- factor model showed the best IC. CONCLUSION: The Spanish IRI administered to ex-combatants of the Colombian conflict has possible structures of 4, 6 and 9 factors. The best adjustment was for the 6-fctor. The 4-factor model exhibited the best IC.

Agenesia de primeros y segundos molares permanentes: Revisión de literatura y reporte de casos / Agenesis of first and second permanent molars: Literature review and cases reports

La agenesia dental es la ausencia de uno o más dientes en la dentición temporal o permanente, es la alteración dental más fre - cuente, se puede presentar de forma aislada o como parte de un síndrome genético, la incidencia de agenesia en dientes perma - nentes varía de 1,6 -9,6%, excluyendo los terceros molares, mientras que en dentición temporal el intervalo es de 0,5 a 0,9%. Los factores que actualmente se relacionan con la agenesia dental, son los genes y sus vías de señalización. Específicamente el Pax9 se ha asociado a la falta de molares permanentes. La agenesia de los primeros y segundos molares permanentes aunque no es muy frecuente ha sido reportada en la literatura en forma aislada y puede resultar en una maloclusión, alterando el equilibrio. Por lo tanto, el diagnóstico temprano es fundamental para instaurar un plan de tratamiento adecuado que permita guiar la erupción del resto de los dientes y evitar la aparición de secuelas por causa de la agenesia. Se presentan cuatro casos clínicos de pacientes con agenesia de pri- meros y segundos molares permanentes para complementar la revisión de literatura...(Au)

Tooth agenesis is the absence of one or more teeth in temporary or permanent den - tition. This anomaly in craniofacial malfor - mations is more frequent, that may occur as an isolated anomaly or as part of a genetic syndrome. The incidence of agenesis of permanent teeth varies1.6-9.6%, excluding third molars, while in primary dentition the range is 0.5 to 0.9%. The factors that are related to dental agenesis, are the genes and signaling pathways. Specifically Pax9 has been associated with the lack of permanent molars. Agenesis of the first and second permanent molars is not very common but has been reported in the literature and can be isolated or causing malocclusion. Therefore, early diagnosis is essential to establish a treatment plan to help guide the eruption of other teeth and prevent sequel due to agenesis. Four clinical cases are pre - sented of patients with agenesis of first and second permanent molars to complement the literature review...(Au)