Variations in the Electrostatic Landscape of Class II Human Leukocyte Antigen Molecule Induced by Modifications in the Myelin Basic Protein Peptide: A Theoretical Approach

The receptor-ligand interactions involved in the formation of the complex between Class II Major Histocompatibility Complex molecules and antigenic peptides, which are essential for establishing an adaptive immunological response, were analyzed in the Class II Human Leukocyte Antigen (HLA) - Myelin Basic Protein (MBP) peptide complex (HLA-DRβ1*1501-MBP) using a multipolar molecular electrostatic potential approach. The Human Leukocyte Antigen - peptide complex system was divided into four pockets together with their respective peptide fragment and the corresponding occupying amino acid was replaced by each of the remaining 19 amino acids. Partial atomic charges were calculated by a quantum chemistry approach at the Hatree Fock/3-21*G level, to study the behavior of monopole, dipole and quadrupole electrostatic multipolar moments. Two types of electrostatic behavior were distinguished in the pockets' amino acids: “anchoring” located in Pocket 1 and 4, and “recognition” located in Pocket 4 and 7. According to variations in the electrostatic landscape, pockets were ordered as: Pocket 1>Pocket 9≫Pocket 4≈Pocket 7 which is in agreement with the binding ability reported for Class II Major Histocompatibility Complex pockets. In the same way, amino acids occupying the polymorphic positions β13R, β26F, β28D, β9W, β74A, β47F and β57D were shown to be key for this Receptor-Ligand interaction. The results show that the multipolar molecular electrostatic potential approach is appropriate for characterizing receptor-ligand interactions in the MHC–antigenic peptide complex, which could have potential implications for synthetic vaccine design

Comparación de modelos físicos y de inteligencia artificial para predicción de niveles de inundación

La hidrología ha utilizado métodos tradicionales para pronosticar niveles de inundación. Sin embargo, éstos pueden generar problemas de precisión, causados por el comportamiento no lineal de las inundaciones y las limitaciones al no incluir todas las variables, como flujo, y nivel de agua y precipitación. En consecuencia, algunos científicos comenzaron a utilizar métodos no convencionales basados en modelos de inteligencia artificial, pronosticando las inundaciones de manera más precisa y rigurosa. Este artículo presenta una comparación de un modelo de tránsito de flujo unidimensional desarrollado en HEC-RAS y un modelo de inteligencia artificial, basado en redes neuronales artificiales, desarrollado en MatLab, para predecir inundaciones. El análisis de los resultados se llevó a cabo utilizando seis indicadores estadísticos: error absoluto medio (MAE, por su nombre en inglés); error cuadrático medio (MSE); error medio porcentual absoluto (MAPE, por su nombre en inglés); raíz cuadrada de la MSE; coeficiente de correlación de Pearson (CC, por su nombre en inglés), y coeficiente de correlación de concordancia (ρc, por su nombre en inglés). Además, el coeficiente de eficiencia se calculó empleando una herramienta virtual llamada Hydrotest. A partir del análisis se observó en los modelos de pronóstico que el uso de redes neuronales tiene resultados precisos, dada su cercanía con los datos reales: MAPE, entre 11.95 y 12.51; CC, entre 0.90 y 0.92; ρc, entre 0.84 y 0.87, y finalmente un CE más grande que 0.8. El estudio se realizó en una sección de las partes altas del río Bogotá, en Colombia, entre las estaciones hidrológicas de puente Florencia y Tocancipá. Los datos de flujo fueron tomados por la Corporación Autónoma Regional de Cundinamarca (CAR) de septiembre de 2009 a octubre de 2013

Predictors of Compliance with COVID-19 Guidelines Across Countries: The role of social norms, moral values, trust, stress, and demographic factors

Despite the devastating impacts of the COVID-19 pandemic, it provided the opportunity to investigate factors associated with compliance with public health measures that could inform responses to future pandemics. We analysed cross-country data (k = 121, N = 15,740) collected one year into the COVID-19 pandemic to investigate factors related to compliance with COVID-19 guidelines. These factors include social norms, moral values, trust, stress, and demographic factors. We found that social norms to follow preventive measures were positively correlated with compliance with local prevention guidelines. Compliance was also predicted by concern about the moral value of harm and care, trust in government and the scientific community, stress, and demographic factors. Finally, we discuss country-level differences in the associations between predictors and compliance. Overall, results indicate that the harm/care dimension of moral foundations and trust are critical to the development of programs and policies aimed at increasing compliance with measures to reduce the spread of disease

Caribbean Corals in Crisis: Record Thermal Stress, Bleaching, and Mortality in 2005

BACKGROUND The rising temperature of the world's oceans has become a major threat to coral reefs globally as the severity and frequency of mass coral bleaching and mortality events increase. In 2005, high ocean temperatures in the tropical Atlantic and Caribbean resulted in the most severe bleaching event ever recorded in the basin. METHODOLOGY/PRINCIPAL FINDINGS Satellite-based tools provided warnings for coral reef managers and scientists, guiding both the timing and location of researchers' field observations as anomalously warm conditions developed and spread across the greater Caribbean region from June to October 2005. Field surveys of bleaching and mortality exceeded prior efforts in detail and extent, and provided a new standard for documenting the effects of bleaching and for testing nowcast and forecast products. Collaborators from 22 countries undertook the most comprehensive documentation of basin-scale bleaching to date and found that over 80% of corals bleached and over 40% died at many sites. The most severe bleaching coincided with waters nearest a western Atlantic warm pool that was centered off the northern end of the Lesser Antilles. CONCLUSIONS/SIGNIFICANCE Thermal stress during the 2005 event exceeded any observed from the Caribbean in the prior 20 years, and regionally-averaged temperatures were the warmest in over 150 years. Comparison of satellite data against field surveys demonstrated a significant predictive relationship between accumulated heat stress (measured using NOAA Coral Reef Watch's Degree Heating Weeks) and bleaching intensity. This severe, widespread bleaching and mortality will undoubtedly have long-term consequences for reef ecosystems and suggests a troubled future for tropical marine ecosystems under a warming climate.This work was partially supported by salaries from the NOAA Coral Reef Conservation Program to the NOAA Coral Reef Conservation Program authors. NOAA provided funding to Caribbean ReefCheck investigators to undertake surveys of bleaching and mortality. Otherwise, no funding from outside authors' institutions was necessary for the undertaking of this study. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript

Abundance and Species Richness of Leafhoppers and Planthoppers (Hemiptera: Cicadellidae and Delphacidae) in Brazilian Maize Crops

Fil: De Oliveira, Charles Martins. Embrapa Cerrados. Planaltina. Brasília/DF; BrazilFil: De Oliveira, Elizabeth. Embrapa Milho e Sorgo. Sete Lagoas/MG; BrazilFil: Prazeres De Souza, Isabel Regina. Embrapa Milho e Sorgo. Sete Lagoas/MG; BrazilFil: Alves, Elcio. DuPont do Brazil S.A. DivisÆo Pioneer Sementes. Itumbiara/GO; BrazilFil: Dolezal, William. Pioneer Hi-Bred International. Itumbiara/GO; BrazilFil: Paradell, Susana Liria. División Entomología. Facultad de Ciencias Naturales y Museo. Universidad Nacional de La Plata; ArgentinaFil: Marino de Remes Lenicov, Ana María. División Entomología. Facultad de Ciencias Naturales y Museo. Universidad Nacional de La Plata; ArgentinaFil: Frizzas, Marina Regina. Universidade de Brasília. Departamento de Zoologia. Instituto de Ciências Biológicas. Brasília/DF; Brazi

MagneToRE: Mapping the 3-D Magnetic Structure of the Solar Wind Using a Large Constellation of Nanosatellites

Unlike the vast majority of astrophysical plasmas, the solar wind is accessible to spacecraft, which for decades have carried in-situ instruments for directly measuring its particles and fields. Though such measurements provide precise and detailed information, a single spacecraft on its own cannot disentangle spatial and temporal fluctuations. Even a modest constellation of in-situ spacecraft, though capable of characterizing fluctuations at one or more scales, cannot fully determine the plasma’s 3-D structure. We describe here a concept for a new mission, the Magnetic Topology Reconstruction Explorer (MagneToRE), that would comprise a large constellation of in-situ spacecraft and would, for the first time, enable 3-D maps to be reconstructed of the solar wind’s dynamic magnetic structure. Each of these nanosatellites would be based on the CubeSat form-factor and carry a compact fluxgate magnetometer. A larger spacecraft would deploy these smaller ones and also serve as their telemetry link to the ground and as a host for ancillary scientific instruments. Such an ambitious mission would be feasible under typical funding constraints thanks to advances in the miniaturization of spacecraft and instruments and breakthroughs in data science and machine learning

Design, development and validation of a new laryngo-pharyngeal endoscopic esthesiometer and range-finder based on the assessment of air-pulse variability determinants

BACKGROUND: Laryngo-pharyngeal mechano-sensitivity (LPMS) is involved in dysphagia, sleep apnea, stroke, irritable larynx syndrome and cough hypersensitivity syndrome among other disorders. These conditions are associated with a wide range of airway reflex abnormalities. However, the current device for exploring LPMS is limited because it assesses only the laryngeal adductor reflex during fiber-optic endoscopic evaluations of swallowing and requires a high degree of expertise to obtain reliable results, introducing intrinsic expert variability and subjectivity. METHODS: We designed, developed and validated a new air-pulse laryngo-pharyngeal endoscopic esthesiometer with a built-in laser range-finder (LPEER) based on the evaluation and control of air-pulse variability determinants and on intrinsic observer variability and subjectivity determinants of the distance, angle and site of stimulus impact. The LPEER was designed to be capable of delivering precise and accurate stimuli with a wide range of intensities that can explore most laryngo-pharyngeal reflexes. RESULTS: We initially explored the potential factors affecting the reliability of LPMS tests and included these factors in a multiple linear regression model. The following factors significantly affected the precision and accuracy of the test (P < 0.001): the tube conducting the air-pulses, the supply pressure of the system, the duration of the air-pulses, and the distance and angle between the end of the tube conducting the air-pulses and the site of impact. To control all of these factors, an LPEER consisting of an air-pulse generator and an endoscopic laser range-finder was designed and manufactured. We assessed the precision and accuracy of the LPEER's stimulus and range-finder according to the coefficient of variation (CV) and by looking at the differences between the measured properties and the desired values, and we performed a pilot validation on ten human subjects. The air-pulses and range-finder exhibited good precision and accuracy (CV < 0.06), with differences between the desired and measured properties at <3 % and a range-finder measurement error of <1 mm. The tests in patients demonstrated obtainable and reproducible thresholds for the laryngeal adductor, cough and gag reflexes. CONCLUSIONS: The new LPEER was capable of delivering precise and accurate stimuli for exploring laryngo-pharyngeal reflexes

Exploring Attitudes Toward “Sugar Relationships” Across 87 Countries: A Global Perspective on Exchanges of Resources for Sex and Companionship

The current study investigates attitudes toward one form of sex for resources: the so-called sugar relationships, which often involve exchanges of resources for sex and/or companionship. The present study examined associations among attitudes toward sugar relationships and relevant variables (e.g., sex, sociosexuality, gender inequality, parasitic exposure) in 69,924 participants across 87 countries. Two self-report measures of Acceptance of Sugar Relationships (ASR) developed for younger companion providers (ASR-YWMS) and older resource providers (ASR-OMWS) were translated into 37 languages. We tested cross-sex and cross-linguistic construct equivalence, cross-cultural invariance in sex differences, and the importance of the hypothetical predictors of ASR. Both measures showed adequate psychometric properties in all languages (except the Persian version of ASR-YWMS). Results partially supported our hypotheses and were consistent with previous theoretical considerations and empirical evidence on human mating. For example, at the individual level, sociosexual orientation, traditional gender roles, and pathogen prevalence were significant predictors of both ASR-YWMS and ASR-OMWS. At the country level, gender inequality and parasite stress positively predicted the ASR-YWMS. However, being a woman negatively predicted the ASR-OMWS, but positively predicted the ASR-YWMS. At country-level, ingroup favoritism and parasite stress positively predicted the ASR-OMWS. Furthermore, significant cross-subregional differences were found in the openness to sugar relationships (both ASR-YWMS and ASR-OMWS scores) across subregions. Finally, significant differences were found between ASR-YWMS and ASR-OMWS when compared in each subregion. The ASR-YWMS was significantly higher than the ASR-OMWS in all subregions, except for Northern Africa and Western Asia

Setting research priorities to improve global newborn health and prevent stillbirths by 2025.

BACKGROUND: In 2013, an estimated 2.8 million newborns died and 2.7 million were stillborn. A much greater number suffer from long term impairment associated with preterm birth, intrauterine growth restriction, congenital anomalies, and perinatal or infectious causes. With the approaching deadline for the achievement of the Millennium Development Goals (MDGs) in 2015, there was a need to set the new research priorities on newborns and stillbirth with a focus not only on survival but also on health, growth and development. We therefore carried out a systematic exercise to set newborn health research priorities for 2013-2025. METHODS: We used adapted Child Health and Nutrition Research Initiative (CHNRI) methods for this prioritization exercise. We identified and approached the 200 most productive researchers and 400 program experts, and 132 of them submitted research questions online. These were collated into a set of 205 research questions, sent for scoring to the 600 identified experts, and were assessed and scored by 91 experts. RESULTS: Nine out of top ten identified priorities were in the domain of research on improving delivery of known interventions, with simplified neonatal resuscitation program and clinical algorithms and improved skills of community health workers leading the list. The top 10 priorities in the domain of development were led by ideas on improved Kangaroo Mother Care at community level, how to improve the accuracy of diagnosis by community health workers, and perinatal audits. The 10 leading priorities for discovery research focused on stable surfactant with novel modes of administration for preterm babies, ability to diagnose fetal distress and novel tocolytic agents to delay or stop preterm labour. CONCLUSION: These findings will assist both donors and researchers in supporting and conducting research to close the knowledge gaps for reducing neonatal mortality, morbidity and long term impairment. WHO, SNL and other partners will work to generate interest among key national stakeholders, governments, NGOs, and research institutes in these priorities, while encouraging research funders to support them. We will track research funding, relevant requests for proposals and trial registers to monitor if the priorities identified by this exercise are being addressed