Environmental impacts of medium-scale pig farming at technical and economic optimum production weight in Mexico.

Medium-scale pig production systems, which make up 30 % of Mexico's pig farms, face two key obstacles impacting their economic and financial performance. The first is the absence of a sales plan based on pigs' weight, which negatively affects both profitability and resource management. The second obstacle is inadequate waste management, which hampers efforts to mitigate environmental impacts generated by pig farms. Based on this criterion, this study aims to determine technical and economic optimum levels of a medium-scale pig farm and evaluate its associated environmental impacts. Based on the last farm sale weight (116.3 kg - base scenario), technical and economic optimum levels were estimated using a production function, resulting in a technical optimum of 155 kg and an economic optimum of 127 kg. An environmental assessment of the pig fattening process was carried out following the principles of the Life Cycle Analysis methodological framework. Using a cradle-to-farm gate perspective, and establishing 1 kg of live-weight pig as the functional unit. The results indicated that production at maximum weight level (155 kg), increased environmental impacts by 60 % to 75 % compared to the base scenario. In contrast, at the maximum economic benefit level (127 kg), environmental impacts increased by 5 % to 10 %. Feed production represented the largest contribution (over 74 %) in six impact categories. The results provide valuable information for medium-scale pig farms to mitigate the environmental burdens associated with the optimal production weight and to direct efforts towards achieving future economic and environmental efficiency.

Economic and financial viability of a pig farm in central semi-tropical Mexico: 2022-2026 prospective.

To estimate the economic and financial viability of a pig farm in central sub-tropical Mexico within a 5-year planning horizon, a Monte Carlo simulation model was utilized. Net returns were projected using simulated values for the distribution of input and product processes, establishing 2021 as base scenario. A stochastic modelling approach was employed to determine the economic and financial outlook. The findings reveal a panorama of economic and financial viability. Net income increased by 555%, return on assets rose from 3.36% in 2022 to 11.34% in 2026, and the probability of decapitalization dropped from 58% to 13%, respectively in the aforesaid periods. Similarly, the probability of obtaining negative net income decreased from 40% in 2022 to 18% in 2026. The technological, productive, and economic management of the production unit allowed for a favorable scenario within the planning horizon. There is a growing interest in predicting the economic sectors worth investing in and supporting, considering their economic and development performance. This research offers both methodological and scientific evidence to demonstrate the feasibility of establishing a planning schedule and validating the suitability of the pork sector for public investment and support.

Prevalence, Onset, Evolution, and Prediction of Spasticity Poststroke: A Longitudinal Study / Prevalencia, inicio, evolución y predicción de la espasticidad posterior a un ACV: un estudio longitudinal / Prevalência, início, evolução e previsão de espasticidade após AVC: um estudo longitudinal

Introduction: Because of the the complex physiopathology of spasticity, it is distinguished as one of the most significant positive clinical signs of upper motor neuron syndrome, constituting a clinical feature that has great impact in the neurorehabilitation setting. Thus, the current study aimed to determine the prevalence, onset, evolution, and prediction of spasticity after a stroke. Materials and Methods: A correlational, longitudinal design was used. A total of 136 patients were evaluated at the following times: 10 days (T1), 3 months (T2), and 12 months (T3) poststroke. The initial evaluation included sociodemographic and clinical data (T1). Muscle tone was measured (T1, T2, and T3) using the Modified Ashworth Scale. Results: The prevalence of poststroke spasticity in the elbow was 37.5 % at T1 and 57.4 % at T2 and T3. Among patients with motor damage, the onset of spasticity occurred at T1 in 44.7 %, between T1 and T2 in 23.7 %, and between T2 and T3 in 0.9 %. Significant predictors of the alteration in muscular tone for at least two of the evaluation times were ethnic self-classification, type, area, extent of stroke, and number of sessions. Conclusions: Spasticity onset occurs during the first 10 days after a stroke. More clinical than sociodemographic variables predicted spasticity.

Introducción: la espasticidad se destaca como uno de los signos clínicos positivos más significativos del síndrome de motoneurona superior, por su compleja fisiopatología, y constituye una característica clí- nica de gran impacto en el ámbito de la neurorrehabilitación. Por lo tanto, el objetivo fue determinar la prevalencia, el inicio, la evolución y la predicción de la espasticidad después de un accidente cerebro- vascular. Materiales y métodos: se utilizó un diseño longitudinal correlacional. Se evaluaron 136 pacientes: 10 días (T1), 3 meses (T2) y 12 meses (T3) pos-ACV. La evaluación incluyó datos sociodemográficos y clínicos (T1) y se midió el tono muscular (T1, T2 y T3) mediante la Escala de Ashworth Modificada. Resultados: la prevalencia en el codo fue del 37.5 % en T1, y del 57.4 % en T2 y T3. Entre los pacientes con daño motor, el inicio de la espasticidad ocurrió en T1 para el 44.7 % de ellos, entre T1 y T2 para el 23.7 % y entre T2 y T3 para el 0.9 %. La autoclasificación étnica, el tipo, el área, la extensión del ictus y el número de sesiones predijeron significativamente la alteración del tono muscular en al menos dos ocasiones. Conclusiones: el inicio de la espasticidad ocurre durante los 10 primeros días después de un ACV. Más variables clínicas que sociodemográficas predijeron espasticidad.

Introdução: a espasticidade destaca-se como um dos sinais clínicos positivos mais significativos da síndrome do neurônio motor superior, devido à sua fisiopatologia complexa, e constitui uma característica clínica de grande impacto no campo da neurorreabilitação. Portanto, nosso objetivo foi determinar a prevalência, início, evolução e predição da espasticidade após o acidente vascular cerebral. Materiais e métodos: foi utilizado um desenho correlacional longitudinal. Foram avaliados 136 pacientes: 10 dias (T1), 3 meses (T2) e 12 meses (T3) pós-AVC. A avaliação incluiu dados sociodemográficos e clínicos (T1) e o tônus muscular (T1, T2 e T3) foi medido por meio da Escala Modificada de Ashworth. Resultados: a prevalência no cotovelo foi de 37,5 % em T1 e 57,4 % em T2 e T3. Entre os pacientes com prejuízo motor, o início da espasticidade ocorreu em T1 em 44,7 % deles, entre T1 e T2 em 23,7 % e entre T2 e T3 em 0,9 % dos pacientes. A autoclassificação étnica, o tipo, a área, a extensão do AVC e o número de sessões predisseram significativamente as anormalidades do tônus muscular em pelo menos duas ocasiões. Conclusões: o início da espasticidade ocorre durante os primeiros 10 dias após o acidente vascular cerebral. Mais variáveis clínicas do que sociodemográficas previram a espasticidade

Distribución de patrones espásticos en extremidad superior posterior a un daño de motoneurona superior / Distribution of spastic patterns in upper extremity after an upper motor neuron syndrome

ANTECEDENTES: la evidencia sobre personas que presentan daño de motoneurona superior y desarrollan un patrón de espasticidad en extremidad superior (EES) es limitada. Este signo positivo de disfunción o secundario al daño de la motoneurona superior se asocia con pérdida de función y disminución de la independencia, provocando discapacidad y alterando la calidad de vida. OBJETIVO: determinar la distribución de frecuencias de los patrones de EES, muñeca, dedos y pulgar posterior a un daño de motoneurona superior. MÉTODO: diseño descriptivo de corte transversal prospectivo. Se realizó una medición a 206 sujetos pertenecientes a 17 centros de salud, quienes cumplieron con los criterios de inclusión y firmaron el consentimiento. La evaluación incluyó datos clínicos y la evaluación del patrón de EES (Clasificación de Hefter), muñeca, dedos (Zancolli adaptado) y pulgar (Clasificación de House). RESULTADOS: El análisis consideró cada una de las taxonomías de los patrones de EES evaluados (Hefter I a V). La distribución de frecuencias fue investigada mediante la prueba χ2 de bondad de ajuste, seguida de la inspección post hoc de los residuos estandarizados (z) en cada celda. Se identificaron frecuencias significativamente mayores en: el patrón III de extremidad superior, el patrón cubitalizado neutro de muñeca, el patrón del flexor profundo y mixto de Zancolli adaptado, y en los patrones 3, 4 del pulgar. Ninguna taxonomía se asoció al tiempo de evolución y tipo de ACV. CONCLUSIÓN: El estudio aporta evidencia relevante sobre la distribución frecuencia de patrones espásticos, posterior a un daño de motoneurona superior. La información proporcionada busca apoyar el proceso de decisión terapéutica potenciando la recuperación funcional de la extremidad superior.

BACKGROUND: The evidence regarding people who present superior motor neuron damage and develop a pattern of spasticity in the upper limb (SUL) is limited. This positive sign of the superior motor neuron is associated with both the loss of function and the decreased independence, causing disability and altering life quality. OBJECTIVE: to determine the frequency distribution of SUL, wrist, finger and thumb patterns after superior motor neuron damage. METHOD: prospective cross-sectional descriptive design, the sample consisted of 206 patients belonging to 17 health centers, who met the inclusion criteria and signed the informed consent, approved by the committee of ethics. The study considered a measurement, including clinical data and evaluation of the pattern of SUL (Hefter´s classification), wrist, fingers (adapted Zancolli) and thumb (House Classification). RESULTS: The analysis considered each of the taxonomies of evaluated patterns (Hefter´s I-V). Frequency distribution was investigated by χ2 goodness of fit tests, followed by post hoc inspection of standardized residues (z) in each cell. Significantly higher frequencies were identified in the upper limb pattern III, the neutral cubitalized wrist pattern, the adapted Zancolli deep flexor pattern and in the thumb patterns 3, 4. No taxonomy was associated with the evolution time and type of stroke. CONCLUSION: The study provides with relevant scientific evidence regarding the frequency distribution of spasticity patterns after superior motor neuron damage. The information provided can support the therapeutic decision process by enhancing the functional recovery of upper limb.

Adverse events associated with antimicrobial compounds in a general hospital in Chile / Efectos adversos asociados al uso de antibióticos en un hospital general

ABSTRACT Background: Antimicrobial compounds are associated with a wide range of adverse events (AE) and some of them can be potentially preventable. Aim: To characterize AE associated with antimicrobial compounds. Patients and Methods: Retrospective analysis of AEs reported to the National Pharmacological Surveillance System from 2014 to 2017 in a regional hospital. Severity, causality and preventability were analyzed. Results: Sixty events were observed in 56 patients aged 2 months to 96 years. Cases were registered mostly in hospitalized patients. The most frequent AEs were skin disorders (56.7%), followed by hepatobiliary (13.3%), and CNS events (10%). Blood, kidney, respiratory gastrointestinal and immunological disorders were less frequently registered, including cases with anaphylactic shock and Stevens-Johnson syndrome (SJS). Causal analysis indicated a definitive association in 8.3%, probable in 70% and possible in 22%. Skin lesions were mostly associated with beta-lactams, hepatobiliary disorders with antituberculosis drugs and CNS manifestations with carbapenems. Cutaneous, neurological, and hepatobiliary events appeared at a median of 4, 2.5 and 10.5 days after starting the medication, respectively. AEs were managed with withdrawal of the suspected drug (83.3%) and other auxiliary therapies. AEs were categorized as severe in 22% and one case with SJS had a fatal outcome (1.7%). Preventability analysis revealed 25% of potentially avoidable events. Conclusions: Antimicrobial AE involved a wide diversity of compounds, occurred in different hospitalization units, affected patients of a wide age range and attacked different systems or organs. An important fraction was potentially avoidable.

Antecedentes: Los compuestos antimicrobianos están asociados a una amplia gama de eventos adversos (EA) y algunos de ellos pueden ser potencialmente prevenibles. Objetivos: Caracterizar los EA asociados a compuestos antimicrobianos. Pacientes y Métodos: Análisis retrospectivo de EA reportados al Sistema Nacional de Farmacovigilancia desde 2014 la 2017 en un hospital regional. Se incluyó un análisis de gravedad, causalidad y de posible prevención. Resultados: Se observaron 60 eventos en 56 pacientes de 2 meses a 96 años. Los casos se registraron principalmente en pacientes hospitalizados. Los EA más frecuentes fueron los trastornos de la piel (56,7%), seguidos de los hepatobiliares (13,3%) y del sistema nervioso central (10%). Los hematológicos, renales, respiratorios, gastrointestinales e inmunológicos se registraron con menos frecuencia, incluidos casos con shock anafiláctico y síndrome de Stevens-Johnson (SSJ). El análisis de causalidad indicó una asociación definitiva en 8.3%, probable en 70% y posible en 21.7%. Las lesiones cutáneas se asociaron principalmente a betalactámicos, los trastornos hepatobiliares a fármacos antituberculosos y las manifestaciones del SNC a carbapenémicos. Los eventos cutáneos, neurológicos y hepatobiliares se presentaron en una mediana de 4, 2,5 y 10,5 días después de iniciar el medicamento, respectivamente. Los EA se manejaron con el retiro del fármaco sospechoso (83,3%) y otras terapias auxiliares. Los EA se clasificaron como graves (21,7%) y un caso con SSJ tuvo un desenlace fatal (1,7%). Un 25% de los eventos fue potencialmente evitable. Conclusiones: Los resultados de este trabajo revelan que los AE por antimicrobianos involucran una amplia diversidad de compuestos, ocurren en diferentes unidades de hospitalización, afectan a pacientes de un amplio rango de edad y atacan diferentes sistemas u órganos.

Adverse events associated with antimicrobial compounds in a general hospital in Chile.

BACKGROUND: Antimicrobial compounds are associated with a wide range of adverse events (AE) and some of them can be potentially preventable. AIM: To characterize AE associated with antimicrobial compounds. PATIENTS AND METHODS: Retrospective analysis of AEs reported to the National Pharmacological Surveillance System from 2014 to 2017 in a regional hospital. Severity, causality and preventability were analyzed. RESULTS: Sixty events were observed in 56 patients aged 2 months to 96 years. Cases were registered mostly in hospitalized patients. The most frequent AEs were skin disorders (56.7%), followed by hepatobiliary (13.3%), and CNS events (10%). Blood, kidney, respiratory gastrointestinal and immunological disorders were less frequently registered, including cases with anaphylactic shock and Stevens-Johnson syndrome (SJS). Causal analysis indicated a definitive association in 8.3%, probable in 70% and possible in 22%. Skin lesions were mostly associated with beta-lactams, hepatobiliary disorders with antituberculosis drugs and CNS manifestations with carbapenems. Cutaneous, neurological, and hepatobiliary events appeared at a median of 4, 2.5 and 10.5 days after starting the medication, respectively. AEs were managed with withdrawal of the suspected drug (83.3%) and other auxiliary therapies. AEs were categorized as severe in 22% and one case with SJS had a fatal outcome (1.7%). Preventability analysis revealed 25% of potentially avoidable events. CONCLUSIONS: Antimicrobial AE involved a wide diversity of compounds, occurred in different hospitalization units, affected patients of a wide age range and attacked different systems or organs. An important fraction was potentially avoidable.

Association between postural patterns of spastic upper extremity and functional independence after TBI and stroke.

BACKGROUND: Spastic hypertonia of the upper limb after stroke or traumatic brain injuries (TBI) is a prevalent clinical sign causing abnormal postures and movement patterns due to hyperexcitability of the upper motor neurons and rheological alterations in the affected muscles. These alterations limit the use of the upper limb, restricting its functional activities and affecting the individual's quality of life and social participation. OBJECTIVE: To determine the association between spastic patterns of the upper limb, wrist, fingers and thumb, and independence in everyday activities after a stroke or TBI. METHODS: The design is a cross-sectional descriptive and correlational study. The sample consisted of 206 individuals who complied with the eligibility criteria and signed an informed consent. Clinical evaluation was carried out, including determination of the postural pattern of the upper extremity according to Hefter's taxonomy and postural pattern classification of the wrist, fingers and thumb. Functional independence was evaluated using the Functional Independence Measure (FIM) and the Barthel Index (BI). RESULTS: Univariate between-subject ANOVAs were used to examine associations of the four pattern classifications with the two independence measures, FIM and BI. Results indicate that Pattern I of Hefter's upper limb taxonomy is associated with lesser functional independence according to FIM and BI mean scores. CONCLUSIONS: The postural pattern of the upper limb after TBI or stroke is related to the patient's functional independence. Specifically, Pattern I tends to co-occur with low independence.

Ação educativa para atualização de agentes comunitários de saúde sobre SARS-CoV-2/COVID-19 / Educational action to the training of community health agents about SARS-CoV-2/COVID-19

Objetivo: Relatar a experiência de uma ação educativa em saúde para a atualização de agentes comunitários de saúde sobre SARS-CoV-2/COVID-19. Método: Trata-se de um relato de experiência vivenciado por uma acadêmica do curso de enfermagem que realizou uma ação de educação educativa em saúde para agentes comunitários de saúde. Resultados: A ação educativa em saúde na modalidade virtual, durante a pandemia da COVID-19, constitui uma estratégia de qualificação de saberes e práticas no cenário da atenção básica em saúde para o enfrentamento da COVID-19 e promove a melhoria da qualidade do cuidado em saúde. Conclusão: A ação educativa em saúde por meio tecnologias virtuais mostrou-se como uma possibilidade de ensino aprendizagem significativa e facilita a atuação dos agentes comunitários de saúde junto à comunidade.

Aim: Report to experience of an educational health action in training of community health agents about SARSCoV- 2/COVID-19. Method: It is an experience report lived by a student of the nursing course who carried out an action educational health action for community health agentes. Results: The permanent health education in the virtual modality, during the COVID-19 pandemic, it constitutes a strategy for qualifying knowledge and practices in the scenario of primary health care to face COVID-19 and promotes the improvement of the quality of health care. Conclusion: The permanent health education through virtual technologies proved to be a significant teaching-learning possibility and facilitates the performance of community health agents in the community.

Effects of modified constraint-induced movement therapy in the recovery of upper extremity function affected by a stroke: a single-blind randomized parallel trial-comparing group versus individual intervention.

An extensive corpus of literature supports the positive impact of constraint-induced movement therapy (CIMT) on neuroplasticity and the recovery of function. However, its clinical applicability is limited by the time of intervention and individual modality. We propose to assess the efficacy of modified CIMT protocols through a group therapy intervention. To determine the effectiveness of a group therapy, compared with individual modified CIMT, in increasing the use and functionality of movement of a paretic upper limb. The study was a single-blind, randomized parallel trial. Thirty-six patients who had had a stroke more than 6 months previously were divided randomly into two intervention groups. The independent variable was the implementation of group or individual modalities for 3 h for 10 consecutive days and the dependent variables were evaluated by the Motor Activity Log and Action Research Arm Test, at baseline (preintervention evaluation), end (postintervention evaluation), and 6 months after intervention (follow-up). By controlling the preintervention evaluations, analyses of covariance indicated that both dependent variables presented significant differences in favor of the group therapy at both the postintervention evaluation and the follow-up evaluations. Both types of intervention generated increases in the function and use of the upper extremity, with these increases being higher in the group therapy. The effects of the group therapy modality were maintained 6 months after the intervention ended.

Nanoprecipitation process: From encapsulation to drug delivery.

Drugs encapsulation is a suitable strategy in order to cope with the limitations of conventional dosage forms such as unsuitable bioavailability, stability, taste, and odor. Nanoprecipitation technique has been used in the pharmaceutical and agricultural research as clean alternative for other drug carrier formulations. This technique is based on precipitation mechanism. Polymer precipitation occurs after the addition of a non-solvent to a polymer solution in four steps mechanism: supersaturation, nucleation, growth by condensation, and growth by coagulation that leads to the formation of polymer nanoparticles or aggregates. The scale-up of laboratory-based nanoprecipitation method shows a good reproducibility. In addition, flash nanoprecipitation is a good strategy for industrial scale production of nanoparticles. Nanoprecipitation is usually used for encapsulation of hydrophobic or hydrophilic compounds. Nanoprecipitation was also shown to be a good alternative for the encapsulation of natural compounds. As a whole, process and formulation related parameters in nanoprecipitation technique have critical effect on nanoparticles characteristics. Biodegradable or non-biodegradable polymers have been used for the preparation of nanoparticles intended to in vivo studies. Literature studies have demonstrated the biodistribution of the active loaded nanoparticles in different organs after administration via various routes. In general, in vitro drug release from nanoparticles prepared by nanoprecipitation includes two phases: a first phase of "burst release" which is followed by a second phase of prolonged release. Moreover, many encapsulated active molecules have been commercialized in the pharmaceutical market.

Quantitative Aspect of Leucophyllum frutescens Fraction before and after Encapsulation in Polymeric Nanoparticles.

The interest on plants has been focalized due to their biological activities. Extracts or fractions from plants in biodegradable polymeric nanoparticles (NP) provide many advantages on application studies. The encapsulation of the extract or fraction in NP is determined for the establishment of the test dose. HPLC method is an alternative to calculate this parameter. An analytical method based on HPLC for quantification of a hexane fraction from L. frutescens was developed and validated according to ICH. Different concentrations of the hexane fraction from leaves (HFL) were prepared (100-600 µg/mL). Linearity, limit of detection, limit of quantification, and intra- and interday precision parameters were determined. HFL was encapsulated by nanoprecipitation technique and analyzed by HPLC for quantitative aspect. The method was linear and precise for the quantification of the HFL components. NP size was 190 nm with homogeneous size distribution. Through validation method, it was determined that the encapsulation of components (1), (2), (3), and (4) was 44, 74, 86, and 97%, respectively. A simple, repeatable, and reproducible methodology was developed for the propose of quantifying the components of a vegetable material loaded in NP, using as a model the hexane fraction of L. frutescens leaves.

Experimental and computational studies of fatty acid distribution networks.

Unbalanced uptake of Omega 6/Omega 3 (ω-6/ω-3) ratios could increase chronic disease occurrences, such as inflammation, atherosclerosis, or tumor proliferation, and methylation methods for measuring the ruminal microbiome fatty acid (FA) composition/distribution play a vital role in discovering the contribution of food components to ruminant products (e.g., meat and milk) when pursuing a healthy diet. Hansch's models based on Linear Free Energy Relationships (LFERs) using physicochemical parameters, such as partition coefficients, molar refractivity, and polarizability, as input variables (Vk) are advocated. In this work, a new combined experimental and theoretical strategy was proposed to study the effect of ω-6/ω-3 ratios, FA chemical structure, and other factors over FA distribution networks in the ruminal microbiome. In step 1, experiments were carried out to measure long chain fatty acid (LCFA) profiles in the rumen microbiome (bacterial and protozoan), and volatile fatty acids (VFAs) in fermentation media. In step 2, the proportions and physicochemical parameter values of LCFAs and VFAs were calculated under different boundary conditions (cj) like c1 = acid and/or base methylation treatments, c2 = with/without fermentation, c3 = FA distribution phase (media, bacterial, or protozoan microbiome), etc. In step 3, Perturbation Theory (PT) and LFER ideas were combined to develop a PT-LFER model of a FA distribution network using physicochemical parameters (V(k)), the corresponding Box-Jenkins (ΔV(kj)) and PT operators (ΔΔV(kj)) in statistical analysis. The best PT-LFER model found predicted the effects of perturbations over the FA distribution network with sensitivity, specificity, and accuracy > 80% for 407 655 cases in training + external validation series. In step 4, alternative PT-LFER and PT-NLFER models were tested for training Linear and Non-Linear Artificial Neural Networks (ANNs). PT-NLFER models based on ANNs presented better performance but are more complicated than the PT-LFER model. Last, in step 5, the PT-LFER model based on LDA was used to reconstruct the complex networks of perturbations in the FA distribution and compared the giant components of the observed and predicted networks with random Erdos-Rényi network models. In short, our new PT-LFER model is a useful tool for predicting a distribution network in terms of specific fatty acid distribution.

Model for high-throughput screening of drug immunotoxicity--study of the anti-microbial G1 over peritoneal macrophages using flow cytometry.

Quantitative Structure-Activity (mt-QSAR) techniques may become an important tool for prediction of cytotoxicity and High-throughput Screening (HTS) of drugs to rationalize drug discovery process. In this work, we train and validate by the first time mt-QSAR model using TOPS-MODE approach to calculate drug molecular descriptors and Linear Discriminant Analysis (LDA) function. This model correctly classifies 8258 out of 9000 (Accuracy = 91.76%) multiplexing assay endpoints of 7903 drugs (including both train and validation series). Each endpoint correspond to one out of 1418 assays, 36 molecular and cellular targets, 46 standard type measures, in two possible organisms (human and mouse). After that, we determined experimentally, by the first time, the values of EC50 = 21.58 µg/mL and Cytotoxicity = 23.6% for the anti-microbial/anti-parasite drug G1 over Balb/C mouse peritoneal macrophages using flow cytometry. In addition, the model predicts for G1 only 7 positive endpoints out 1251 cytotoxicity assays (0.56% of probability of cytotoxicity in multiple assays). The results obtained complement the toxicological studies of this important drug. This work adds a new tool to the existing pool of few methods useful for multi-target HTS of ChEMBL and other libraries of compounds towards drug discovery.

Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity.

Entropy measures are universal parameters useful to codify biologically-relevant information in many systems. In our previous work, (Gonzalez-Diaz, H., et al. Chem. Res. Toxicol. 2003, 16, 1318-1327), we introduced the molecular structure information indices called 3D-Markovian electronic delocalization entropies (3D-MEDNEs) to study the quantitative structure-toxicity relationships (QSTR) of drugs. In a second part, (Cruz-Monteagudo, M. et al. Chem. Res. Toxicol., 2008, 21 (3), 619-632), we extended 3D-MEDNEs to numerically encode toxicologically-relevant information present in Mass Spectra of the serum proteome. These works demonstrated that the idea behind classic drug QSTR models can be extended to solve more general problems in toxicological chemical research. For instance, there are not many reports of multi-target QSTR (mt-QSTR) models useful to predict multiplexed endpoints of drugs in a high number of cytotoxicity assays. In this work, we train and validate for the first time a QSTR model that correctly classifies 8,806 out of 9,001 (Accuracy = 91.1%) multiplexing assay endpoints of 7903 drugs (including both training and validation series). Each endpoint corresponds to one out of 1443 assays, 32 molecular and cellular targets, 46 standard type measures, in two possible organisms (human and mouse). We have also determined experimentally, for the first time, the values of EC50 = 8.21 µg/mL and Cytotoxicity = 26.25 % for the antimicrobial / antiparasitic drug G1 on Balb/C mouse thymic macrophages using flow cytometry. In addition, we have used the new model to predict G1 endpoints in 1,283 assays finding a low average probability of p(1) = 0.50% in 152 cytotoxicity assays. Last, we have used the model to predict average probability of the interaction of G1 with different proteins in macrophages. Interestingly, the Macrophage colony-stimulating factor receptor, the Macrophage colony-stimulating factor 1 receptor, the Macrophage migration inhibitory factor, Macrophage scavenger receptor types I and II, and the Macrophage-stimulating protein receptor, have also very low average predicted probabilities of p(1) = 0.092, 0.038, 0.077, 0.026, 0.2, 0.106, respectively. Both experimental and theoretical results show a moderate thymic macrophage cytotoxicity of G1. The obtained results are significant because they complement the immunotoxicology studies of this important drug.

Bienestar psicológico, salud general, autonomía percibida y lesiones en futbolistas / Psychological well being, general health perceived autonomy and injuries in soccer players

Dada la preocupación por la práctica deportiva de forma saludable, el objetivo de este estudio es estudiar el nivel de bienestar psicológico eudaimónico (Ryff, 1989ª) y de salud general y emocional, y de averiguar su relación con la autonomía percibida y sus historiales de lesiones deportivas en una población de 85 futbolistas de competición de México. Se ha utilizado la Escala de Bienestar Psicológico, (EBP, Díaz et al., 2006); la Escala de Autonomía Percibida en el Deporte (Balaguer, Castillo y Duda, 2008); la versión española (Sánchez y Dresch, 2008) del 12-item General Health Questionnaire (GHQ-12, Goldberg y Hillier, 1979), y sus historiales de lesiones (antecedentes y consecuentes) se evaluaron mediante un cuestionario ad hoc derivado del Modelo Global Psicológico de Lesiones Deportivas (Olmedilla y Garcia-Mas, 2009). Los resultados muestran que los futbolistas tienen una mala percepción de salud general y emocional, pero poseen buenos niveles de bienestar psicológico en relación con la autonomía percibida. El número de lesiones -no su duración- se relaciona con la mala percepción de salud general y emocional a la vez que lo hace negativamente con el aspecto volitivo de la autonomía percibida. Los futbolista percibensus lesiones relacionadas con antecedentes psicológicos de estrés y ansiedad competitiva (AU)

Given the concern with the practice of healthy sport activities, the aim of this study is to find what levels of eudaimonic psychological well-being (Ryff, 1989a) and general health, related with their perceived autonomy, and their record of sports injuries in 85 football players in Mexico. We used the Escala de Bienestar Psicológico, EBP, Díaz et al., 2006 to measure psychological well-being. Perceived autonomy was assessed by the Escala de Autonomía Percibida en el Deporte (Balaguer, Castillo and Duda, 2008) and general and emotional health by the Spanish version (Sánchez and Dresch, 2008) of the 12-item General Health Questionnaire (GHQ-12, Goldberg and Hillier, 1979). Also, records of injuries were assessed using an ad hoc questionnaire derived from the Global psychological model of sports injuries (Olmedilla and Garcia-Mas, 2009). The results show that players have a bad perception of general and emotional health, but have good levels of psychological well-being in relation to their perceived autonomy. The number of injuries -not their duration- is related to their poor perception of general and emotional health while it is negatively related to the volitional aspect of perceived autonomy. Their injuries are seen to be frequently associated with pre-competitive anxiety and stress (AU)

Immunotoxicity, flow cytometry, and chemoinformatics: review, bibliometric analysis, and new QSAR model of drug effects over macrophages.

Bibliometric methods for analyzing and describing research output have been supported internationally by the establishment and operation of organizations such as the Institute for Scientific Information (ISI) or Scimago Ranking Institutions (SRI). This study provides an overview of the research performance of major World countries in the field cytokines, Citometric bead assays and QSAR, the most important journals in which they published their research articles, and the most important academic institutions publishing them. The analysis was based on Thomson Scientific's Web of Science (WoS), and Scimago group calculated bibliometric indicators of publication activity and actual citation impact. Studying the time period 2005-2010, and shows the visibility of Medicinal Chemistry Bioorganic in this thematic noting that the visibility of a journal must take into account not only the impact factor, but the prestige, popularity and representativeness of the theme that addresses the same making a comprehensive assessment of bibliometric indicators.

ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen.

Multiplexed biological assays provide multiple measurements of cellular parameters in the same test. In this work, we have trained and tested an Artificial Neural Network (ANN) model for the first time, in order to perform a multiplexing prediction of drugs effect on macrophage populations. In so doing, we have used the TOPS-MODE approach to calculate drug molecular descriptors and the software STATISTICA to seek different ANN models such as: Linear Neural Network (LNN), Radial Basis Function (RBF), Probabilistic Neural Networks (PNN) and Multi-Layer Perceptrons (MLP). The best model found was the LNN, which correctly classified 8258 out of 9000 (Accuracy = 93.0%) multiplexing assay endpoints of 7903 drugs (including both training and test series). Each endpoint corresponds to one out of 1418 assays, 36 molecular or cellular targets, 46 standard type measures, in two possible organisms (human and mouse). Secondly, we have determined experimentally, for the first time, the values of EC(50) = 11.41 µg/mL and Cytotoxicity = 27.1% for the drug G1 over Balb/C mouse spleen macrophages using flow cytometry. In addition, we have used the LNN model to predict the G1 activity in 1265 multiplexing assays not measured experimentally (including 152 cytotoxicity assay endpoints). Both experimental and theoretical results point out a low macrophage cytotoxicity of G1. This work breaks new ground for the 'in silico' multiplexing screening of large libraries of compounds. The results obtained are very significant because they complement the immunotoxicology studies of this important anti-microbial/anti-parasite drug.

Un nuevo modelo de cooperación deportiva y su evaluación mediante un cuestionario / A new model of sportive cooperation and its evaluation by means a questionnaire

La cooperación interpersonal deportiva se presenta como una teoría explicativa de la dinámica interna de los equipos deportivos distinta a las teorías actualmente en vigor, especialmente la cohesión deportiva. La cooperación se sustenta en dos bases: 1) la concepción racional y utilitarista, derivada de la interacción e interdependencia interna, de las tomas de decisiones personales en cuanto a cooperar o no con el objetivo del equipo; y 2) la disposición personal a demostrar conductas cooperativas sin esperar nada a cambio. A partir de este marco teórico se ha llevado a cabo la construcción en tres fases de un cuestionario para evaluar la cooperación en la situación deportiva. En la última versión de 15 reactivos, con características psicométricas estandarizadas, se ha podido demostrar la existencia de dos factores disposicionales (Cooperación condicionada y Cooperación incondicionada) y tres factores situacionales (Cooperación con el entrenador, con los Compañeros de equipo y Fuera del campo de juego). Finalmente, se discute el significado de este marco teórico respecto de la dinámica de los equipos deportivos, así como su relevancia en el campo aplicado, tanto en al evaluación como en la aplicación e intervención

We present in this paper the sportive cooperation as a theoretical framework for the teams’ dynamics, and as an alternative to others theories, specially the sportive cohesion. This theory has a double basis: 1) The rational and utilitarist decision taking upon the personal cooperation or not, with the team’s goal, based on the internal teammates interaction, and the environmental stimuli; and 2) A personal, and more stable, disposition to cooperate, despite the possibility of obtain any counterparts for this behavior. From this framework, we have build -in a three phase process- a questionnaire adressed to evaluate the sportive cooperation. The final version -composed of 15 items with standard psychometric propierties- shows two kinds of factors. First, we have two dispositional, traitlike, factors: The Conditional cooperation, and the Unconditional cooperation. Second, we have three situational factors: the Cooperation with the Coach, with the teammates, and the Cooperation outside the game and the training. Lastly, we discuss the maining of this theory respect to the sportive team’s dynamics, and its relevance for the applied psychology, both for the evaluation and the interventions on the teams

[A new model of sportive cooperation and its evaluation by means a questionnaire]. / Un nuevo modelo de cooperación deportiva y su evaluación mediante un cuestionario.

We present in this paper the sportive cooperation as a theoretical framework for the teams' dynamics, and as an alternative to others theories, specially the sportive cohesion. This theory has a double basis: 1) The rational and utilitarist decision taking upon the personal cooperation or not, with the team's goal, based on the internal teammates interaction, and the environmental stimuli; and 2) A personal, and more stable, disposition to cooperate, despite the possibility of obtain any counterparts for this behavior. From this framework, we have build--in a three phase process--a questionnaire addressed to evaluate the sportive cooperation. The final version--composed of 15 items with standard psychometric propierties--shows two kinds of factors. First, we have two dispositional, traitlike, factors: The Conditional cooperation, and the Unconditional cooperation. Second, we have three situational factors: the Cooperation with the Coach, with the teammates, and the Cooperation outside the game and the training. Lastly, we discuss the maining of this theory respect to the sportive team's dynamics, and its relevance for the applied psychology, both for the evaluation and the interventions on the teams.