Estradiol-Induced Epithelial to Mesenchymal Transition and Migration Are Inhibited by Blocking c-Src Kinase in Breast Cancer Cell Lines.

PURPOSE: The epithelial-to-mesenchymal transition (EMT) is the main event that favors cell migration and metastasis in breast cancer. Previously, we demonstrated that 1 nM estradiol (E2) promotes EMT, induced by c-Src kinase, causing changes in the localization of proteins that compose the tight junction (TJ) and adherens junction (AJ). METHODS: The present work highlights the central role of c-Src in the initiation of metastasis, induced by E2, through increasing the ability of MCF-7 and T47-D cells, which express estrogen receptor alpha (ERα), to migrate and invade before they become metastatic. RESULTS: Treatment with E2 can activate two signaling pathways, the first one by the phosphorylated c-Src (p-Src) which forms the p-Src/E-cadherin complex. This phenomenon was completely prevented by incubation with a selective inhibitor of c-Src (5 µM PP2). p-Src then promotes the downregulation of E-cadherin and occludin, which are epithelial phenotype marker proteins of the AJ and TJ, respectively. In the second pathway, E2 binds to ERα, creating a complex that translocates to the nucleus, inducing the synthesis of SNAIL1 and N-cadherin proteins, markers of the mesenchymal phenotype. Both processes increased the migratory and invasive capacities of both cell lines. CONCLUSION: The present study demonstrate that E2 enhance EMT and migration, through c-Src activation, in human breast cancer cells that express ERα and become potential therapeutic targets.

Epidemiology of adult patients with atopic dermatitis in AWARE 1: A second international survey.

Background: There are gaps in our understanding of the epidemiology of atopic dermatitis (AD) in adults. Objective: To evaluate the prevalence and severity of AD in adults from countries/regions within Asia, Eurasia, Latin America, Middle East, and Russia. Methods: This international, web-based survey was performed in Argentina, Brazil, China, Colombia, Egypt, Hong Kong, Israel, Malaysia, Mexico, Russia, Kingdom of Saudi Arabia (KSA), Singapore, Taiwan, Thailand, Turkey, and United Arab Emirates. Questionnaires were sent to adult members of online respondent panels for determination of AD and assessment of severity. A diagnosis of AD required respondents to meet the modified United Kingdom (UK) Working Party criteria and to self-report they had a physician diagnosis of AD. Severity of AD was determined using Patient-Oriented Scoring of Atopic Dermatitis (PO-SCORAD), Patient-Oriented Eczema Measure (POEM), and Patient Global Assessment (PGA). Results: Among respondents by country/region the prevalence of AD ranged from 3.4% in Israel to 33.7% in Thailand. The prevalence was generally higher in females versus males. Severity varied by scale, although regardless of scale the proportion of respondents with mild and moderate disease was higher than severe disease. PGA consistently resulted in the lowest proportion of severe AD (range 2.4% China - 10.8% Turkey) relative to PO-SCORAD (range 13.4% China - 41.6% KSA) and POEM (range 5.1% China - 16.6% Israel). Conclusions: This survey highlights the importance of AD in adults, with high prevalence and high morbidity among respondents and emphasizes that AD is not just a disease of childhood-there is disease persistence and chronicity in adults.

[Guidelines on atopic dermatitis for Mexico (GUIDAMEX): using the ADAPTE methodology]. / Guía de dermatitis atópica para México (GUIDAMEX): lineamientos usando metodología ADAPTE.

With the advancement of knowledge in relation to the physiopathogenesis of atopic dermatitis (AD), several new therapeutic forms have been developed. There are also new guidelines for self-care. On the other hand, there is still an underdiagnosis of AD in Mexico. Thus, the need was seen to develop a national guide, with a broad base among the different medical groups that care for patients with AD. The Atopic Dermatitis Guidelines for Mexico (GUIDAMEX) was developed with the ADAPTE methodology, with the endorsement and participation of ten national medical societies, from physicians in Primary Healthcare to allergists and dermatologists. Throughout the manuscript, key clinical questions are answered that lead to recommendations and suggestions for the diagnosis of AD (including differential diagnosis with immunodeficiency syndromes), the recognition of comorbidities and complications, non-pharmacological treatment including therapeutic education, treatment of flares and maintenance therapy. The latter encompasses general measures to avoid triggering factors, first-line treatment focussed on repair of the skin barrier, second-line treatment (topical proactive therapy), and third-line phototherapy or systemic treatment, including dupilumab and JAK inhibitors.

Con el avance de los conocimientos en relación con la fisiopatogenia de la dermatitis atópica (DA) se han desarrollado varias formas terapéuticas nuevas. Asimismo, existen nuevos lineamientos para el autocuidado. Por otro lado, aún existe un subdiagnóstico de la DA en México. Así, se vio la necesidad de desarrollar una guía nacional, con base amplia entre las diferentes agrupaciones médicos que atienden pacientes con DA. Se desarrolló la Guía de DA para México (GUIDAMEX) con la metodología ADAPTE, con el aval y la participación de diez sociedades médicas nacionales, desde médicos del primer contacto hasta alergólogos y dermatólogos. A lo largo del escrito se contestan preguntas clínicas clave que llevan a recomendaciones y sugerencias para el diagnóstico de la DA (incluyendo diagnóstico diferencial con síndromes de inmunodeficiencia), el reconocer de las comorbilidades y complicaciones, las medidas generales (tratamiento no farmacológico) incluyendo la educación terapéutica, el tratamiento de los brotes y el tratamiento de mantenimiento. Este último abarca las medidas generales de evitar agravantes, el tratamiento de primera línea reparador de la barrera cutánea, de segunda línea (manejo proactivo tópico), hasta la fototerapia y el tratamiento sistémico de la tercera línea, incluyendo dupilumab y los inhibidores de la cinasa de Jano.

Rotational and translational microrheology from shape-anisotropic particles.

In this work, we report measurements of the mean squared angular and translational displacements of a colloidal dumbbell immersed in a viscoelastic fluid using digital microscopy. From the mean squared displacements, we obtain the mechanical properties of the media. Both angular and translational motions provide the same viscoelastic complex modulus and agree with that obtained from the translational motion of a spherical probe particle.

Obsesión por la delgadez y la musculatura en mujeres, un estudio transcultural: Comparación entre Chile y España

RESUMEN Es cada vez más frecuente la exposición de los adultos emergentes a prácticas socioculturales que afectan su salud mental, cumpliendo un papel importante en la manifestación de la obsesión por la delgadez y la musculatura. Por ello, el propósito del estudio fue comparar la obsesión por la delgadez y la musculatura entre mujeres adultas emergentes universitarias de Chile y España respecto a factores socio-culturales, satisfacción corporal y variables psicológicas vinculadas a la imagen corporal. De esta forma, la presente investigación se realizó desde un enfoque cuantitativo, con un diseño no experimental transversal, de alcance correlacional, con una muestra compuesta por 230 participantes (n chilenas= 155; n españolas= 75). Los resultados evidenciaron una diferencia significativa entre ambos grupos en la obsesión por la musculatura, siendo mayor en España. El modelo predictivo de obsesión por la delgadez estuvo compuesto por las variables de perfeccionismo, satisfacción corporal en forma negativa, presión social de la familia, de los medios de comunicación y nacionalidad española, explicando así el 45% de la varianza, mientras que el modelo explicativo para obsesión por la musculatura permite predecir un 16% de su varianza a partir de la nacionalidad española, la obsesión por la delgadez, la presión social de la familia y la actividad física regular. Finalmente, se plantea la necesidad de fomentar indagaciones futuras y profundizar más en las temáticas que permitan prevenir en las jóvenes mujeres con mayor riesgo de padecer alguna de estas problemáticas.

ABSTRACT Exposure of emerging adults to sociocultural practices that affect their mental health is more and more frequent, playing an important role in the manifestation of a drive for thinness and muscularity. The purpose of the study was to compare the drive for thinness and drive for muscularity, among emerging adult university women from Chile and Spain. We evaluated socio-cultural factors, body satisfaction and psychological variables linked to body image using a quantitative approach, with a non-experimental cross-sectional design. We used a correlational-causal scope, with a sample of 230 participants (n Chileans= 155; n Spanish= 75). The results evidenced a significant difference between the two groups in drive for muscularity, being higher in Spain. The predictive model of drive for thinness was made up of the variables of perfectionism, negative body satisfaction, social pressure from the family, the media and Spanish nationality, explaining 45% of the variance. The model for drive for muscularity predicted 16% of the variance based on Spanish nationality, drive for thinness, social pressure from the family and regular physical activity. Finally, there is a need to encourage future inquiries and delve deeper into the issues that allow young women at higher risk of suffering from any of these problems to be prevented.

[Clinical characteristics of a population with atopic dermatitis in a tertiary center]. / Características clínicas de una población con dermatitis atópica en un centro de tercer nivel.

BACKGROUND: Information about the clinical and epidemiological characteristics of atopic dermatitis (AD) is essential to generate knowledge of the disease and its socioeconomic impact. OBJECTIVE: To describe the clinical characteristics of the patients of an atopic dermatitis clinic. METHODS: An observational, retrospective, and cross-sectional study. Demographic data, severity of the AD (according to the Eczema Area Severity Index), clinical phenotype, total serum IgE, the presence of allergic and non-allergic comorbidities, as well as of anxiety and depression, were recorded by means of targeted questionnaire and Hamilton Scale. Descriptive and inferential statistics were obtained, considering a statistical significance associated with a value of p <0.05. RESULTS: 187 patients were included; the median age was 12 years with a range of 1-87 years. Differences were found regarding sex and severity (p < 0.05). Mild forms of AD were presented in 57.8% of the patients, moderate forms in 20.9%, and severe forms in 21.4%. The severity was associated with allergic comorbidities such as asthma (p = 0.001) and allergic conjunctivitis (p <0.001). Severe AD was associated with a state of anxiety and depression (p <0.05), as well as with ocular affectation (p<0.001). CONCLUSION: The pediatric population is the most affected by AD; however, in the adult population, the severe form associated with allergic comorbidities is observed.

Antecedentes: Los datos sobre características clínicas y epidemiológicas de la dermatitis atópica son fundamentales para generar conocimiento sobre la enfermedad y su impacto socioeconómico. Objetivo: Describir las características clínicas de los pacientes de una clínica de dermatitis atópica. Métodos: Estudio observacional, retrospectivo y transversal. Se registraron datos demográficos, gravedad de la dermatitis atópica (según el Eczema Area Severity Index), fenotipo clínico, IgE sérica total, presencia de comorbilidades alérgicas y no alérgicas, así como de ansiedad y depresión mediante interrogatorio dirigido y escala de Hamilton. Se realizó estadística descriptiva e inferencial, considerando una significación estadística con p < 0.05. Resultados: Se incluyeron 187 pacientes, la edad tuvo una mediana de 12 años, con un rango de uno a 87 años. Se encontraron diferencias respecto al sexo y gravedad (p < 0.05). La dermatitis atópica leve se presentó en 57.8 %, la moderada en 20.9 % y la grave en 21.4 %. La gravedad estuvo asociada a comorbilidades alérgicas como asma (p = 0.001) y conjuntivitis alérgica (p < 0.001). La dermatitis atópica grave se asoció a ansiedad y depresión (p < 0.05), así como afectación ocular (p < 0.001). Conclusión: Lo población pediátrica es la más afectada por dermatitis atópica, pero en los adultos se observa la forma grave asociada a comorbilidades alérgicas.

Análisis modal de fallos y efectos y análisis de minimización de costes de tres programas de entrega de medicamentos / Healthcare failure mode and effects analysis and cost minimization analysis of three pharmaceutical services

Objetivo: El objetivo principal fue evaluar y comparar tres programasde entrega de medicamentos requeridos por los pacientes atendidosen las consultas externas de farmacia hospitalaria: mediante centros desalud, empresa de mensajería externa y oficinas de farmacia. El objetivosecundario fue analizar el coste económico desde la perspectiva delsistema público de salud.Método: Se utilizó el análisis modal de fallos y efectos para el objetivoprincipal. El análisis económico se realizó mediante un estudio de minimización de costes.Resultados: Los resultados en índice de probabilidad de riesgo fueron184 puntos para la entrega mediante centros de salud, 170 mediantemensajería y 126 mediante oficina de farmacia. El estudio económicomostró que actualmente el programa con menor coste económico fue ladispensación mediante oficina de farmacia respecto a mensajería y centros de salud (7.986,52 € versus 18.434,52 € y 11.417,08 €).Conclusiones: La entrega mediante oficina de farmacia tiene el menoríndice de probabilidad de riesgo debido en gran parte al papel delfarmacéutico en la custodia y conservación del medicamento. (AU)

Objective: The main purpose of this study was to analyze and comparethree different medication delivery methods used by the outpatient careunit of a hospital pharmacy, namely health center collection, communitypharmacy collection and home delivery. The secondary purpose was tocompare the economic cost of those methods for the Spanish health service.Method: A failure mode and effects analysis was carried out to attain theprimary objective. For the secondary objective, an in-depth analysis wasperformed of the economic costs associated with each program using acost-minimization analysis.Results: The failure mode and effects analysis resulted in scores of184, 170 and 126 points for the health center collection, home deliveryand community pharmacy collection programs, respectively. The economic evaluation, for its part, rendered estimated costs of €18,434.52,€11,417.08 and €7,986.52 for home delivery, health center collectionand community pharmacy collection services, respectively.Conclusions: The results of the study indicated that collection at the community pharmacy was the program associated to the lowest risk, most likely dueto the crucial role of the pharmacist regarding the custody and preservation of medicines. (AU)

Healthcare failure mode and effects analysis and cost­minimization analysis of three pharmaceutical services.

OBJECTIVE: The main purpose of this study was to analyze and compare three different medication delivery methods used by the outpatient care unit of a hospital pharmacy, namely health center collection, community pharmacy collection and home delivery. The secondary purpose was to compare the economic cost of those methods for the Spanish health service. METHOD: A failure mode and effects analysis was carried out to attain the primary objective. For the secondary objective, an in-depth analysis  was performed of the economic costs associated with each program using  a cost-minimization analysis. RESULTS: The failure mode and effects analysis resulted in scores of 184, 170 and 126 points for the health center collection, home delivery and community pharmacy collection programs, respectively. The economic evaluation, for its part, rendered estimated costs of €18,434.52, €11,417.08 and €7,986.52 for home delivery, health center collection and community pharmacy collection services, respectively. CONCLUSIONS: The results of the study indicated that collection at the community pharmacy was the program associated to the lowest risk, most likely due to the crucial role of the pharmacist regarding the custody and preservation of medicines. As regards cost, dispensation at the community pharmacy was also associated with the lowest cost. Nevertheless, this finding was biased by the fact that, given the generous collaboration of pharmaceutical distributors during the COVID-19 pandemic, the cost of transport and delivery to the pharmacy during the study period was zero. Further economic analyses are required to evaluate the costs of community pharmacy delivery and determine their impact on the public health system in cases where transport costs are different from zero.

Objetivo: El objetivo principal fue evaluar y comparar tres programas de entrega de medicamentos requeridos por los pacientes atendidos en las  consultas externas de farmacia hospitalaria: mediante centros de salud,  empresa de mensajería externa y oficinas de farmacia. El objetivo secundario fue analizar el coste económico desde la perspectiva  del sistema público de salud.Método: Se utilizó el análisis modal de fallos y efectos para el objetivo principal. El análisis económico se realizó mediante un estudio de minimización de costes.Resultados: Los resultados en índice de probabilidad de riesgo fueron 184 puntos para la entrega mediante centros de salud, 170 mediante mensajería y 126 mediante oficina de farmacia. El estudio económico mostró que actualmente el programa con menor coste económico fue la dispensación mediante oficina de farmacia respecto a mensajería y centros de salud (7.986,52 € versus 18.434,52 € y 11.417,08 €).Conclusiones: La entrega mediante oficina de farmacia tiene el menor índice de probabilidad de riesgo debido en gran parte al papel del farmacéutico en la custodia y conservación del medicamento. Respecto al estudio económico, también la dispensación mediante oficina de farmacia obtuvo el menor coste pero con una importante limitación: fue asignado un coste cero relativo a la empresa distribuidora y a la entrega del medicamento en las oficinas de farmacia por la colaboración altruista durante la pandemia. Si el coste fuese distinto de cero, serán necesarios nuevos estudios para evaluar el impacto económico el sistema público de salud.

Residential curbside waste collection programs design: A multicriteria and participatory approach using choosing by advantages.

Policy making involves translating political visions into programs that seek to change a social behavior. To design these programs, decision makers must consider multiple aspects to achieve sustainable solutions. Furthermore, decision makers must manage interrelated information and preferences of different stakeholders to ensure the policy suits the community and accomplishes its goals. This research provides evidence of the applicability of the Choosing by Advantages (CBA) decision system to make environmental public policies, in particular to design a waste collection program for a city in Canada. The methodology is based on a case study where CBA was used to choose the recycling, organics, and PAYT (Pay as you throw) utility components of the program. To analyze the process, researchers measured decision makers' perceptions of levels of satisfaction or frustration during the program-design process by conducting surveys with decision-makers at different stages in time. The research also measured decision-makers' preference for applying CBA over traditional practices where no formal decision-making method is used, in terms of (1) reaching consensus and transparency, (2) making complex decisions, and (3) making faster decisions. The results show that CBA helped to include multiple aspects in designing for sustainability, and to consider the municipality and community preferences into the program. The study also evidenced that satisfaction levels increased as the process progressed. Finally, 75% of decision makers reported preference for CBA regarding reaching consensus and transparency, while this preference was milder (55%) regarding making complex decisions, and the opposite (27%) regarding making faster decisions.

Electroswitching of the single-molecule magnet behaviour in an octahedral spin crossover cobalt(ii) complex with a redox-active pyridinediimine ligand.

Thermal-assisted spin crossover and field-induced slow magnetic relaxation coexist in the solid state for the mononuclear cobalt(ii) complex with the non-innocent 2,6-bis(N-4-methoxyphenylformimidoyl)pyridine ligand. One-electron oxidation of the paramagnetic low-spin CoII ion (SCo = 1/2) to the diamagnetic low-spin CoIII ion (SCo = 0) leads to the electroswitching of the slow magnetic relaxation in acetonitrile solution.

Multi-institutional experience of genetic diagnosis in Ecuador: National registry of chromosome alterations and polymorphisms.

BACKGROUND: Detection of chromosomal abnormalities is crucial in various medical areas; to diagnose birth defects, genetic disorders, and infertility, among other complex phenotypes, in individuals across a wide range of ages. Hence, the present study wants to contribute to the knowledge of type and frequency of chromosomal alterations and polymorphisms in Ecuador. METHODS: Cytogenetic registers from different Ecuadorian provinces have been merged and analyzed to construct an open-access national registry of chromosome alterations and polymorphisms. RESULTS: Of 28,806 karyotypes analyzed, 6,008 (20.9%) exhibited alterations. Down syndrome was the most frequent autosome alteration (88.28%), followed by Turner syndrome (60.50%), a gonosome aneuploidy. A recurrent high percentage of Down syndrome mosaicism (7.45%) reported here, as well as by previous Ecuadorian preliminary registries, could be associated with geographic location and admixed ancestral composition. Translocations (2.46%) and polymorphisms (7.84%) were not as numerous as autosomopathies (64.33%) and gonosomopathies (25.37%). Complementary to conventional cytogenetics tests, molecular tools have allowed identification of submicroscopic alterations regions or candidate genes which can be possibly implicated in patients' symptoms and phenotypes. CONCLUSION: The Ecuadorian National Registry of Chromosome Alterations and Polymorphisms provides a baseline to better understand chromosomal abnormalities in Ecuador and therefore their clinical management and awareness. This data will guide public policy makers to promote and financially support cytogenetic and genetic testing.

Clinical relevance of monitoring serum adalimumab levels in axial spondyloarthritis.

Our aim was to assess the relationship between serum adalimumab levels, anti-drug antibodies (ADA) and disease activity in patients with axial spondylarthritis (SpA). We have carried out a single-centre cross-sectional study. adalimumab and ADA levels were analysed with ELISA and correlated with SpA activity using BASDAI and ASDAS scores. Adalimumab cut-off value was calculated to discriminate inactive disease/low disease activity (BASDAI < 4; ASDAS < 2.1) from moderate/high disease activity (BASDAI ≥ 4; ASDAS ≥ 2.1), using a receiver operating characteristic (ROC) curve. Up to January 2016, 51 consecutive patients were included. The median (range) age was 46.6 (18-68) and 47.1% were women. ADA prevalence was 27.5%, with none detected in the 21.6% receiving concomitant disease-modifying antirheumatic drugs (DMARDs) (p = 0.021). Adalimumab level was normal (> 3 mg/l) in 36 patients (70.6%), all without ADA. Fifteen patients (29.4%) had subtherapeutic adalimumab levels (< 3 mg/l), with ADA in 14 (93%). Median adalimumab (mg/l) was significantly higher in patients with inactive disease/low disease activity: BASDAI < 4 vs ≥ 4: 9.5 vs 2.6 (p < 0.01); ASDAS-CRP < 2.1 vs ≥ 2.1: 9.3 vs 0.3 (p < 0.001); ASDAS-ESR < 2.1 vs ≥ 2.1: 9.9 vs 3.0 (p < 0.001), and this finding was consistent with the result of the multivariate model. Patients with inactive disease/low disease activity presented significantly lower ADA levels. The adalimumab level cut-offs and area under the curve (AUC) obtained in the ROC curves were: ASDAS-CRP (< 2.1) 4.6 mg/l (AUC 81.2%; 95% CI 67.5-94.9; p < 0.001); ASDAS-ESR (< 2.1) 7.7 mg/l (AUC 82.4%; 95% CI 69.3-95.5; p < 0.001); BASDAI (< 4) 6.4 mg/l (AUC 73.5%; 95% CI 58.6-88.3; p < 0.01). In conclusion, presence of ADA in axial SpA patients treated with adalimumab was associated with lower serum drug levels. ADA levels were lower and adalimumab levels were higher in patients with inactive disease/low disease activity based on BASDAI and ASDAS indices. Concomitant treatment with MTX reduces de likelihood of finding ADA. Serum adalimumab levels above 4.6 mg/l are recommended to avoid compromising efficacy.

Application of a Pillared-Layer Zn-Triazolate Metal-Organic Framework in the Dispersive Miniaturized Solid-Phase Extraction of Personal Care Products from Wastewater Samples.

The pillared-layer Zn-triazolate metal-organic framework (CIM-81) was synthesized, characterized, and used for the first time as a sorbent in a dispersive micro-solid phase extraction method. The method involves the determination of a variety of personal care products in wastewaters, including four preservatives, four UV-filters, and one disinfectant, in combination with ultra-high performance liquid chromatography and UV detection. The CIM-81 MOF, constructed with an interesting mixed-ligand synthetic strategy, demonstrated a better extraction performance than other widely used MOFs in D-µSPE such as UiO-66, HKUST-1, and MIL-53(Al). The optimization of the method included a screening design followed by a Doehlert design. Optimum conditions required 10 mg of CIM-81 MOF in 10 mL of the aqueous sample at a pH of 5, 1 min of agitation by vortex and 3 min of centrifugation in the extraction step; and 1.2 mL of methanol and 4 min of vortex in the desorption step, followed by filtration, evaporation and reconstitution with 100 µL of the initial chromatographic mobile phase. The entire D-µSPE-UHPLC-UV method presented limits of detection down to 0.5 ng·mL-1; intra-day and inter-day precision values for the lowest concentration level (15 ng·mL-1)-as a relative standard deviation (in %)-lower than 8.7 and 13%, respectively; average relative recovery values of 115%; and enrichment factors ranging from ~3.6 to ~34. The reuse of the CIM-81 material was assessed not only in terms of maintaining the analytical performance but also in terms of its crystalline stability.

Influence of Ligand Functionalization of UiO-66-Based Metal-Organic Frameworks When Used as Sorbents in Dispersive Solid-Phase Analytical Microextraction for Different Aqueous Organic Pollutants.

Four metal-organic frameworks (MOFs), specifically UiO-66, UiO-66-NH2, UiO-66-NO2, and MIL-53(Al), were synthesized, characterized, and used as sorbents in a dispersive micro-solid phase extraction (D-µSPE) method for the determination of nine pollutants of different nature, including drugs, phenols, polycyclic aromatic hydrocarbons, and personal care products in environmental waters. The D-µSPE method, using these MOFs as sorbents and in combination with high-performance liquid chromatography (HPLC) and diode-array detection (DAD), was optimized. The optimization study pointed out to UiO-66-NO2 as the best MOF to use in the multi-component determination. Furthermore, the utilization of isoreticular MOFs based on UiO-66 with the same topology but different functional groups, and MIL-53(Al) to compare with, allowed us for the first time to evaluate the influence of such functionalization of the ligand with regards to the efficiency of the D-µSPE-HPLC-DAD method. Optimum conditions included: 20 mg of UiO-66-NO2 MOF in 20 mL of the aqueous sample, 3 min of agitation by vortex and 5 min of centrifugation, followed by the use of only 500 µL of acetonitrile as desorption solvent (once the MOF containing analytes was separated), 5 min of vortex and 5 min of centrifugation. The validation of the D-µSPE-HPLC-DAD method showed limits of detection down to 1.5 ng·L-1, average relative recoveries of 107% for a spiked level of 1.50 µg·L-1, and inter-day precision values with relative standard deviations lower than 14%, for the group of pollutants considered.

Massive replica exchange Monte Carlo algorithm: a tool to access high pressure thermodynamics of hard systems.

We have explored the idea of producing the equilibrium equation of state, i.e. the pressure as a function of packing fraction, ßP(φ), of a confined system up to very high pressures to yield the configuration that leads to the maximum packing fraction. For this purpose we have massively implemented the replica exchange Monte Carlo algorithm in graphics processing units (GPUs), in such a way that each GPU core handles a single simulation cell. This yields a very easy scheme to implement parallelization for a very large amount of replicas (thousands), which densely sample configuration space. We have tested this idea with a very well studied system, i.e. discs confined in a circular cavity, for a number of particles N ≤ 125. In all cases, our outcomes for configurations having maximum packing fractions are in perfect agreement with those already reported and conjectured optimal in the literature, for which there is no formal mathematical proof, strongly suggesting that they are indeed optimal configurations. Furthermore, in most cases, we have obtained the same function ßP(φ), by compressing loose random configurations and by decompressing copies of the configuration having the largest packing fraction. This reveals numerically that the so obtained maximum packing configurations are the correct answer.

[Mexican consensus on the diagnosis and treatment of atopic dermatitis in adolescents and adults]. / Consenso mexicano para el diagnóstico y tratamiento de la dermatitis atópica en adolescentes y adultos.

BACKGROUND: The diagnostic approaches and therapeutic strategies of atopic dermatitis (AD) are generally inconsistent among physicians and health institutions. OBJECTIVE: To develop a consensus statement among experts to reduce the variations in practice regarding the diagnosis and treatment of patients ≥ 12 years with AD to improve their care. METHODS: Systematic literature search in PubMed and GREAT. With methodological support and using the Delphi method, a formal consensus was developed among 16 experts in Dermatology and Allergology, based on the current evidence and its applicability in the Mexican context. Apart from intense electronic communication, several issues of disagreement were discussed in two face-to-face meetings. RESULTS: The clinical experts reached consensus on 46 statements related to the definition, classification, diagnostic strategies and treatment of AD. For the diagnosis we suggest the Williams criteria and for severity scoring the SCORAD (by the doctor) and POEM (by the patient). In addition to general care and treatment education (workshops), we suggest four steps for treatment, depending on severity: 1. Topical treatment with anti-inflammatory agents (and systemic: antihistamines/antileukotrienes -low level evidence-) 2. Phototherapy, 3. Cyclosporin A and 4. Dupilumab, with the possibility of managing this biological earlier on if a fast effect is needed. In extrinsic AD we suggest evaluating the addition of allergen immunotherapy or an elimination diet, if there is an IgE-mediated respiratory or food allergy, respectively. CONCLUSION: The panel of experts reached consensus on relevant aspects of AD with a focus on the transcultural adaptation of recent evidence.

Antecedentes: Los abordajes diagnósticos y las estrategias terapéuticas de la dermatitis atópica generalmente son inconsistentes entre los médicos y entre las instituciones de salud. Objetivo: Consensar las opiniones de expertos para reducir las variaciones en la práctica respecto al diagnóstico y tratamiento de pacientes ≥ 12 años con dermatitis atópica para mejorar su cuidado. Métodos: Búsqueda sistemática de la literatura en PubMed y GREAT. Con apoyo metodológico y utilizando el método Delphi se desarrolló un consenso formal entre 16 expertos en dermatología y alergología, basándose en la evidencia actual y su aplicabilidad en el contexto mexicano. A parte de una comunicación electrónica intensa, se discutieron los puntos en desacuerdo en dos reuniones presenciales. Resultados: Los expertos clínicos alcanzaron consenso en 46 declaraciones relacionadas con la definición, clasificación, estrategias de diagnóstico y tratamiento de la dermatitis atópica. Para el diagnóstico sugerimos se usan los criterios de Williams y el SCORAD (por parte del médico) y POEM (por parte del paciente) para definir la gravedad. Aunado a cuidados generales y educación terapéutica, sugerimos cuatro pasos para tratamiento, según gravedad: 1. Manejo tópico con antiinflamatorio (y sistémico: antihistamínico/antileucotrieno ­evidencia reducida­) 2. Fototerapia, 3. Ciclosporina A y 4. Dupilumab, con la posibilidad de manejarlo antes si se necesita efecto rápido. En la dermatitis atópica extrínseca sugerimos agregar inmunoterapia con alérgenos o una dieta de eliminación si existe una alergia IgE-mediada, inhalatoria o alimentaria, respectivamente. Conclusión: El panel de expertos realizó consenso en aspectos relevantes de la dermatitis atópica con enfoque en la adaptación transcultural de evidencia reciente.

Insights in the analytical performance of neat metal-organic frameworks in the determination of pollutants of different nature from waters using dispersive miniaturized solid-phase extraction and liquid chromatography.

Five metal-organic frameworks (MOFs), specifically HKUST-1, MOF-5(Zn), MIL-53(Al), UiO-64 and MOF-74(Zn) are synthesized, characterized, and utilized in a miniaturized solid-phase extraction method under dispersive mode (D-µSPE) for the determination of six pollutants of different nature, including one polycyclic aromatic hydrocarbon, two hormones, two drugs, and one disinfectant, from environmental waters (tap water and wastewater). A discussion of possible interactions justifying the partitioning of target analytes to the MOFs is included, considering not only the analytes' physicochemical characteristics but also those of MOFs: metal nature, structural environment of MOF pores, pore size and pore aperture widths, among others. MIL-53(Al) is selected for its versatility and high extraction efficiency for the target compounds. The D-µSPE method using MIL-53(Al) is optimized and used in combination with high-performance liquid chromatography (HPLC) with diode array detector (DAD) or liquid-chromatography with time-of-flight mass spectrometric detector (LC-TOF). Under optimum conditions, only 5mg of MIL-53(Al) are required for 10mL of water, with the aid of 5min of vortex and 5min of centrifugation. Elution is accomplished with 200µL of acetonitrile (3 times), and evaporation down to 100µL before LC injection. Detection limits down to 0.040µgL-1 for triclosan and 0.013µgL-1 for atrazine are obtained for the entire method using HPLC-DAD and LC-TOF, respectively. The method, operating at low spiked levels (2µgL-1 for HPLC-DAD and 0.7µgL-1 for LC-TOF), is also characterized for average relative recoveries of 109% and 105%; relative standard deviation values lower than 8.7% and 7.5%; and average extraction efficiencies of 41.2% and 49.1%; using HPLC-DAD and LC-TOF, respectively; while demonstrating adequate analytical performance with complex samples such as wastewaters.

A green metal-organic framework to monitor water contaminants.

The CIM-80 material (aluminum(iii)-mesaconate) has been synthetized in high yield through a novel green procedure involving water and urea as co-reactants. The CIM-80 material exhibits good thermal stability with a working range from RT to 350 °C with a small contraction upon desolvation. Moreover, this material is stable in water at different pH values (1-10) for at least one week, and shows a LC50 value higher than 2 mg mL-1. The new material has been tested in a microextraction methodology for the monitoring of up to 22 water pollutants while presenting little environmental impact: only 20 mg of CIM-80 and 500 µL of acetonitrile are needed per analysis. The analytical performance of the CIM-80 in the microextraction strategy is similar to or even better for several pollutants than that of MIL-53(Al). The average extraction efficiencies range from ∼20% for heavy polycyclic aromatic hydrocarbons to ∼70-100% for the lighter ones. In the case of the emerging contaminants, the average extraction efficiency can reach values up to 70% for triclosan and carbamazepine.

Photoluminescent and Slow Magnetic Relaxation Studies on Lanthanide(III)-2,5-pyrazinedicarboxylate Frameworks.

In the series described in this work, the hydrothermal synthesis led to oxidation of the 5-methyl-pyrazinecarboxylate anion to the 2,5-pyrazinedicarboxylate dianion (2,5-pzdc) allowing the preparation of three-dimensional (3D) lanthanide(III) organic frameworks of formula {[Ln2(2,5-pzdc)3(H2O)4]·6H2O}n [Ln = Ce (1), Pr (2), Nd (3), and Eu (4)] and {[Er2(2,5-pzdc)3(H2O)4]·5H2O}n (5). Single-crystal X-ray diffraction on 1-5 reveals that they crystallize in the triclinic system, P1̅ space group with the series 1-4 being isostructural. The crystal structure of the five compounds are 3D with the lanthanide(III) ions linked through 2,5-pzdc2- dianions acting as two- and fourfold connectors, building a binodal 4,4-connected (4·648)(426282)-mog network. The photophysical properties of the Nd(III) (3) and Eu(III) (4) complexes exhibit sensitized photoluminescence in the near-infrared and visible regions, respectively. The photoluminescence intensity and lifetime of 4 were very sensitive due to the luminescence quenching of the 5D0 level by O-H oscillators of four water molecules in the first coordination sphere leading to a quantum efficiency of 11%. Variable-temperature magnetic susceptibility measurements for 1-5 reveal behaviors as expected for the ground terms of the magnetically isolated rare-earth ions [2F5/2, 2H4, 4I9/2, 7F0, and 4I15/2 for Ce(III), Pr(III), Nd(III), Eu(III), and Er(III), respectively] with MJ = 0 (2 and 4) and ±1/2 (1, 3, and 5). Q-band electron paramagnetic resonance measurements at low temperature corroborate these facts. Frequency-dependent alternating-current magnetic susceptibility signals under external direct-current fields in the range of 100-2500 G were observed for the Kramers ions of 1, 3, and 5, indicating slow magnetic relaxation (single-ion magnet) behavior. In these compounds, τ-1 decreases with decreasing temperature at any magnetic field, but no Arrhenius law can simulate such a dependence in all the temperature range. This dependence can be reproduced by the contributions of direct and Raman processes, the Raman exponent (n) reaching the expected value (n = 9) for a Kramers system.

Exposure to silver nanoparticles produces oxidative stress and affects macromolecular and metabolic biomarkers in the goodeid fish Chapalichthys pardalis.

Silver nanoparticles (AgNPs) are the most commercialized nanomaterial worldwide, mainly due to their microbicidal activity. Although, AgNPs have been shown to be toxic to aquatic species, their effect on endemic fish, like Goodeidae, has not been demonstrated. Endemic species are under strong pressures by anthropogenic contamination and destruction of their habitat; therefore, we studied adult Chapalichthys pardalis, an endemic fish of Mexico. We evaluated the toxic effect of AgNPs through oxidative stress, macromolecular and metabolic biomarkers. We determined the LC50 (96h) and performed subchronic tests (21days) using sublethal AgNPs concentrations (equivalent to CL1 and CL10). At the end of the bioassay, we quantified 10 stress biomarkers in the liver, gills, and muscle, including the antioxidant enzymes (superoxide dismutase [SOD], catalase [CAT], and glutathione [GPx]), thiobarbituric acid reactive species (TBARS), protein oxidation (CO), macromolecules (proteins, lipids, and carbohydrates), and metabolites (glucose and lactate). In addition, we determined the integrated biomarkers response (IBR). LC50 was of 10.32mgL-1. Results of subchronic exposure (21days) revealed that AgNPs produce oxidative stress in C. pardalis adults, as evidenced by a diminution in antioxidant enzymes activity and an increase in TBARS and oxidized proteins. AgNPs also diminished levels of macromolecules and generated a high-energy consumption, reflected in the reduction of glucose levels, although lactate levels were not altered. The IBR analysis evidenced that the largest effect was produced in organisms exposed to LC10, being the liver and gills the organs with the greatest damage. Results demonstrated that exposure to AgNPs induces acute and chronic toxic effects on C. pardalis and forewarns about the impact that these nanomaterials can exert on these ecologically relevant aquatic organisms.