ESTRO-ACROP guideline on surface guided radiation therapy.

Surface guidance systems enable patient positioning and motion monitoring without using ionising radiation. Surface Guided Radiation Therapy (SGRT) has therefore been widely adopted in radiation therapy in recent years, but guidelines on workflows and specific quality assurance (QA) are lacking. This ESTRO-ACROP guideline aims to give recommendations concerning SGRT roles and responsibilities and highlights common challenges and potential errors. Comprehensive guidelines for procurement, acceptance, commissioning, and QA of SGRT systems installed on computed tomography (CT) simulators, C-arm linacs, closed-bore linacs, and particle therapy treatment systems are presented that will help move to a consensus among SGRT users and facilitate a safe and efficient implementation and clinical application of SGRT.

Surface guided radiation therapy: An international survey on current clinical practice.

Introduction: Surface Guided Radiation Therapy (SGRT) is being increasingly implemented into clinical practice across a number of techniques and irradiation-sites. This technology, which is provided by different vendors, can be used with most simulation- and delivery-systems. However, limited guidelines and the complexity of clinical settings have led to diverse patterns of operation. With the aim to understand current clinical practice a survey was designed focusing on specifics of the clinical implementation and usage. Materials and methods: A 32-question survey covered: type and number of systems, quality assurance (QA), clinical workflows, and identification of strengths/limitations. Respondents from different professional groups and countries were invited to participate. The survey was distributed internationally via ESTRO-membership, social media and vendors. Results: Of the 278 institutions responding, 172 had at least one SGRT-system and 136 use SGRT clinically. Implementation and QA were primarily based on the vendors' recommendations and phantoms. SGRT was mainly implemented in breast RT (116/136), with strong but diverse representation of other sites. Many (58/135) reported at least partial elimination of skin-marks and a third (43/126) used open-masks. The most common imaging protocol reported included the combination of radiographic imaging with SGRT. Patient positioning (115/136), motion management (104/136) and DIBH (99/136) were the main applications.Main barriers to broader application were cost, system integration issues and lack of demonstrated clinical value. A lack of guidelines in terms of QA of the system was highlighted. Conclusions: This overview of the SGRT status has the potential to support users, vendors and organisations in the development of practices, products and guidelines.

A Jovian analogue orbiting a white dwarf star.

Studies1,2 have shown that the remnants of destroyed planets and debris-disk planetesimals can survive the volatile evolution of their host stars into white dwarfs3,4, but few intact planetary bodies around white dwarfs have been detected5-8. Simulations predict9-11 that planets in Jupiter-like orbits around stars of ≲8 M☉ (solar mass) avoid being destroyed by the strong tidal forces of their stellar host, but as yet, there has been no observational confirmation of such a survivor. Here we report the non-detection of a main-sequence lens star in the microlensing event MOA-2010-BLG-477Lb12 using near-infrared observations from the Keck Observatory. We determine that this system contains a 0.53 ± 0.11 M☉ white-dwarf host orbited by a 1.4 ± 0.3 Jupiter-mass planet with a separation on the plane of the sky of 2.8 ± 0.5 astronomical units, which implies a semi-major axis larger than this. This system is evidence that planets around white dwarfs can survive the giant and asymptotic giant phases of their host's evolution, and supports the prediction that more than half of white dwarfs have Jovian planetary companions13. Located at approximately 2.0 kiloparsecs towards the centre of our Galaxy, it is likely to represent an analogue to the end stages of the Sun and Jupiter in our own Solar System.

In vitro and in silico assessment of antitumor properties and biomolecular binding studies for two new complexes based on NiII bearing k2N,S-donor ligands.

This work deals with two new molecule-based materials, namely NiII-complexes of general formulae [Ni(L1)2] (Ni1) and [Ni(L2)2] (Ni2), where L1 = trans-cinnamaldehyde-N(4)-methyl thiosemicarbazone and L2 = trans-cinnamaldehyde-N(4)-ethyl thiosemicarbazone, as potential antitumor agents. Both compounds were characterized by elemental analysis, molar conductivity and spectroscopic techniques (FTIR and NMR). Their molecular structures were obtained by single-crystal X-ray diffraction analysis. Each one crystallizes in a monoclinic space group P 21/c, also the asymmetric unit comprises of one NiII ion located on an inversion centre and one anionic ligand, which acts as a κ2N,S-donor affording a five-membered metallaring. The compounds were screened against two selected tumour cell lines (MCF-7 and A549) and non-tumour fibroblasts cell line (MRC-5) via MTT assays. In both tumour cells, all compounds exhibited higher cytotoxicity than the control drug (cisplatin). The IC50 values ranges of 3.70 - 41.37 µM and 1.06 - 14.91 µM were found for MCF-7 and A549, respectively. Importantly, all of them were less toxicity than cisplatin in MRC-5 with SI values ranged at 11.80 - 86.60. The red blood cell (RBC) assay revealed Ni2 as non-toxic due to its reduced haemolytic effect (0--9% at 1--10 µM). The DNA binding was investigated through a combination of spectrophotometric absorption and emission titrations, electrophoresis, and circular dichroism experiments. As a result, these metal complexes were not able to strongly binding to DNA (Kb values ~104 mol L--1) but suggesting groove-binding interactions. The scavenging ability of them towards 2,2-diphenyl-1-picrylhydrazyl (DPPH) free-radical was also evaluated in this work, but no important antioxidant behaviour was detected. Further, the interaction of Ni1 and Ni2 to human serum albumin (HSA) was explored by quenching of tryptophan emission, warfarin competitive assay, and molecular docking protocols. The HSA binding analyses indicated good affinity of both complexes to Sudlow site I (Kb values ⁓103 mol L-1).

A 3D Finite Element Analysis of Bone Tissue in 3-Unit Implant-Supported Prostheses: Effect of Splinting Factor and Implant Length and Diameter.

This study aimed to assess the effects of splinting in 3-unit implant-supported prostheses with varying the splinting factor, length of the implant, and the diameter of the 1°molar (1°M) implant on cortical bone tissue (CBT). Twelve 3D models were simulated, which represented the posterior maxillary with 3 implants, supporting 3-unit FDP varying the splinting factor (single-unit crowns, splinted crowns straight-line and offset implant configuration [OIC]), length of the implant (7mm and 8,5mm), and the diameter of the 1°M (Ø4 mm and Ø5 mm). The CBT was analyzed by maximum principal stress and microstrain maps. The increase in implant diameter improved the biomechanical behavior of rehabilitation. The increase of the implant diameter in the 1°M associated with OIC generated the best biomechanical behavior for CBT. The splinting was effective in decreasing stress and microstrain, mainly when associated with OIC and implant diameter of Ø5 in the 1°M. The effect of increasing the diameter of the implant referring to the 1°M for single-unit crowns was more effective than the effect of the splinting of implants with Ø4 mm in straight-line. The diameter and splinting factors showed to be more important than implant length to reduce the stress and microstrain on CBT.

Narrow-diameter implants versus regular-diameter implants for rehabilitation of the anterior region: a systematic review and meta-analysis.

The aim of this systematic review and meta-analysis was to evaluate studies comparing implant survival rates, marginal bone loss (MBL), and mechanical and biological complication rates between narrow-diameter implants (NDIs) and regular-diameter implants (RDIs) used for oral rehabilitation in the anterior region. The review was conducted according to the PRISMA checklist. Two independent reviewers performed a comprehensive search of the PubMed/MEDLINE, Embase, Scopus, and Cochrane Library databases for studies published until May 2020. A total of 843 implants (484 NDIs and 359 RDIs) were included. No significant difference in implant survival rate (risk difference (RD) 0.01, 95% confidence interval (CI) -0.01 to 0.03; P=0.34), MBL (standardised mean difference -0.51mm, 95% CI -1.29 to 0.26mm; P=0.19), mechanical complications (RD 0.01, 95% CI -0.02 to 0.04; P=0.40), or biological complications (RD 0.01, 95% CI -0.09 to 0.11; P=0.85) was found between the implant groups. Within the limitations of this study, it is concluded that NDIs are an effective alternative to RDIs due to similar survival rates, MBL, and mechanical and biological complication rates. However, future studies are highly encouraged due to the small number of interventional studies on this topic.

Nanotechnology for catalysis and solar energy conversion.

This roadmap on Nanotechnology for Catalysis and Solar Energy Conversion focuses on the application of nanotechnology in addressing the current challenges of energy conversion: 'high efficiency, stability, safety, and the potential for low-cost/scalable manufacturing' to quote from the contributed article by Nathan Lewis. This roadmap focuses on solar-to-fuel conversion, solar water splitting, solar photovoltaics and bio-catalysis. It includes dye-sensitized solar cells (DSSCs), perovskite solar cells, and organic photovoltaics. Smart engineering of colloidal quantum materials and nanostructured electrodes will improve solar-to-fuel conversion efficiency, as described in the articles by Waiskopf and Banin and Meyer. Semiconductor nanoparticles will also improve solar energy conversion efficiency, as discussed by Boschloo et al in their article on DSSCs. Perovskite solar cells have advanced rapidly in recent years, including new ideas on 2D and 3D hybrid halide perovskites, as described by Spanopoulos et al 'Next generation' solar cells using multiple exciton generation (MEG) from hot carriers, described in the article by Nozik and Beard, could lead to remarkable improvement in photovoltaic efficiency by using quantization effects in semiconductor nanostructures (quantum dots, wires or wells). These challenges will not be met without simultaneous improvement in nanoscale characterization methods. Terahertz spectroscopy, discussed in the article by Milot et al is one example of a method that is overcoming the difficulties associated with nanoscale materials characterization by avoiding electrical contacts to nanoparticles, allowing characterization during device operation, and enabling characterization of a single nanoparticle. Besides experimental advances, computational science is also meeting the challenges of nanomaterials synthesis. The article by Kohlstedt and Schatz discusses the computational frameworks being used to predict structure-property relationships in materials and devices, including machine learning methods, with an emphasis on organic photovoltaics. The contribution by Megarity and Armstrong presents the 'electrochemical leaf' for improvements in electrochemistry and beyond. In addition, biohybrid approaches can take advantage of efficient and specific enzyme catalysts. These articles present the nanoscience and technology at the forefront of renewable energy development that will have significant benefits to society.

Correction to: Recent advances in Surface Guided Radiation Therapy.

An amendment to this paper has been published and can be accessed via the original article.

Recent advanced in Surface Guided Radiation Therapy.

The growing acceptance and recognition of Surface Guided Radiation Therapy (SGRT) as a promising imaging technique has supported its recent spread in a large number of radiation oncology facilities. Although this technology is not new, many aspects of it have only recently been exploited. This review focuses on the latest SGRT developments, both in the field of general clinical applications and special techniques.SGRT has a wide range of applications, including patient positioning with real-time feedback, patient monitoring throughout the treatment fraction, and motion management (as beam-gating in free-breathing or deep-inspiration breath-hold). Special radiotherapy modalities such as accelerated partial breast irradiation, particle radiotherapy, and pediatrics are the most recent SGRT developments.The fact that SGRT is nowadays used at various body sites has resulted in the need to adapt SGRT workflows to each body site. Current SGRT applications range from traditional breast irradiation, to thoracic, abdominal, or pelvic tumor sites, and include intracranial localizations.Following the latest SGRT applications and their specifications/requirements, a stricter quality assurance program needs to be ensured. Recent publications highlight the need to adapt quality assurance to the radiotherapy equipment type, SGRT technology, anatomic treatment sites, and clinical workflows, which results in a complex and extensive set of tests.Moreover, this review gives an outlook on the leading research trends. In particular, the potential to use deformable surfaces as motion surrogates, to use SGRT to detect anatomical variations along the treatment course, and to help in the establishment of personalized patient treatment (optimized margins and motion management strategies) are increasingly important research topics. SGRT is also emerging in the field of patient safety and integrates measures to reduce common radiotherapeutic risk events (e.g. facial and treatment accessories recognition).This review covers the latest clinical practices of SGRT and provides an outlook on potential applications of this imaging technique. It is intended to provide guidance for new users during the implementation, while triggering experienced users to further explore SGRT applications.

Wistar rat dermis recellularization.

Skin lesions are normal to all species, regardless of gender or age. The skin, the largest organ of the body, has function as a primary barrier to the chemical, physical and biological aggressions of the environment. In animals, these lesions may be due to fights and/or predations, also as in humans, there is a very common cause of dermal lesions that are caused by burns and carcinomas. Looking for new techniques of tissue bioengineering, studies have been shown promising results for formulations of acellular biological scaffolds from tissue decellularization for the reconstitution of these lesions. The decellularization has its proof by a varied range of tests such as scanning electron microscopy and residual genomic DNA tests. Subsequently the tissue can go through the process of recellularization using cells of interest, even the animal that will receive this tissue, reducing the risks of rejection and improving the response to tissue transplantation. Thus, this manuscript aimed at the decellularization of the tissue with the use of chemical and physical means followed by sterilization and the establishment of a protocol for the recellularization of a decellularized scaffold from the Wistar rat dermis using murine fibroblasts and mesenchymal stem cells from canine adipose tissue for 7 days. After efficacy tests, the tissue recellularization were confirmed by immunofluorescence assays and scanning electron microscopy where the adherence of the cells in the biological scaffold was observed.

Incidencia, tendencia y distribución municipal de los tumores asociados al tabaco en el Área de Salud de León: 1997-2014 / Incidence, trend and municipal distribution of tobacco-associated tumours in the Health Area of León: 1997-2014

OBJETIVO: El consumo de tabaco es uno de los principales factores de riesgo evitables para el desarrollo de cáncer. El objetivo de este estudio es describir la frecuencia, la tendencia y la distribución geográfica de la incidencia de los tumores asociados al tabaco en el Área de Salud de León. MATERIAL Y MÉTODOS: Estudio observacional, descriptivo, que recoge los tumores asociados al consumo de tabaco del Registro Hospitalario de Tumores del Complejo Asistencial Universitario de León, entre 1997 y 2014 en residentes del Área de Salud de León. Se calcularon tasas brutas y ajustadas por trienios. Para el análisis de la distribución espacial se estimaron los riesgos relativos municipales suavizados mediante el ajuste del modelo de Besag, York y Mollié y sus probabilidades posteriores de que los riesgos relativos fuesen mayores de 1, utilizando métodos bayesianos. RESULTADOS: Se incluyeron 7.103 casos. Las tasas de incidencia brutas ascendieron de 116,4 (1997-1999) a 228,0 (2012-2014) por 100.000 hombres y de 19,8 (1997-1999) a 44,5 (2012-2014) por 100.000 mujeres. Las tasas ajustadas a población europea también ascendieron de 116,2 (1997-1999) a 136,9 (2012-2014) por 100.000 hombres y de 11 (1997-1999) a 24,5 (2012-2014) por 100.000 mujeres. En la zona sur y centro de la provincia son más frecuentes los municipios con riesgos relativos altos, varios de ellos superiores a 2 con unas probabilidades posteriores de 1. CONCLUSIONES: Los casos de tumores asociados al tabaco aumentaron en los trienios estudiados, especialmente en las mujeres. La diferente distribución geográfica puede ser utilizada como herramienta de prevención del consumo de tabaco en las áreas implicadas

OBJECTIVE: For cancer incidence, tobacco use is one of the main avoidable risk factors. The aim of this study is to describe the frequency, trend and geographical distribution of the incidence of tobacco-associated tumours in the León Health Area, Spain. MATERIAL AND METHODS: An observational, descriptive study was carried out on tumours of Hospital Registry of Tumours of the University Hospital Complex of León between 1997 and 2014. León Health Area residents, associated with smoking were included. Gross and adjusted rates were calculated and adjusted for triennials. For the analysis of spatial distribution, municipal relative hazards were smoothed by adjusting the Besag, York, and Mollié model and for their posterior probabilities for relative hazards to be higher than 1, using Bayesian methods. RESULTS: A total of 7,103 cases were included. Crude incidence rates rose from 116.4 (1997-1999) to 228.0 (2012-2014) per 100,000 men, and from 19.8 (1997-1999) to 44.5 (2012-2014) per 100,000 women. The adjusted rates for the European population also increased from 116.2 (1997-1999) to 136.9 (2012-2014) per 100,000 men, and from 11 (1997-1999) to 24.5 (2012-2014) per 100,000 women. In the south and centre of the province, there were municipalities with high relative hazards, several of them higher than 2 with posterior probabilities of 1. CONCLUSIONS: Tumours associated with tobacco increased in the triennial studied, especially in women. The different geographical distribution can be used as a tool to prevent tobacco consumption in the areas involved

[Incidence, trend and municipal distribution of tobacco-associated tumours in the Health Area of León: 1997-2014]. / Incidencia, tendencia y distribución municipal de los tumores asociados al tabaco en el Área de Salud de León: 1997-2014.

OBJECTIVE: For cancer incidence, tobacco use is one of the main avoidable risk factors.The aim of this study is to describe the frequency, trend and geographical distribution of the incidence of tobacco-associated tumours in the León Health Area, Spain. MATERIAL AND METHODS: An observational, descriptive study was carried out on tumours of Hospital Registry of Tumours of the University Hospital Complex of León between 1997 and 2014. León Health Area residents, associated with smoking were included. Gross and adjusted rates were calculated and adjusted for triennials. For the analysis of spatial distribution, municipal relative hazards were smoothed by adjusting the Besag, York, and Mollié model and for their posterior probabilities for relative hazards to be higher than 1, using Bayesian methods. RESULTS: A total of 7,103 cases were included. Crude incidence rates rose from 116.4 (1997-1999) to 228.0 (2012-2014) per 100,000 men, and from 19.8 (1997-1999) to 44.5 (2012-2014) per 100,000 women. The adjusted rates for the European population also increased from 116.2 (1997-1999) to 136.9 (2012-2014) per 100,000 men, and from 11 (1997-1999) to 24.5 (2012-2014) per 100,000 women. In the south and centre of the province, there were municipalities with high relative hazards, several of them higher than 2 with posterior probabilities of 1. CONCLUSIONS: Tumours associated with tobacco increased in the triennial studied, especially in women. The different geographical distribution can be used as a tool to prevent tobacco consumption in the areas involved.

Estimación de la fracción atribuible poblacional debida a la obesidad en los ingresos hospitalarios por gripe valorada según el índice de masa corporal (IMC) y el CUN-BAE / Estimation of the population attributable fraction due to obesity in hospital admissions for flu valued according to Body Mass Index (BMI) and CUN-BAE

Introducción. La pandemia de la obesidad junto con la pandemia de gripe puede dar lugar a una importante carga de enfermedad. El índice de masa corporal (IMC) no correlaciona adecuadamente con el porcentaje de grasa corporal. El CUN-BAE es un estimador de grasa corporal para caucásicos que incluye el IMC, el sexo y la edad. El objeto de este trabajo es valorar la fracción atribuible poblacional de ingreso hospitalario por gripe debido a la grasa corporal medida con el IMC y el CUN-BAE. Metodología. Estudio multicéntrico de casos y controles. Los casos fueron ingresos hospitalarios con confirmación de gripe por PCR-RT entre 2009-2011. Empleando IMC o CUN-BAE, para cada categoría de adiposidad se calculó el riesgo de hospitalización por gripe mediante regresión logística condicional, y se estimó la fracción atribuible poblacional en el total de la muestra, en no vacunados y en menores de 65 años. Resultados. Se incluyeron 472 casos hospitalizados y 493 controles. La ORa de hospitalización por gripe, en comparación con el normopeso, se incrementó con cada nivel de IMC (ORa=1,26; 2,06 y 11,64) y de CUN-BAE (ORa=2,78; 4,29; 5,43 y 15,18). La fracción atribuible poblacional de hospitalización por gripe del CUN-BAE fue 3 veces superior que la estimada con el IMC (0,72 vs. 0,27), siendo similares las diferencias encontradas en no vacunados y en menores de 65 años. Conclusión. El IMC podría estar infraestimando la carga de enfermedad atribuible a la obesidad en la hospitalización por gripe. Se debería valorar adecuadamente el impacto de la obesidad y los criterios de recomendación vacunal

Introduction. The obesity pandemic together with the influenza pandemic could lead to a significant burden of disease. The body mass index (BMI) does not discriminate obesity appropriately. The CUN-BAE has recently been used as an estimate of body fatness for Caucasians, including BMI, gender, and age. The aim of this study is to assess the population attributable fraction of hospital admissions due to influenza, due to the body fatness measured with the BMI, and the CUN-BAE. Methods. A multicentre study was conducted using matched case-controls. Cases were hospital admissions with the influenza confirmed by the RT-PCR method between 2009 and 2011. The risk of hospital admission and the population attribuible fraction were calculated using the BMI or the CUN-BAE for each adiposity category in a conditional logical regression analysis adjusted for confounding variables. The analyzes were estimated in the total sample, in unvaccinated people, and those less than 65 years-old. Results. A total of 472 hospitalised cases and 493 controls were included in the study. Compared to normal weight, the aOR of influenza hospital admissions increases with each level of BMI (aOR=1.26; 2.06 and 11.64) and CUN-BAE (aOR=2.78; 4.29; 5.43 and 15.18). The population attributable fraction of influenza admissions using CUN-BAE is 3 times higher than that estimated with BMI (0,72 vs. 0,27), with the differences found being similar the non-vaccinated and under 65 year-olds. Conclusion. The BMI could be underestimating the burden of disease attributable to obesity in individuals hospitalised with influenza. There needs to be an appropriate assessment of the impact of obesity and vaccine recommendation criteria

Clinical viability of single implant-retained mandibular overdentures: a systematic review and meta-analysis.

The aim of this meta-analysis was to verify the clinical viability of single implant-retained mandibular overdentures (SIMO). An electronic search of the PubMed and Cochrane databases was performed (end date July 2017); this was supplemented by a manual search of the literature. Only prospective clinical trials and randomized controlled trials (RCTs) that evaluated SIMO with a minimum follow-up of 12 months were included. The meta-analysis was based on the Mantel-Haenszel method. Dental implant and prosthetic failure were the dichotomous outcome measures; these were evaluated through the risk ratio (RR) and odds ratio (OR), with corresponding 95% confidence intervals (CI). Of 499 articles identified, nine fulfilled the inclusion criteria. A total of 205 implants were placed in patients with a mean age of 64.1 years; the cumulative survival rate was 96.6% over a mean follow-up period of 37.3 months. The procedure used (SIMO vs. two implant-retained mandibular overdenture) did not affect dental implant failure (P=0.45) or prosthetic failure (P=0.65): RR 1.06 (95% CI 0.91-1.23) and RR 0.88 (95% CI 0.51-1.51), respectively; OR 2.56 (95% CI 0.27-24.39; P=0.41) and OR 0.44 (95% CI 0.15-1.26; P=0.13), respectively. Within the limitations of this systematic review and meta-analysis, SIMO with a complete denture as the opposing arch may be considered an alternative treatment for completely edentulous patients. However, this study also confirmed the need for more RCTs on this topic.

[Estimation of the population attributable fraction due to obesity in hospital admissions for flu valued according to Body Mass Index (BMI) and CUN-BAE]. / Estimación de la fracción atribuible poblacional debida a la obesidad en los ingresos hospitalarios por gripe valorada según el índice de masa corporal (IMC) y el CUN-BAE.

INTRODUCTION: The obesity pandemic together with the influenza pandemic could lead to a significant burden of disease. The body mass index (BMI) does not discriminate obesity appropriately. The CUN-BAE has recently been used as an estimate of body fatness for Caucasians, including BMI, gender, and age. The aim of this study is to assess the population attributable fraction of hospital admissions due to influenza, due to the body fatness measured with the BMI, and the CUN-BAE. METHODS: A multicentre study was conducted using matched case-controls. Cases were hospital admissions with the influenza confirmed by the RT-PCR method between 2009 and 2011. The risk of hospital admission and the population attribuible fraction were calculated using the BMI or the CUN-BAE for each adiposity category in a conditional logical regression analysis adjusted for confounding variables. The analyzes were estimated in the total sample, in unvaccinated people, and those less than 65 years-old. RESULTS: A total of 472 hospitalised cases and 493 controls were included in the study. Compared to normal weight, the aOR of influenza hospital admissions increases with each level of BMI (aOR=1.26; 2.06 and 11.64) and CUN-BAE (aOR=2.78; 4.29; 5.43 and 15.18). The population attributable fraction of influenza admissions using CUN-BAE is 3 times higher than that estimated with BMI (0,72 vs. 0,27), with the differences found being similar the non-vaccinated and under 65 year-olds. CONCLUSION: The BMI could be underestimating the burden of disease attributable to obesity in individuals hospitalised with influenza. There needs to be an appropriate assessment of the impact of obesity and vaccine recommendation criteria.

The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes.

Quantum mechanics/molecular mechanics (QM/MM) hybrid methods are currently the most powerful computational tools for studies of structure/function relations and catalytic sites embedded in macrobiomolecules (eg, proteins and nucleic acids). QM/MM methodologies are highly efficient since they implement quantum chemistry methods for modeling only the portion of the system involving bond-breaking/forming processes (QM layer), as influenced by the surrounding molecular environment described in terms of molecular mechanics force fields (MM layer). Some of the limitations of QM/MM methods when polarization effects are not explicitly considered include the approximate treatment of electrostatic interactions between QM and MM layers. Here, we review recent advances in the development of computational protocols that allow for rigorous modeling of electrostatic interactions in biomacromolecules and structural refinement, beyond the common limitations of QM/MM hybrid methods. We focus on photosystem II (PSII) with emphasis on the description of the oxygen-evolving complex (OEC) and its high-resolution extended X-ray absorption fine structure spectra (EXAFS) in conjunction with Monte Carlo structural refinement. Furthermore, we review QM/MM structural refinement studies of DNA G4 quadruplexes with embedded monovalent cations and direct comparisons to NMR data.

Estuarization increases functional diversity of demersal fish assemblages in tropical coastal ecosystems.

This study assessed the influence of the seasonal fluctuation of abiotic conditions (wet v. dry season) on the functional diversity (FD) of tropical coastal fish assemblages. Sampling was carried out in three regions of north-east Brazil with contrasting coastlines (influenced by reef, lagoon and estuary). In each region, fishes were sampled from three depth strata (10, 20 and 30 m) and FD was estimated using an index based on key phenotypic and behavioural characteristics. All three regions had higher FD in the wet season at shallower depths, indicating the coexistence of species with low functional redundancy in sites subject to seasonal flushing of fresh water. Deeper sites had lower FD than shallower sites, although this difference was less pronounced for region 3, which is strongly affected by its proximity to the São Francisco estuary. The results broadly support the hypothesis that alterations in abiotic conditions in the wet season allow estuarine-adapted fishes with a different suite of functional traits to invade shallow coastal regions.

Aqueous extract of Chrysobalanus icaco leaves, in lower doses, prevent fat gain in obese high-fat fed mice.

ETHNOPHARMACOLOGICAL RELEVANCE: Due to the rise in obesity, the necessity for resources and treatments that could reduce the morbidity and mortality associated to this pandemia has emerged. The development of new anti-obesity drugs through herbal sources has been increasing in the past decades which are being used not only as medicine but also as food supplements. Previous studies with the aqueous extract of Chrysobalanus icaco L (AECI) have demonstrated activity on lowering blood glucose levels and body weight. AIM OF THE STUDY: Investigate C. icaco effects in overall adiposity and glycemic homeostasis. MATERIAL AND METHODS: C57BL/6J mice were randomly assigned to standard chow (SC) or high-fat diet (HFD) and treated with AECI in 0.35mg/mL or 0.7mg/mL concentrations ad libitum. Food intake, feed efficiency, metabolic efficiency, body, fat pads and gastrocnemius weight, adiposity index, serum lipids, fecal lipid excretion, locomotor activity in the open field test and insulin and glucose tolerance tests were analyzed and compared. The major components of the extract were demonstrated through HPLC and its antioxidant activity analyzed through DPPH and lipid peroxidation. RESULTS: The AECI in the 0.35mg/mL concentration did not affect food intake or body weight. However, it promoted lower adipose tissue gain, TG levels, and fecal lipid excretion, increased locomotor activity and lean mass weight, and normalized insulin sensitivity and glucose tolerance. Moreover, AECI showed the presence of myricetin 3-O-glucuronide, rutin, quercitrin and myricitrin and demonstrated high-antioxidant activity. CONCLUSIONS: AECI in lower concentrations can prevent fat storage or enhance fat utilization through the increase of locomotor activity. Also, this reinforces its ability to maintain glucose homeostasis through the normalization of insulin sensitivity and glucose tolerance despite the high-fat diet intake. These activities could be associated to the extract's polyphenol content.

Platform-switching implants and bone preservation: a systematic review and meta-analysis.

The aim of this study was to perform a systematic review and meta-analysis to evaluate the possible benefits of platform-switching (PSW) implants when compared to regular platform (RP) implants in the categories of bone preservation and longevity. This systematic review and meta-analysis was performed in accordance with the PRISMA statement, PICO question, and Jadad scale. The relative risk (RR) of failure and the mean difference for marginal bone loss were calculated considering a confidence interval (CI) of 95%. Heterogeneity and subgroup analyses were performed, and funnel plots drawn. Twenty-five studies (17 randomized controlled trials (RCTs) and eight prospective studies) involving 1098 patients and 2310 implants were analysed. The meta-analysis revealed a significant reduction in crestal bone loss for PSW implants compared with RP implants (-0.41mm, 95% CI -0.52 to -0.29, P<0.00001). However, there was no statistically significant difference in implant failure (RR 1.10, 95% CI 0.6-2.02, P=0.75). A reduction in bone loss with PSW implants was observed for the following subgroups: RCTs only, implants in the maxilla, and implants in the mandible. PSW implants presented lower bone resorption compared with RP implants. RCTs should be done to explain the possible biases.

Temporal and tissue expression of genes involved in buds of earliness cotton cultivar.

Gene sequences previously identified in Arabidopsis buds were used as references in order to estimate temporal and tissue expression in buds, leaves, stem, and root tissues in cotton plants. Buds were evaluated during 3 phases: 2-8, 10-12, and 14-20 mm. Primers were designed for the ARF6, ATFY, and SEUSS genes for use in semi-quantitative reverse transcription-polymerase chain reaction and quantitative reverse transcription-polymerase chain reaction. Different levels of expression of the 3 genes were confirmed in cotton buds as well as in other tissues. The peak of gene expression was observed in buds sized 10-12 mm, after which expression decreased in larger buds. The gene GhFYPP3 was the most promising for further prospection of promoter regions, with regular expression patterns observed in bud sizes 10-12 and 14-20 mm. This trait was not observed in others genes.