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Aims: Multiple sclerosis (MS) is a chronic neurological disease that currently lacks effective curative treatments. There is a need to find effective therapies, especially to reverse the progressive demyelination and neuronal damage. Oligodendrocytes form the myelin sheath around axons in the central nervous system (CNS) and oligodendrocyte precursor cells (OPCs) undergo mechanisms that enable spontaneously the partial repair of damaged lesions. The aim of this study was to discover small molecules with potential effects in demyelinating diseases, including (re)myelinating properties. Methods: Recently, it has been shown how LRRK2 inhibition promotes oligodendrogliogenesis and therefore an efficient repair or myelin damaged lesions. Here we explored small molecules inhibiting LRRK2 as potential enhancers of primary OPCs proliferation and differentiation, and their potential impact on the clinical score of experimental autoimmune encephalomyelitys (EAE) mice, a validated model of the most frequent clinical form of MS, relapsing–remitting MS. Results: One of the LRRK2 inhibitors presented in this study promoted the proliferation and differentiation of OPC primary cultures. When tested in the EAE murine model of MS, it exerted a statistically significant reduction of the clinical burden of the animals, and histological evidence revealed how the treated animals presented a reduced lesion area in the spinal cord. Conclusions: For the first time, a small molecule with LRRK2 inhibition properties presented (re)myelinating properties in primary OPCs cultures and potentially in the in vivo murine model. This study provides an in vivo proof of concept for a LRRK2 inhibitor, confirming its potential for the treatment of MS. [ABSTRACT FROM AUTHOR]

Digital fabrication with concrete (DFC) is fast becoming an attractive alternative for components (i.e., façades, urban furniture) and structural typologies (i.e., short‐span footbridges, columns, floor systems) for which complex geometries derived from particular aesthetical criteria and/or construction time constrictions are governing parameters. Additionally, some authors claim that this process allows improving the sustainability of structures, as less material is necessary compared to traditional concrete solutions, thus reducing greenhouse gas emissions linked to material consumption. Nonetheless, the environmental implications of DFC are still under scrutiny and remain objectively unquantified. In this study, a sustainability assessment model to allow decision‐makers to evaluate and compare concrete footbridge alternatives—from the sustainability perspective—including those constructed by means of 3D printed concrete (3DPC) techniques, is presented. The proposed approach is based on the MIVES method. For this purpose, the most representative criteria and indicators of sustainability identified are measured and weighted‐aggregated in a decision‐making tree. The sustainability index (SI) of each alternative is the outcome derived from the application of the model, and the SI was used as reference for evaluating the alternatives. The sustainability of 3D‐printed footbridges is quantified and compared to other concrete‐based solutions: traditional reinforced cast‐in‐place and precast concrete, as traditional solutions, and ultra‐high performance precast concrete and textile‐reinforced concrete, as innovative alternatives. The results of the analysis lead to conclude that 3D‐printed footbridges have positive impacts on environmental and social indicators, but economic indicators still need to be improved to attain a competitive solution. The approach proposed herein to assess the sustainability of footbridges can be extended to other cases and stakeholders' preferences by adapting the components of the method to sensitivities and particular boundary conditions of other scenarios. [ABSTRACT FROM AUTHOR]

In recent years, rooftops have been used as productive spaces for local resource (e.g. food, water, or energy) production. The main objective of this study is to demonstrate the potential of hyperspectral data to identify roof materials in cities. The case study area is located in a Mediterranean region north of Barcelona (Spain); diverse building typologies, building uses (residential, industrial, office, services and retail) and population densities constitute this study area. Two hyperspectral remote sensors (HRSs) were used to obtain hyperspectral images. Seven roof classes were identified using the k-means clustering algorithm. Most roofs were identified as metals (33 percent), followed by ceramic tiles (22 percent). The findings showed that 51 percent of roofs could be suitable for food, water, or energy production. Nevertheless, for a more reliable assessment of this potential, more criteria are needed. [ABSTRACT FROM AUTHOR]

This article brings as its theme the literacy proposals of the Bolsonaro government present in the current National Literacy Plan (PNA) in dialogue with academic theorizations of the last decades and other documents that parameterize Education. We sought to answer the following question: Do the current literacy proposals of the Bolsonaro government represent innovations in the educational field or setbacks to old and outdated discussions? To this end, a qualitative study with a documentary approach was developed. The theoretical contribution permeates literacy studies, as well as contributions from education scholars about literacy. The results point to significant setbacks, such as, for example, the defense of the only "savior" literacy method; little consideration of the intersubjective dimension of reading and the social side of learning to write; and the erasure of academic theories about literacy. [ABSTRACT FROM AUTHOR]

Sustainability has increasingly become key in universities, as the objectives of sustainable development are essential to establish policies, guidelines and indicators that guide institutions to be more sustainable. This recognition has led many authors to develop methods to assess universities based on their performance in terms of sustainable development. This article presents a review of these methods. The review focuses on identifying existing methods and classifying the methods according to seven characteristics: (1) nature of the data, (2) data collection, (3) scope, (4) level of implementation, (5) pillars of sustainability, (6) university function, (7) country perspective taken, which will allow identifying the differences between methods when assessing sustainability. The seven criteria established for the characterization of the sustainability assessment methods contain a total of 27 sub-criteria distributed among the properties. The main contribution of the study is the analysis of the revised methods through a comprehensive characterization and systematic grouping. In the discussion, the results are examined by looking at the comprehensiveness, heterogeneity and objectivity of the methods reviewed. Together with previous research in the area, this study highlights the need to continue deepening the design of sustainability assessment methods with standardized criteria. [ABSTRACT FROM AUTHOR]

Five metal–arene complexes of formula [MX2(η6-p-cymene)(diR(1-pyrenyl)phosphane)] (M = Os or Ru, X = Cl or I, R = isopropyl or phenyl) and symbolized as M RX2 were synthesized and fully characterized, namely Os iPrCl2 , Os iPrI2 , Os PhCl2 , Os PhI2 and Ru PhI2. Furthermore, nine cyclometalated half-sandwich complexes of formula [MX-(η6-p-cymene)(k2C-diR(1-pyrenyl)phosphane)] (M = Os or Ru, X = Cl or I, R = isopropyl or phenyl) or [M(η6-p-cymene)(kS-dmso)(k2C-diR(1-pyrenyl)phosphane)]PF6 (M = Os or Ru, R = isopropyl or phenyl) and symbolized as c-M RX were prepared; hence, c-Os iPrCl , c-Os iPrI , c-Os iPrdmso , c-Os PhCl , c-Os PhI , c-Os Phdmso , c-Ru PhCl , c-Ru PhI and c-Ru Phdmso were obtained and fully characterized. The crystal structures of ten out of the fourteen complexes were solved. All complexes exhibit notable cytotoxic properties against A549 (Lung Adenocarcinoma) human cells, with IC50 values ranging from 48 to 1.42 μM. In addition, complex c-Os iPrdmso shows remarkable toxic behaviours agains other cell lines, namely MCF7 (breast carcinoma), MCF10A (non-tumorigenic epithelial breast) and MDA-MB-435 (melanoma) human cells, as illustrated by IC50 values of 4.36, 4.71 and 2.32 μM, respectively. Finally, it has been found that Os iPrI2 affects the cell cycle of A549 cells, impeding their replication (i.e., the cell cycle is blocked), whereas Os PhI2 (namely with phenyl groups instead of isopropyl ones) does not induce this effect. [ABSTRACT FROM AUTHOR]

The environmental impacts of activities such as raw material extraction, construction of infrastructure, and demolition, place construction as one of the sectors that exert the highest pressures on the environment, society, and economy. Some of the major environmental impacts for which the construction industry is responsible are mineral resource depletion, greenhouse gas emissions, and waste generation. Among the different strategies that exist to decrease such impacts, recycling demolition waste into recycled concrete aggregates has been considered a promising alternative. As such, at present, the literature dealing with the impact assessment of recycled aggregate concrete structures is very extensive. Therefore, the objective of this article is to present a critical view of the state‐of‐the‐art in terms of sustainability assessment of recycled aggregate concrete structures, taking a holistic perspective by considering environmental, social, and economic impacts. [ABSTRACT FROM AUTHOR]

Chemistry and physics have made major advances in recent years, yielding much more complex systems with high hierarchical order across multiple length scales. Accordingly, characterization tools are required that can elucidate the structure of such new materials over all length scales. Simultaneous small‐angle neutron scattering (SANS) and ultra‐small‐angle neutron scattering (USANS) measurements are a unique tool to study such complexity and can be applied to very different fields of science. The OPUS (Option USANS) project is the study of a USANS option for SANS instruments, designed to be very versatile and easy to implement. The main idea is to provide the opportunity to study at the same time, and under the same experimental conditions, complex systems such as polymers, bio‐systems, complex fibres and self‐assembling systems. More specifically, this work presents the design of an option that could be applied to the suite of SANS instruments at the European Spallation Source (ESS) which will allow exploration of a Q range with a minimum Q down to one order of magnitude lower than the value attainable with the standard SANS instrument at the ESS. The proposed setup, based on the SAMBA (small‐angle multi‐beam analysis) approach, is very easy and fast to implement on a conventional SANS instrument and constitutes a multi‐beam approach involving two multi‐slits and a set of lenses near the sample position. This contribution describes all the focusing elements necessary to attain the proposed configuration and a detailed study using McStas simulations to optimize all the parameters involved for two SANS instruments: the future LoKI at the ESS and the present D11 at the Institut Laue–Langevin, the latter used as a benchmark for the model. Simulations performed without taking into account gravity effects show that the multi‐beam approach allows extending the Q ranges to 9 × 10−5–7 × 10−4 Å−1 and 5 × 10−5–3 × 10−4 Å−1 for LoKI and D11, respectively. [ABSTRACT FROM AUTHOR]

The objective of this work was to assess the possibility of dyeing a substrate composed of non-textile industrial hemp using natural dyes from common madder (Rubia Tinctorum L.) and calendula (Calendula Officialis) and tannin and alum as mordants. The substrate used for the dyeing had a 25/75 hemp/cotton composition. The hemp raw material is an agricultural by-product that was subjected to mechanical and chemical treatments in order to cottonize the fibers, blend them with cotton, and thus obtain first 40-tex open-end yarns and then a knitted fabric. The latter was subjected to different dyeing conditions by varying the dye, mordant, and method for its application, type of water, and rinsing after dyeing. Measurements of the difference (ΔE) and intensity (K/S) of color and fastness to washing and rubbing were carried out. The results showed that dyeing of a non-textile residual hemp substrate is possible, and that calendula is a good option for dyeing it with tap water, tannin-alum set in a meta-mordanting process, and rinsing after 24 h. In this way, a contribution has been made to the circular economy of the textile industry through the use of more sustainable sources and products. [ABSTRACT FROM AUTHOR]

Patients with chronic obstructive pulmonary disease (COPD) accumulate low levels of physical activity. How environmental factors affect their physical activity in the short-term is uncertain. Aim: to assess the short-term effects of air pollution and weather on physical activity levels in COPD patients. This multi-center panel study assessed 408 COPD patients from Catalonia (Spain). Daily physical activity (i.e., steps, time in moderate-to-vigorous physical activity (MVPA), locomotion intensity, and sedentary time) was recorded in two 7-day periods, one year apart, using the Dynaport MoveMonitor. Air pollution (nitrogen dioxide (NO 2), particulate matter below 10 μm (PM 10) and a marker of black carbon (absorbance of PM 2.5 : PM 2.5ABS), and weather (average and maximum temperature, and rainfall) were estimated the same day (lag zero) and up to 5 days prior to each assessment (lags 1–5). Mixed-effect distributed lag linear regression models were adjusted for age, sex, weekday, public holidays, greenness, season, and social class, with patient and city as random effects. Patients (85% male) were on average (mean ± SD) 68 ± 9 years old with a post-bronchodilator forced expiratory volume in 1 s (FEV 1) of 57 ± 18% predicted. Higher NO 2 , PM 10 and PM 2.5ABS levels at lag four were associated with fewer steps, less time in MVPA, reduced locomotion intensity, and longer sedentary time (e.g., coefficient (95% CI) of −60 (−105, −15) steps per 10 μg/m3 increase in NO 2). Higher average and maximum temperatures at lag zero were related to more steps and time in MVPA, and less sedentary time (e.g., +85 (15, 154) steps per degree Celsius). Higher rainfall at lag zero was related to fewer steps and more sedentary time. Air pollution affects the amount and intensity of physical activity performed on the following days in COPD patients, whereas weather affects the amount of physical activity performed on the same day. • Higher air pollution relates to low physical activity in COPD up to four days later. • High temperature relates to high physical activity in COPD only on the same day. • Greater rainfall relates to low physical activity in COPD only on the same day. • Urban and transport planning policy should consider people with chronic conditions. • Research on physical activity in COPD should collect data on environmental factors. [ABSTRACT FROM AUTHOR]

Photopharmacological tools enable the precise spatiotemporal control of small molecule drugs. Amongst them, caged compounds incorporate a photolabile moiety which is released under illumination, thus liberating the active molecule. Caging groups have long been known and many chemical scaffolds have already been used in different applications. However, most of the initial examples are cleaved with UV light, which suffers from low tissue permeability and cell damage. Recently, caging groups that are released under visible light have been reported, which expand their utility. In this review, we outline the chemical strategies that have been used to increase the absorption wavelengths; we compare their photophysical properties, discuss their synthetic accessibility, and exemplify some of their biological applications. [ABSTRACT FROM AUTHOR]

Objective: Multiple sclerosis (MS) is a heterogeneous inflammatory demyelinating disease. Iron distribution is altered in MS patients' brains, suggesting iron liberation within active lesions amplifies demyelination and neurodegeneration. Whether the amount and distribution of iron are similar or different among different MS immunopatterns is currently unknown. Methods: We used synchrotron X‐ray fluorescence imaging, histology, and immunohistochemistry to compare the iron quantity and distribution between immunopattern II and III early active MS lesions. We analyzed archival autopsy and biopsy tissue from 21 MS patients. Results: Immunopattern II early active lesions contain 64% more iron (95% confidence interval [CI] = 17–127%, p = 0.004) than immunopattern III lesions, and 30% more iron than the surrounding periplaque white matter (95% CI = 3–64%, p = 0.03). Iron in immunopattern III lesions is 28% lower than in the periplaque white matter (95% CI = −40 to −14%, p < 0.001). When normalizing the iron content of early active lesions to that of surrounding periplaque white matter, the ratio is significantly higher in immunopattern II (p < 0.001). Microfocused X‐ray fluorescence imaging shows that iron in immunopattern II lesions localizes to macrophages, whereas macrophages in immunopattern III lesions contain little iron. Interpretation: Iron distribution and content are heterogeneous in early active MS lesions. Iron accumulates in macrophages in immunopattern II, but not immunopattern III lesions. This heterogeneity in the two most common MS immunopatterns may be explained by different macrophage polarization, origin, or different demyelination mechanisms, and paves the way for developing new or using existing iron‐sensitive magnetic resonance imaging techniques to differentiate among immunopatterns in the general nonbiopsied MS patient population. ANN NEUROL 2021;89:498–510 [ABSTRACT FROM AUTHOR]

Tyr is the mouse gene that encodes tyrosinase, an enzyme that triggers the first and rate‐limiting step in the biosynthesis of melanin. Mutations in Tyr might result in non‐functional Tyr protein and, consequently, loss of pigment production. This is a rare genetic condition, known as albinism, described for most animal species and one of the most obvious and simple phenotypes to investigate in model organisms. Mutations in the orthologous human TYR gene are associated with oculocutaneous albinism type 1 (OCA1). Over the last thirty years, the mouse Tyr locus has been studied as a paradigm for how genes and expression domains are organized and regulated in mammalian genomes. This review summarizes the major findings and experimental strategies used, from the production of conventional transgenic mice to the latest CRISPR‐Cas9 genome‐edited animals. The main conclusion inferred from all of these studies, which extends beyond the analysis of the mouse Tyr locus, is the relevance of analyzing non‐coding regulatory DNA elements in their natural chromosomal environment, and not only as randomly inserted transgenes. Further, the identification of evolutionary conserved regulatory sequences might highlight new vulnerable sites in the human TYR gene, whose mutations could also be associated with albinism. [ABSTRACT FROM AUTHOR]

The taxane class of microtubule stabilizers are some of the most effective and widely used chemotherapeutics. The anticancer activity of taxanes arises from their ability to induce tubulin assembly by selectively recognizing the curved (c-) conformation in unassembled tubulin as compared to the straight (s-) conformation in assembled tubulin. We first designed and synthesized a series of 3′N-modified taxanes bearing covalent groups. Instead of discovering covalent taxanes, we found a series of non-covalent taxanes 2 , in which the 3′N side chain was found to be essential for cytotoxicity due to its role in locking tubulin in the s-conformation. A representative compound bearing an acrylamide moiety (2h) exhibited increased binding affinity to the unassembled tubulin c-conformation and less cytotoxicity than paclitaxel. Further exploration of chemical space around 2h afforded a new series 3 , in which derivatives such as 3l bind more tightly to both the s- and c-conformations of tubulin compared to paclitaxel, leading to more efficient promotion of tubulin polymerization and a greater persistence of in vitro efficacy against breast cancer cells after drug washout. Although 3l also had improved in vivo potency as compared to paclitaxel, it was also associated with increased systemic toxicity that required localized, intratumoral injection to observe potent and prolonged antitumor efficacy. Systematic taxane 3′N modifications afforded 3l , which exhibited a higher degree of cellular persistence that resulted in improved in vivo antitumor potency as compared to paclitaxel when administered by intratumoral injection. The persistent action is attributed to its enhanced binding to both curved and straight conformations of tubulin. [Display omitted] • Two series of 3′N-modified taxanes were designed to recognize the straight and/or curved conformations of tubulin/microtubules. • A derivative 3l exhibited a higher degree of cellular persistence that resulted in improved and prolonged in vivo potency when administered by intratumoral injection. • The persistent action is attributed to the enhanced binding to both curved and straight conformations of tubulin. [ABSTRACT FROM AUTHOR]

Roof characteristics such as material type and their properties information are essential to integrating urban agriculture (UA), rainwater harvesting systems (RWHS), and energy systems on roofs. Roof materials can be identified from their spectral signatures. However, this identification requires a priori knowledge of the materials' spectral characteristics. The main perspective of this work is the future use of spectral data for roof classification. A common practice in mapping materials is the use of spectral libraries. In this regard, this work describes a novel framework for laboratory-based spectral data acquisition. The reflectance data of common, recently introduced (plastics and metals), and representative roof materials from the Mediterranean region were obtained. Data acquisition was conducted in a laboratory under controlled conditions using a high-spatial-resolution (HSR) sensor, which is usually used for airborne surveys. Large variations in the spectral reflectance data were observed due to the composition of the roof material. Flat spectral signatures were found for fibre cement, concrete, gravels and some metals, especially from the near-infrared (NIR) spectral region. Colour and surface finish greatly influence the visible (VIS) spectral range. It was confirmed that the view angle did not modify the spectral shapes. A collection of 39 spectral data of roof materials (ceramics, concrete, fibre cement, metals, plastics, paints, stone, and wood) were compiled into a spectral library that is available online. [ABSTRACT FROM AUTHOR]

Inequality and its analysis have received increasing attention in the literature over the last decades, which has led to the development of a large number of inequality measurement methodologies. In the analysis of inequality, results rely heavily on the choice of a measurement methodology and, very often, different methodologies do not lead to the same rankings. Therefore, in the assessment of inequality, the choice of an appropriate measure is crucial. Important as this choice may be, to the best of the authors' knowledge, there exists no research on the development of a systematic and unified framework for the selection of an adequate inequality measure depending on the context. In consideration of the foregoing, this paper provides a framework with practical guidelines for researchers and practitioners to facilitate the task of choosing the most appropriate inequality measure for their specific needs. The proposed guidelines are based on seven main properties of inequality indexes and are preceded by a comprehensive review of the different methods developed so far, focusing specifically on the advantages and drawbacks of each. Besides, they are accompanied by an empirical application of the different methodologies reviewed in order to better illustrate the various properties of the different inequality measures. [ABSTRACT FROM AUTHOR]

Particle‐induced X‐ray emission (PIXE), X‐ray diffraction (XRD), electron microprobe analysis (EDS) and scanning electron microscopy (SEM) analytical techniques were used to characterize surface paints in pre‐ and post‐fired Aguada Portezuelo decorated pottery. Surface paintings in black, white, red, brown, burgundy and ochre were analysed. Major, minor and trace elements were detected by PIXE, whereas XRD and SEM‐EDS gave information on the main mineral phases and the characteristic morphology for each analysed pigment. The results obtained indicate that the main colour groups can be easily discriminated by PIXE, and they are characterized by only one pigment for each colour: hematite (red) and manganese mineral oxides (black), respectively, whereas white pigments are characterized by calcite, ghelenite and gypsum. [ABSTRACT FROM AUTHOR]

This article focuses on the teaching of reading - and of readers - in primary and secondary education. It aims at promoting theoretical-epistemological propositions which could underpin the methodological practices developed by teachers of Portuguese Language. Starting from the conception of encounter (PONZIO, 2010), it is proposed to investigate reading in its two constitutive dimensions: the intrasubjective and the intersubjective. The theoretical basis for the present study is the culturalhistorical perspective, stemming from Lev Vygotsky's psychology of language and Bakhtin's philosophy of language. This qualitative study focuses on documentary analysis and the data includes the discussion of research excerpts from the Research Hub of Written Culture and Schooling, at the Universidade Federal of Santa Catarina (UFSC), as well as official documents that compose the national parameters for education in Brazil. The results compose theoretical-epistemological propositions materialized in the form of a diagram of Didactic Integration from which it is possible to develop reading activities that would cover both the sociocultural and the linguistic aspects of the text. [ABSTRACT FROM AUTHOR]

Acute myeloid leukaemia (AML) is an aggressive type of leukaemia with low rates of long-term survival. While the current standard of care is based on cytotoxic chemotherapy, a promising emerging approach is differentiation therapy. However, most current differentiating agents target specific mutations and are effective only in certain patient subtypes. To identify agents which may be effective in wider population cohorts, we performed a phenotypic screen with the myeloid marker CD11b and identified a compound series that was able to differentiate AML cell lines in vitro regardless of their mutation status. Structure-activity relationship studies revealed that replacing the formamide and catechol methyl ether groups with sulfonamide and indazole respectively improved the in vitro metabolic profile of the series while maintaining the differentiation profile in multiple cell lines. This optimisation exercise enabled progression of a lead compound to in vivo efficacy testing. Our work supports the promise of phenotypic screening to identify novel small molecules that induce differentiation in a wide range of AML subtypes. [Display omitted] • A phenotypic assay based on the expression of CD11b identifies small molecules that differentiate diverse AML cells. • The phenotypic screen identifies a hit series based on an imidazo[1,2- a ]pyridine core. • The initial hit is optimised to improve solubility and metabolic stability. • The lead compound OXS007464 differentiates AML cells in vitro in a range of cell lines with a range of mutation status. • The lead compound OXS007464 has a favourable pharmacokinetic profile. [ABSTRACT FROM AUTHOR]

Over the last few years, several policies and new technological solutions have targeted the construction sector with the aim of reducing the sector's impacts on the environment. Among the different technological advances proposed, the reuse of materials in construction has been reported as a promising solution for an increase in sustainability and circularity. In particular, a type of cities' undergrounds assets for which materials' reuse is being explored are trenches for protecting services (i.e., water and gas transport pipelines, and optic fibre and other telecommunications services). Nonetheless, the economic and environmental benefits and impact of this type of system is still insufficiently quantified. In this research study, the economic and environmental impacts of four scenarios of trenches were assessed by using Life Cycle Costing (LCC) and Life Cycle Assessment (LCA). The four alternatives analysed consisted of: (1) the classical solution; (2) the classical solution with the reuse of soil; (3) the control low-strength material, and (4) the eco-trench. The results allowed concluding that in the eco-trench system, for which all material is reused, the environmental and economic impacts could be reduced by more than 80% and 50%, respectively. A parametric study for which the dimensions of the trenches were varied, permitted to reinforce these results and to quantify the impact's change along with the width and depth of the trench. Overall, this study provides a comprehensive view of the high-impact potential of reusing material for the construction of trenches in cities. The outcomes allow also remarking that the eco-trench system could be an attractive and advantageous solution for urban infrastructure stakeholders, both from an economic and environmental perspective. • Trenches following circular economy principles yield between 30 and 63% lower costs. • In general, the surface finish (e.g., milling) contributes the most to higher costs. • Circular trenches present lower impacts (up to 97,4% less) in all impact categories. • Material reuse and not using asphalt contributed the most to decrease impacts. [ABSTRACT FROM AUTHOR]

Protein SUMOylation regulates multiple processes involved in the differentiation and maturation of cells and tissues during development. Despite this, relatively little is known about the spatial and temporal regulation of proteins that mediate SUMOylation and deSUMOylation in the CNS. Here we monitor the expression of key SUMO pathway proteins and levels of substrate protein SUMOylation in the forebrain and cerebellum of Wistar rats during development. Overall, the SUMOylation machinery is more highly-expressed at E18 and decreases thereafter, as previously described. All of the proteins investigated are less abundant in adult than in embryonic brain. Furthermore, we show for first time that the profiles differ between cerebellum and cerebrum, indicating differential regional regulation of some of the proteins analysed. These data provide further basic observation that may open a new perspective of research about the role of SUMOylation in the development of different brain regions. [ABSTRACT FROM AUTHOR]

Sub-Saharan Africa has recently undergone, or still do in many countries, a period of transport infrastructure expansion. Current policies are centred on the development of international links, which require large capital-intensive projects and are sometimes economically dubious. This paper reviews the past policies and transport functions since colonial times by placing them in their economic and political context. We find that present strategies have similarities to the ones prevailing in previous periods, where expansion phases dominated by transport-led economic growth theories were followed by a stagnation of Africa’s infrastructure development. In view of the challenges in translating findings from empirical research into right policies, we identify the potential of more balanced and sustainable strategic investments, notably by reinforcing the existing secondary transport networks converging into urban centres. [ABSTRACT FROM AUTHOR]

The aim of this study was to assess the social impacts of microalgae-based systems for wastewater treatment and bioproducts recovery by using the Social Life Cycle Assessment (S-LCA) tool. In particular, two systems were analysed: 1) a system treating urban wastewater, and 2) another system treating wastewater from the food industry. Moreover, these alternatives were compared to 3) a system for bioproducts production from microalgae grown in a standard growth medium. The recovered bioproducts in all the systems considered were: natural pigments, biogas and digestate, which can be reused as biofertilizer. Results showed that the scenario using standard growth medium was the one showing the best results in all impacts and stakeholder categories (up to 24-fold lower impacts depending on the impact category). This was mainly due to: i) the simplicity of the system, which consequently improves health and safety for workers; ii) the absence of contaminants which consequently improves health and safety, acceptability and olfactory impact for both consumers and the local community; iii) the presence of well-established legislation, regulatory frameworks, and full-scale deployment, which benefit value chain actors and society. Overall, this study also identified several social factors hindering a transition towards a circular bioeconomy in the microalgae-based systems for the wastewater treatment and resource recovery sector. [Display omitted] • Social Life Cycle Assessment of microalgae-based systems was carried out. • Microalgae-based systems recovered natural pigments, biofertilizer and biogas. • Microalgae-based systems using wastewater and standard growth medium were compared. • Scenario using standard growth medium showed up to 24-fold lower impact. • Bottlenecks for full-scale deployment of microalgae-based systems were identified. [ABSTRACT FROM AUTHOR]

Road conditions in Sub-Saharan Africa are typically poor, and only a subset of the newly constructed or rehabilitated roads reach their design life. Truck overloading generally causes this rapid deterioration. In Africa, there are few success stories on the imposition of axle-load limits. This study examines the existing regulations on the Douala-N’Djamena international road, which is the main transport corridor in Central Africa and the backbone for internal transport in Cameroon. It benefits from the detailed existing weighing data recorded since 1998 in the corridor’s 10 weighing stations. This vast amount of traffic data, together with available information on road structure and deterioration over time, has been used to conduct an accurate calculation of load equivalency factors. The HDM 4 model has been applied to three scenarios between 2000 and 2015: (1) no axle-load control, (2) the real situation and (3) no overloading tolerance. Results show that axle-load regulations have been reasonably well applied in Cameroon and have contributed to maintaining the corridor in fair condition. In spite of the fact that significant traffic increases are presently counterbalancing the damage avoided by axle-load limits, benefits provided by axle-load control have been substantial: in the period of 2000–2015, every € invested or spent on axle-load control has generated more than €20 of savings in road user costs and in road maintenance and rehabilitation expenditure, which represents, in absolute terms, more than €500 million. [ABSTRACT FROM AUTHOR]

Weinreb amide derivatives of tetramates may be effectively accessed by chemoselective Dieckmann reaction, and further react with Grignards in a fully chemoselective reaction, giving rise to unsaturated acyl derivatives not easily available by other routes. These systems are strong chelators of calcium, and some show potent activity against Gram positive bacteria, and one is a first-in-class proteasome inhibitor. [ABSTRACT FROM AUTHOR]

Rationale: Isotope ratios from skin samples have been widely used to study cetacean trophic ecology. Usually, isotopic skin uniformity has been assumed, despite the heterogeneity of this tissue. This study aims to investigate (1) regional isotopic variation within the skin in cetaceans, and (2) isotopic variation among internal tissues. Methods: Stable carbon (δ13 C values) and nitrogen (δ15 N values) isotope ratios were measured in 11 skin positions in 10 common dolphins (Delphinus delphis) and 9 striped dolphins (Stenella coeruleoalba). In addition, the isotope ratios in the muscle, liver and kidney of both species were determined and compared with those from the skin and from all tissues combined. The signatures were determined by means of elemental analyser/isotope ratio mass spectrometry (EA/IRMS). Results: In both species, no differences between isotope ratios of the skin positions were found. Moreover, the isotope ratios of skin were similar to those of muscle. In contrast, liver and kidney showed higher isotope ratios than muscle and skin. Conclusions: Isotopic homogeneity within the skin suggests that the isotope ratios of a sample from a specific skin position can be considered representative of the ratios from the entire skin tissue in dolphins. This conclusion validates the results of previous stable isotope analyses in dolphins that used skin samples as representative of the whole skin tissue. Isotopic similarities or dissimilarities among tissues should be considered when analysing different tissues and comparing results from the same or different species. [ABSTRACT FROM AUTHOR]

Genome editing is now a routine procedure in many mammalian genetics laboratories. The ostensibly short but intense history of genome-editing approaches illustrates how a disruptive technology can universally colonize a field when this new methodology, conceived to alter mammalian genomes at specific locations, is found to efficiently and robustly deliver results. This review summarizes the early development of genome editing using nucleases, from the pioneering experiments using yeast meganucleases, to the latest prokaryotic nucleases used for precise genome manipulation. Gene-editing nucleases belong to one of three known categories: zinc-finger nucleases (ZFN), transcription activator-like effector nucleases (TALEN), and clustered regularly interspaced short palindromic repeats (CRISPR) and their associated proteins (Cas) tools. All operate on the same principle; they are all capable of inducing a double-strand break (DSB) at a defined genomic sequence that is subsequently corrected by endogenous DNA repair mechanisms. DSBs can be repaired through non-homologous end joining (NHEJ), resulting in small insertions and/or deletions (INDELs) and, hence, often leading to gene disruption. Alternatively, DSBs can be repaired through homology-driven repair (HDR), in the presence of donor homologous DNA sequences, resulting in gene-editing events. [ABSTRACT FROM AUTHOR]

Multiple sclerosis (MS) is a chronic inflammatory demyelinating disease of the central nervous system (CNS) in which oligodendrocytes, the CNS cells that stain most robustly for iron and myelin are the targets of injury. Metals are essential for normal CNS functioning, and metal imbalances have been linked to demyelination and neurodegeneration. Using a multidisciplinary approach involving synchrotron techniques, iron histochemistry and immunohistochemistry, we compared the distribution and quantification of iron and zinc in MS lesions to the surrounding normal appearing and periplaque white matter, and assessed the involvement of these metals in MS lesion pathogenesis. We found that the distribution of iron and zinc is heterogeneous in MS plaques, and with few remarkable exceptions they do not accumulate in chronic MS lesions. We show that brain iron tends to decrease with increasing age and disease duration of MS patients; reactive astrocytes organized in large astrogliotic areas in a subset of smoldering and inactive plaques accumulate iron and safely store it in ferritin; a subset of smoldering lesions do not contain a rim of iron-loaded macrophages/microglia; and the iron content of shadow plaques varies with the stage of remyelination. Zinc in MS lesions was generally decreased, paralleling myelin loss. Iron accumulates concentrically in a subset of chronic inactive lesions suggesting that not all iron rims around MS lesions equate with smoldering plaques. Upon degeneration of iron-loaded microglia/macrophages, astrocytes may form an additional protective barrier that may prevent iron-induced oxidative damage. [ABSTRACT FROM AUTHOR]

Gene editing is a relatively recent concept in the molecular biology field. Traditional genetic modifications in animals relied on a classical toolbox that, aside from some technical improvements and additions, remained unchanged for many years. Classical methods involved direct delivery of DNA sequences into embryos or the use of embryonic stem cells for those few species (mice and rats) where it was possible to establish them. For livestock, the advent of somatic cell nuclear transfer platforms provided alternative, but technically challenging, approaches for the genetic alteration of loci at will. However, the entire landscape changed with the appearance of different classes of genome editors, from initial zinc finger nucleases, to transcription activator-like effector nucleases and, most recently, with the development of clustered regularly interspaced short palindromic repeats (CRISPR) and CRISPR-associated proteins (Cas). Gene editing is currently achieved by CRISPR--Cas-mediated methods, and this technological advancement has boosted our capacity to generate almost any genetically altered animal that can be envisaged. [ABSTRACT FROM AUTHOR]

Objectives The study aim was to evaluate the utility of 2-fraction, dose-staged Gamma Knife radiosurgery (GKRS) in patients with large, high-risk brain metastases (BMs). Methods A total of 63 large BMs in eloquent areas in 61 patients were treated with GKRS in 2 reduced doses. Treatment planning was conducted on the 50% isodose line and included the whole tumor volume as seen on T1 contrast-enhanced and T2-weighted magnetic resonance imaging sections. The median margin and central dose were 12 Gy and 24 Gy, respectively, for both fractions. Patients were assessed using the Graded Prognostic Assessment, Recursive Partitioning Analysis, and Score Index for Radiosurgery. Results Thirty-two patients (53%) had been diagnosed with multiple BMs, and extracranial metastases were present in a majority of patients before GKRS treatment. Significant decreases in tumor volume were observed between the first and second treatment stages. At 3-month follow-up, a majority of patients presented with stable or decreased lesion volumes. The remaining patients showed intralesional hemorrhaging or increasing edema that was managed conservatively. Three patients were diagnosed with tumor progression at the last follow-up and received microsurgical treatment. The median time to radiologic progression was 7 months. The median survival time after initial BM diagnosis was 6 months. Survival times were significantly longer than 3 of 4 calculated prognostic survival estimates. Conclusion The new 2-fraction, dose-staged GKRS concept seems to be a well-tolerated and effective treatment option for large BMs. This method may be indicated in elderly patients or patients with surgical contraindications with large or high-risk brain metastases. [ABSTRACT FROM AUTHOR]

The reduction of bicyclic tetramates can be achieved with high levels of diastereocontrol, but small changes in the substitution of the bicyclic lactam system can lead to changes in the steric bias of the concave/convex system. The tetramates and pyroglutamates prepared in this work exhibited limited antibacterial activity. [ABSTRACT FROM AUTHOR]

Anomalous cross-peaks observed in the NOESY spectra of 2,4-disubstituted thiazolidines and oxazolidines that cannot be attributed to classical dipolar NOE or chemical exchange peaks have been investigated experimentally and computationally and have been shown to arise from scalar cross-relaxation of the first kind. This process is stimulated by the relatively slow modulation of scalar couplings and, for the systems studied, arises from slow on-off proton exchange of the amino nitrogen, a process influenced by solution temperature, acidity, and concentration. The mechanism is likely to be significant for many systems in which proton exchange occurs on the millisecond time scale, and misinterpretation of these cross-peaks may lead to erroneous conclusions should their true origins not be recognized. [ABSTRACT FROM AUTHOR]

The enamel surfaces of fluorotic teeth were studied by scanning electron stereomicroscopy. Different whitening treatments were applied to 25 pieces to remove stains caused by fluorosis and their surfaces were characterized by stereomicroscopy in order to obtain functional and amplitude parameters. The topographic features resulting for each treatment were determined through these parameters. The results obtained show that the 3D reconstruction achieved from the SEM stereo pairs is a valuable potential alternative for the surface characterization of this kind of samples. [ABSTRACT FROM AUTHOR]

The environmental characterization of the charging infrastructure required to operate electric vehicles (EVs) is usually overlooked in the literature. Only rudimentary life cycle inventories of EV charging facilities are available. This lack of information is especially noticeable in environmental studies of the environmental performance of electric two-wheelers (E2Ws), none of which have included an analysis of charging facilities, even though they constitute the most successful electric-drive market in the world. This article focuses on characterizing the life cycle of the global warming potential (GWP) and primary energy demand (PED) of two conventional charging facility designs that are widely implemented for charging E2Ws in public spaces. The relative environmental relevance of charging facilities per kilowatt-hour (kWh) supplied to E2Ws is determined by considering a range of use scenarios (variability in the service ratio) and the effect of upgrading the electricity mix to include more renewable energy sources. Savings of over 3 metric tons (tonnes) of carbon dioxide equivalent emissions and 56 equivalent gigajoules can be achieved by implementing an optimized charging facility design. The internalization of the relative environmental burden from the charging facility per kWh supplied to E2Ws can increase the GWP of E2Ws' use phase from 1% to 20% and the PED from 1% to 13%. Although the article focuses on one particular case scenario, the research is intended to provide complementary criteria for further research on the life cycle management of electric mobility systems. Thus, a series of factors that can influence the environmental performance of EV charging networks at the macro scale are discussed. [ABSTRACT FROM AUTHOR]

Over the last decade high-quality timber plantations have increased in Europe because of the constant high market price of timber and economical incentives from the EU. These latter are mainly due to timber plantations’ role in CO 2 capture. Noble wood plantations have also been established in Mediterranean areas, but many of them suffer from low growth rates due to deficient plantation management and/or non-optimal environmental conditions. Furthermore, little information exists about soil and water management in these plantations and how different soil characteristics may affect management results. In this study, a trial was established in a pure wild cherry plantation under Mediterranean conditions. The trial evaluated the effects that soil type (low soil quality versus good performance for woody crops), soil management (soil tillage versus no tillage), irrigation regime (drip irrigation versus no irrigation) and their interactions may have on wood production. Soil water content and the spontaneous vegetation that appeared in the alleys of the no-tillage treatments were also measured. The results showed that sandy-clay-loam soil with a water-holding capacity of 101.5 ± 5.2 mm had 65% more wood volume increase during the study period than sandy-loam soil with a water-holding capacity of 37.9 ± 8.0 mm. Conventional tillage or zero tillage with the presence of spontaneous vegetation did not differ significantly in wood volume increment, regardless of the type of soil. Although soil water content was significantly increased by tillage in sandy-loam soil, this effect was not enough to increase tree wood volume. On the other hand, the application of drip irrigation did increase wood production by up to 50%. Therefore, 10 years less on the plantation's rotation length can be anticipated when applying irrigation: from 40 to 30 years (sandy–clay–loam soil) and from 56 to 46 years (sandy-loam soil). In conclusion, deep soil characterization of the site is essential before deciding whether to develop a plantation of this type in areas under soil water content limitations caused by deficient soil structure and texture. In addition, our results show important savings can be made by reducing soil tillage, as less tillage leads to greater ground cover and biodiversity. Further investigations are required to examine how long-lasting the effects are and what other benefits can be expected when this type of plantation is managed in a more sustainable way. [ABSTRACT FROM AUTHOR]

Objective: An extensive analysis of white matter plaques in a large sample of multiple sclerosis (MS) autopsies provides insights into the dynamic nature of MS pathology.Methods: One hundred twenty MS cases (1,220 tissue blocks) were included. Plaque types were classified according to demyelinating activity based on stringent criteria. Early active, late active, smoldering, inactive, and shadow plaques were distinguished. A total of 2,476 MS white matter plaques were identified. Plaque type distribution was analyzed in relation to clinical data.Results: Active plaques were most often found in early disease, whereas at later stages, smoldering, inactive, and shadow plaques predominated. The presence of early active plaques rapidly declined with disease duration. Plaque type distribution differed significantly by clinical course. The majority of plaques in acute monophasic and relapsing-remitting MS (RRMS) were active. Among secondary progressive MS (SPMS) cases with attacks, all plaque types could be distinguished including active plaques, in contrast to SPMS without attacks, in which inactive plaques predominated. Smoldering plaques were frequently and almost exclusively found in progressive MS. At 47 years of age, an equilibrium was observed between active and inactive plaques, whereas smoldering plaques began to peak. Men displayed a higher proportion of smoldering plaques.Interpretation: Disease duration, clinical course, age, and gender contribute to the dynamic nature of white matter MS pathology. Active MS plaques predominate in acute and early RRMS and are the likely substrate of clinical attacks. Progressive MS transitions to an accumulation of smoldering plaques characterized by microglial activation and slow expansion of pre-existing plaques. Whether current MS therapeutics impact this pathological driver of disease progression remains uncertain. [ABSTRACT FROM AUTHOR]

Post-translational modification of substrate proteins by small ubiquitin-like modifier (SUMO) regulates a vast array of cellular processes. SUMOylation occurs through three sequential enzymatic steps termed E1, E2 and E3. Substrate selection can be determined through interactions between the target protein and the SUMO E2 conjugating enzyme Ubc9 and specificity can be enhanced by substrate interactions with E3 ligase enzymes. We used the putative substrate recognition (PINIT) domain from the SUMO E3 PIAS3 as bait to identify potential SUMO substrates. One protein identified was Argonaute-2 (Ago2), which mediates RNA-induced gene silencing through binding small RNAs and promoting degradation of complimentary target mRNAs. We show that Ago2 can be SUMOylated in mammalian cells by both SUMO1 and SUMO2. SUMOylation occurs primarily at K402, and mutation of the SUMO consensus site surrounding this lysine reduces Ago2-mediated siRNA-induced silencing in a luciferase-based reporter assay. These results identify SUMOylation as a potential regulator of Ago2 activity and open new avenues for research into the mechanisms underlying the regulation of RNA-induced gene silencing. [ABSTRACT FROM AUTHOR]

Two ruthenium(II) polypyridyl complexes were prepared with the {Ru(phen)2}2+ moiety and a third sterically non-hindering bidentate ligand, namely 2,2′-dipyridylamine (dpa) and N-benzyl-2,2′-dipyridylamine (Bndpa). Hence, complexes [Ru(phen)2(dpa)](PF6)2 (1) and [Ru(phen)2(Bndpa)](PF6)2 (2) were characterized and their photochemical behaviour in solution (acetonitrile and water) was subsequently investigated. Compounds 1 and 2, which do not exhibit notably distorted octahedral coordination environments, contrarily to the homoleptic "parent" compound [Ru(phen)3](PF6)2, experience two-step photoejection of the dpa and Bndpa ligand upon irradiation (1050–430 nm) for several hours. DNA-binding studies revealed that compounds 1 and 2 affect the biomolecule differently upon irradiation; while 2 solely modifies its electrophoretic mobility, complex 1 is also capable of cleaving it. In vitro cytotoxicity studies with two cancer-cell lines, namely A549 (lung adenocarcinoma) and A375 (melanoma), showed that both 1 and 2 are not toxic in the dark, while only 1 is significantly cytotoxic if irradiated, 2 remaining non-toxic under these conditions. Light irradiation of the complex cation [Ru(phen)2(dpa)]2+ leads to the generation of transient Ru species that is present in the solution medium for several hours, and that is significantly cytotoxic, ultimately producing non-toxic free dpa and [Ru(phen)(OH2)2]2+. [ABSTRACT FROM AUTHOR]

At subthermal neutron energies, polycrystalline graphite shows a large total cross-section due to small angle scattering processes. In this work, a new methodology to determine pore size distributions through the neutron transmission technique at subthermal energies is proposed and its sensitivity is compared with standard techniques. A simple model based on the form factor for spherical particles, normally used in the Small Angle Neutron Scattering technique, is employed to calculate the contribution of small angle effect to the total scattering cross-section, with the width and center of the radii distributions as free parameters in the model. Small Angle X-ray Scattering experiments were performed to compare results as a means to validate the method. The good agreement reached reveals that the neutron transmission technique is a useful tool to explore small angle scattering effects. This fact can be exploited in situations where large samples must be scanned and it is difficult to investigate them with conventional methods. It also opens the possibility to apply this method in energy-resolved neutron imaging. Also, since subthermal neutron transmission experiments are perfectly feasible in small neutron sources, the present findings open new possibilities to the work done in such kind of facilities. [ABSTRACT FROM AUTHOR]

Stacking interactions between substitutedbuckybowls (corannuleneand sumanene) with fullerenes (C60and C70)were studied at the B97-D2/TZVP level of theory. Corannulene and sumanenemonomers were substituted with five and six Br, Cl, CH3, C2H, or CN units, respectively. A comprehensive studywas conducted, analyzing the interaction of corannulenes and sumaneneswith several faces of both fullerenes. According to our results, inall cases substitution gave rise to larger interaction energies ifcompared with those of unsubstituted buckybowls. The increase of dispersionseems to be the main source of the enhanced binding, so an excellentcorrelation between the increase of interaction energy and the increaseof dispersion contribution takes place. One of the noteworthy phenomenathat appears is the so-called CH···π interaction,which is responsible for the strong interaction of sumanene complexes(if compared with that of corannulene complexes). This interactionalso causes the substitution with CH3groups (in whichone of the H atoms points directly to the π cloud of fullerene)to be the most favorable case. This fact can be easily visualizedby noncovalent interaction plots. [ABSTRACT FROM AUTHOR]

Objective: To evaluate treatment options for brainstem cavernous malformations (BSCMs) using the results from a center with long-standing experience in microsurgical resection and Gamma Knife radiosurgery (GKRS) treatment of BSCMs. Methods: Study participants were 67 symptomatic patients with BSCMs who were treated either microsurgically (n = 29) or radiosurgically (n = 38). Patients were followed for a minimum of 2 years (median, 7.7 years). A recent follow-up was performed. Results: Patients receiving surgical treatment had mainly large, superficially seated lesions and experienced preoperative hemorrhages more often and presented with higher preoperative modified Rankin Scale scores. Patients receiving GKRS harbored smaller, deep-seated lesions, reflecting a selection bias. In both treatment groups, patients presented with significantly better modified Rankin Scale scores at follow-up than before intervention. Overall annual preoperative hemorrhage rates were 3.2% in microsurgery patients and 2.3% in radiosurgery patients. In the preoperative observation period, the rehemorrhage rate was 25.1% for microsurgery patients and 7.2% for radiosurgery patients. Hemorrhage rate after GKRS decreased significantly to 0.6% after 2 years. The postoperative hemorrhage rate was 8.8% but only for microsurgery patients with residual lesions. Advancements in microsurgical techniques improved surgical outcomes, resulting in a high total excision rate in the modern era. Conclusions: In the treatment of BSCM, patient selection and timing of surgery are crucial. If applied in a multidisciplinary neurosurgical center, microsurgery and radiosurgery are complementary treatment options that both result in reduced bleeding rates and improvement of clinical outcome. [ABSTRACT FROM AUTHOR]

Highlights: [•] Bi-layer diaphragm wall: sprayed concrete with steel fibres, over a conventional diaphragm wall. [•] Different construction process parameters analyzed through thirty numeric simulations. [•] Main flexural strength provided by the RC layer. [•] Secondary flexural contribution of the sprayed SFRC layer. [•] Bending reinforcement for RC layer reduced up to 7.0% if SFRC layer considered. [Copyright &y& Elsevier]

Acute myeloid leukemia (AML) is the most aggressive type of blood cancer, and there is a continued need for new treatments that are well tolerated and improve long-term survival rates in patients. Induction of differentiation has emerged as a promising alternative to conventional cytotoxic chemotherapy, but known agents lack efficacy in genetically distinct patient populations. Previously, we established a phenotypic screen to identify small molecules that could stimulate differentiation in a range of AML cell lines. Utilising this strategy, a 1,5-dihydrobenzo[e][1,4]oxazepin-2(3H)-one hit compound was identified. Herein, we report the hit validation in vitro, structure-activity relationship (SAR) studies and the pharmacokinetic profiles for selected compounds. [ABSTRACT FROM AUTHOR]

Abstract: An approach to perform elemental quantitative analysis in a conventional scanning electron microscope with an energy dispersive spectrometer has been developed for non-conductive samples in which the conductive coating should be avoided. Charge accumulation effects, which basically decrease the energy of the primary beam, were taken into account by means of the Duane–Hunt limit. This value represents the maximum energy of the continuum X-ray spectrum, and is related to the effective energy of the incident electron beam. To validate the results obtained by this procedure, a non-conductive sample of known composition was quantified without conductive coating. Complementarily, changes in the X-ray spectrum due to charge accumulation effects were studied by Monte Carlo simulations, comparing relative characteristic intensities as a function of the incident energy. This methodology is exemplified here to obtain the chemical composition of white and reddish archaeological pigments belonging to the Ambato style of “Aguada” culture (Catamarca, Argentina 500–1100 AD). The results obtained in this work show that the quantification procedure taking into account the Duane–Hunt limit is suitable for this kind of samples. This approach may be recommended for the quantification of samples for which coating is not desirable, such as ancient artwork, forensic or archaeological samples, or when the coating element is also present in the sample. [Copyright &y& Elsevier]

Abstract: Zoning patterns in plagioclases are related to abrupt changes in the anorthite content along the crystal growing direction. Accurate characterization of these patterns by electron microprobe is useful to identify magma chamber processes such as recharge, mingling and whole-chamber overturn events. In this work, a new procedure to obtain high resolution quantitative maps of anorthite concentration in single plagioclase crystals is developed. The methodology consists of performing a calibration of backscattered electron images using quantitative X-ray maps. The ultimate resolution of characteristic X-rays and backscattered electron signals is studied by Monte Carlo simulation. The method is applied to characterize the chemical composition of a volcanic plagioclase from the Cerro Vilama, Argentina. The results obtained are more precise than the values given by the methods commonly used in the study of plagioclase composition, i.e. the classical profiling by electron microprobe point analysis or the modern backscattered electron image calibration by means of quantitative energy or wavelength dispersive X-ray analysis at a few selected points. [Copyright &y& Elsevier]

Abstract: The performance of a variety of DFT-D functionals with empirical dispersion correction (B97-D, PBE-D, B-LYP-D, BP86-D) and specialized functionals for the treatment the non-covalent interactions (M05-2X, M06-2X) has been evaluated on four representative groups of complexes with π⋯π interactions: (1) dispersion–dominated complexes taken from the S22 database; (2) complexes with eclipsed planar polycyclic aromatic hydrocarbons, PAHs; (3) complexes with curved PAHs; (4) mixed complexes made up by planar and curved PAHs. Our study shows that, in general, calculations employing DFT-D functionals provide more accurate interaction energies than those from M05-2X and M06-2X. [Copyright &y& Elsevier]