Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy

The binding motifs in the halide adducts with tyrosine ([Tyr + X]-, X = Cl, Br, I) have been investigated and compared with the analogues with 3-nitrotyrosine (nitroTyr), a biomarker of protein nitration, in a solvent-free environment by mass-selected infrared multiple photon dissociation (IRMPD) spectroscopy over two IR frequency ranges, namely 950–1950 and 2800–3700 cm-1. Extensive quantum chemical calculations at B3LYP, B3LYP-D3 and MP2 levels of theory have been performed using the 6-311++G(d,p) basis set to determine the geometry, relative energy and vibrational properties of likely isomers and interpret the measured spectra. A diagnostic carbonyl stretching band at B1720 cm-1 from the intact carboxylic group characterizes the IRMPD spectra of both [Tyr + X]- and [nitroTyr + X]-, revealing that the canonical isomers (maintaining intact amino and carboxylic functions) are the prevalent structures. The spectroscopic evidence reveals the presence of multiple non-covalent forms. The halide complexes of tyrosine conform to a mixture of plane and phenol isomers. The contribution of phenol-bound isomers is sensitive to anion size, increasing from chloride to iodide, consistent with the decreasing basicity of the halide, with relative amounts depending on the relative energies of the respective structures. The stability of the most favorable phenol isomer with respect to the reference plane geometry is in fact 1.3, -2.1, -6.8 kJ mol-1, for X = Cl, Br, I, respectively. The change in p-acidity by ring nitration also stabilizes anion–p interactions yielding ring isomers for [nitroTyr + X]-, where the anion is placed above the face of the aromatic ring

The power of the teacher: Integrating Latino-themed literature in the K-12 classroom

High quality books with culturally specific themes offer wonderful opportunities to access the background knowledge and personal connections of students with similar cultural heritage. However, the simple addition of the “right” multicultural books in the classroom is not enough to ensure that students engage in deep level responses involving culture. The teacher’s role in such conversations is critical and the focus of this session. Presenters will share examples from their work with students of Mexican origin and Mexican American-themed books published in the U.S. Participants will also have opportunities to take part in Book Clubs using Latino-themed children’s literature, respond to these texts in multiple formats, and examine notable Latino-themed texts

A characterization of Gaucher iPS-derived astrocytes: Potential implications for Parkinson\u27s disease

While astrocytes, the most abundant cells found in the brain, have many diverse functions, their role in the lysosomal storage disorder Gaucher disease (GD) has not been explored. GD, resulting from the inherited deficiency of the enzyme glucocerebrosidase and subsequent accumulation of glucosylceramide and its acylated derivative glucosylsphingosine, has both non-neuronopathic (GD1) and neuronopathic forms (GD2 and 3). Furthermore, mutations in GBA1, the gene mutated in GD, are an important risk factor for Parkinson\u27s disease (PD). To elucidate the role of astrocytes in the disease pathogenesis, we generated iAstrocytes from induced pluripotent stem cells made from fibroblasts taken from controls and patients with GD1, with and without PD. We also made iAstrocytes from an infant with GD2, the most severe and progressive form, manifesting in infancy. Gaucher iAstrocytes appropriately showed deficient glucocerebrosidase activity and levels and substrate accumulation. These cells exhibited varying degrees of astrogliosis, Glial Fibrillary Acidic Protein (GFAP) up-regulation and cellular proliferation, depending on the level of residual glucocerebrosidase activity. Glutamte uptake assays demonstrated that the cells were functionally active, although the glutamine transporter EEAT2 was upregulated and EEAT1 downregulated in the GD2 samples. GD2 iAstrocytes were morphologically different, with severe cytoskeletal hypertrophy, overlapping of astrocyte processes, pronounced up-regulation of GFAP and S100β, and significant astrocyte proliferation, recapitulating the neuropathology observed in patients with GD2. Although astrocytes do not express α-synuclein, when the iAstrocytes were co-cultured with dopaminergic neurons generated from the same iPSC lines, excessive α-synuclein released from neurons was endocytosed by astrocytes, translocating into lysosomes. Levels of aggregated α-synuclein increased significantly when cells were treated with monomeric or fibrillar α-synuclein. GD1-PD and GD2 iAstrocytes also exhibited impaired Cathepsin D activity, leading to further α-synuclein accumulation. Cytokine and chemokine profiling of the iAstrocytes demonstrated an inflammatory response. Thus, in patients with GBA1-associated parkinsonism, astrocytes appear to play a role in α-synuclein accumulation and processing, contributing to neuroinflammation

A Blueprint to Evaluate One Health

One Health (OH) positions health professionals as agents for change and provides a platform to manage determinants of health that are often not comprehensively captured in medicine or public health alone. However, due to the organization of societies and disciplines, and the sectoral allocation of resources, the development of transdisciplinary approaches requires effort and perseverance. Therefore, there is a need to provide evidence on the added value of OH for governments, researchers, funding bodies, and stakeholders. This paper outlines a conceptual framework of what OH approaches can encompass and the added values they can provide. The framework was developed during a workshop conducted by the “Network for Evaluation of One Health,” an Action funded by the European Cooperation in Science and Technology. By systematically describing the various aspects of OH, we provide the basis for measuring and monitoring the integration of disciplines, sectors, and stakeholders in health initiatives. The framework identifies the social, economic, and environmental drivers leading to integrated approaches to health and illustrates how these evoke characteristic OH operations, i.e., thinking, planning, and working, and require supporting infrastructures to allow learning, sharing, and systemic organization. It also describes the OH outcomes (i.e., sustainability, health and welfare, interspecies equity and stewardship, effectiveness, and efficiency), which are not possible to obtain through sectoral approaches alone, and their alignment with aspects of sustainable development based on society, environment, and economy

Realized and Projected Impacts of U.S. Energy Efficiency Standards for Residential and Commercial Appliances

This study estimated energy, environmental and consumer economic impacts of U.S. Federal residential energy efficiency standards that became effective in the 1988-2006 period, and of energy efficiency standards for fluorescent lamp ballasts and distribution transformers. These standards have been the subject of in-depth analyses conducted as part of DOE's standards rulemaking process. This study drew on those analyses, but updated certain data and developed a common framework and assumptions for all of the products in order to estimate realized impacts and to update projected impacts. It also performed new analysis for the first (1990) fluorescent ballast standards, which had been introduced in the NAECA legislation without a rulemaking. We estimate that the considered standards will reduce residential/ commercial primary energy consumption and carbon dioxide emissions in 2030 by 4percent compared to the levels expected without any standards. The reduction for the residential sector is larger, at 8percent. The estimated cumulative energy savings from the standards amount to 39 quads by 2020, and 63 quads by 2030. The standards will also reduce emissions of carbon dioxide by considerable amounts.The estimated cumulative net present value of consumer benefit amounts to $241 billion by 2030, and grows to$269 billion by 2045. The overall ratio of consumer benefits to costs (in present value terms) in the 1987-2050 period is 2.7 to 1. Although the estimates made in this study are subject to a fair degree of uncertainty, we believe they provide a reasonable approximation of the national benefits resulting from Federal appliance efficiency standards

Quantifying range-wide variation in population trends from local abundance surveys and widespread opportunistic occurrence records

1. Species’ abundances vary in space and time. Describing these patterns is a cornerstone of macroecology. Moreover, trends in population size are an important criterion for the assessment of a species’ conservation status. Because abundance trends are not homogeneous in space, we need to quantify variation in abundance trends across the geographical range of a species. A basic difficulty exists in that data sets that cover large geographic areas rarely include population abundance data at high temporal resolution. Whilst both broad-scale geographic distribution data and site-specific population trend data are becoming more widely available, approaches are required which integrate these different types of data. 2. We present a hierarchical model that integrates observations from multiple sources to estimate spatio-temporal abundance trends. The model links annual population densities on a spatial grid to both long-term count data and to opportunistic occurrence records from a citizen science programme. Specific observation models for both data types explicitly account for differences in data structure and quality. 3. We test this novel method in a virtual study with simulated data and apply it to the estimation of abundance dynamics across the range of a butterfly species (Pyronia tithonus) in Great Britain between 1985 and 2004. The application to simulated and real data demonstrates how the hierarchical model structure accommodates various sources of uncertainty which occur at different stages of the link between observational data and the modelled abundance, thereby it accounts for these uncertainties in the inference of abundance variations. 4. We show that by using hierarchical observation models that integrate different types of commonly available data sources, we can improve the estimates of variation in species abundances across space and time. This will improve our ability to detect regional trends and can also enhance the empirical basis for understanding range dynamics

Antioxidant and Functional Features of Pre-Fermented Ingredients Obtained by the Fermentation of Milling By-Products

The use of milling by-products as ingredients in food formulations has increased gradually over the past years, due to their well-recognized health properties. Fermentation performed with selected microbial strains or microbial consortia is the most promising way to reduce antinutritional factors of cereals and bran, while increasing their nutritional and functional properties. This work, developed within the BBI project INGREEN, was aimed to study the functional, nutritional and technological features of a pre-fermented ingredient obtained from the fermentation of a mixture of rye bran and wheat germ by a selected microbial consortium composed of yeasts (Kazachstania unispora and Kazachstania servazii) and lactic acid bacteria (Latilactobacillus curvatus) using as reference the unfermented mixture and the same mixture fermented by a baker’s yeast. The selected microbial consortium improved the complexity of the volatile molecules such as acids, alcohols and esters. A better retention of color parameters was maintained compared to the product fermented by a baker’s yeast. In addition, the fermentation by the selected consortium showed a significant increase in short chain fatty acids (more than 5-fold), antioxidant activity (22– 24%), total phenol content (53–71%), bioactive peptides (39–52%), a reduction of 20–28% in phytic acid content and an increase in prebiotic activity not only compared to the unfermented product but also compared to the preferment obtained with a baker’s yeast. Overall, the fermentation by the selected microbial consortium can be considered a valuable way to valorize milling by-products and promote their exploitation as food ingredients

View From Below: Inferring Behavior and Physiology of Southern Ocean Marine Predators From Dive Telemetry

Air-breathing marine animals, such as seals and seabirds, undertake a special form of central-place foraging as they must obtain their food at depth yet return to the surface to breathe. While telemetry technologies have advanced our understanding of the foraging behavior and physiology of these marine predators, the proximate and ultimate influences controlling the diving behavior of individuals are still poorly understood. Over time, a wide variety of analytical approaches have been developed for dive data obtained via telemetry, making comparative studies and syntheses difficult even amongst closely-related species. Here we review publications using dive telemetry for 24 species (marine mammals and seabirds) in the Southern Ocean in the last decade (2006–2016). We determine the key questions asked, and examine how through the deployment of data loggers these questions are able to be answered. As part of this process we describe the measured and derived dive variables that have been used to make inferences about diving behavior, foraging, and physiology. Adopting a question-driven orientation highlights the benefits of a standardized approach for comparative analyses and the development of models. Ultimately, this should promote robust treatment of increasingly complex data streams, improved alignment across diverse research groups, and also pave the way for more integrative multi-species meta-analyses. Finally, we discuss key emergent areas in which dive telemetry data are being upscaled and more quantitatively integrated with movement and demographic information to link to population level consequences

(5S,6R)-5-Methyl-6-phenyl-4-propyl-1,3,4-oxadiazinane-2-thione

The title mol­ecule, C13H18N2OS, is an oxadiazinanthione derived from (1R,2S)-norephedrine. There are two molecules in the asymmetric. Both adopt roughly half-chair conformations; however, the 5-position carbon orients out of opposite faces of the oxadiazinanthiones plane in the two molecules. In the crystal structure, they are oriented as a dimer linked by a pair of N—H⋯S hydrogen bonds. The absolute configuration has been established from anomalous dispersion and confirms the known stereochemistry based on the synthetic procedure