Database for CO2 separation performances of MOFs based on computational materials screening

Metal-organic frameworks (MOFs) are potential adsorbents for CO2 capture. Because thousands of MOFs exist, computational studies become very useful in identifying the top performing materials for target applications in a time-effective manner. In this study, molecular simulations were performed to screen the MOF database to identify the best materials for CO2 separation from flue gas (CO2/N-2) and landfill gas (CO2/CH4) under realistic operating conditions. We validated the accuracy of our computational approach by comparing the simulation results for the CO2 uptakes, CO2/N-2 and CO2/CH4 selectivities of various types of MOFs with the available experimental data. Binary CO2/N-2 and CO2/CH4 mixture adsorption data were then calculated for the entire MOF database. These data were then used to predict selectivity, working capacity, regenerability, and separation potential of MOFs. The top performing MOF adsorbents that can separate CO2/N-2 and CO2/CH4 with high performance were identified. Molecular simulations for the adsorption of a ternary CO2/N-2/CH4 mixture were performed for these top materials to provide a more realistic performance assessment of MOF adsorbents. The structure-performance analysis showed that MOFs with Delta Q(st)(0) > 30 kJ/mol, 3.8 angstrom 1 g/cm(3) are the best candidates for selective separation of CO2 from flue gas and landfill gas. This information will be very useful to design novel MOFs exhibiting high CO2 separation potentials. Finally, an online, freely accessible database https://cosmoserc.ku.edu.tr was established, for the first time in the literature, which reports all of the computed adsorbent metrics of 3816 MOFs for CO2/N-2, CO2/CH4, and CO2/N-2/CH4 separations in addition to various structural properties of MOFs.European Research Counci

A process for reducing the licensing burden for new products containing depleted uranium.

This report is intended to provide guidance on the process for petitioning the U.S. Nuclear Regulatory Commission (NRC) to initiate a rulemaking that could reduce the licensing burden for new products containing depleted uranium (DU), which are being investigated by the DU Uses Research and Development (R&D) Program at Oak Ridge National Laboratory (ORNL). The focus is on requirements of the NRC rulemaking process applicable to establishing new exemptions or general licenses for products and devices containing source material. NRC policies and guidance regarding such requirements are described, including a 1965 policy statement on approval of new exemptions for products containing radionuclides (''Federal Register'', Volume 30, page 3462 [30 FR 3462]; March 16, 1965) and Regulatory Guide 6.7, which addresses the contents of environmental reports that support rulemaking petitions seeking exemptions for radionuclide-containing products. Methodologies for calculating radiological and nonradiological impacts on human health (i.e., risks) associated with distributing, using, and disposing of DU-containing products are presented. Also, methodologies for completing assessments of the potential effects of accidents involving new DU-containing products and of product misuse are described. The report recommends that the U.S. Department of Energy formulate a regulatory plan for deployment of DU-containing products in areas that are not already radiologically controlled. Such a plan is needed because deployment of new DU-containing products may be difficult under existing NRC licensing requirements. To provide a basis for the regulatory plan, it is recommended that detailed assessments of the radiological and nonradiological risks of distributing, using, and disposing of DU-containing products be conducted. Such assessments should be initiated as soon as sufficient data are available from the ongoing DU Uses R&D Program at ORNL to support the analyses

A textile platform using mechanically reinforced hydrogel fibres towards engineering tendon niche

INTRODUCTION: Tendon injuries can result from tendon overuse or trauma, resulting in substantial pain and disability. Given that natural or surgical repair of tendons lead to a poor outcome in terms of mechanical properties and functionality, there is a great need for tissue engineering strategies. Textile platforms enable the generation of biomimetic constructs [1]. Therefore, the main goal of this study is the development of cell-laden hybrid hydrogel fibers reinforced with a mechanically robust core fiber and their assembly into braided constructs towards replicating tendon mechanical properties and architecture. METHODS: To fabricate mechanically reinforced hydrogel fibres, a commercially available suture was coated using a cell-hydrogel mixture of methacryloyl gelatine (GelMA) and alginate. Composite fibres (CFs) were obtained by ionic crosslinking of alginate followed by photocrosslinking of GelMA. CFs were assembled using braiding technique and the mechanical properties of single fibres and braided constructs were evaluated. Different cells were encapsulated in the hydrogel layer, including MC-3T3, mesenchymal stem cells (MSCs) and human tendon-derived cells (TDCs). Cell viability and metabolic activity were evaluated by LIVE/DEAD staining and presto blue assay of metabolic activity. The expression of tendon-related markers and matrix deposition were also investigated. RESULTS: CFs were fabricated with a GelMA:alginate hydrogel layer and using multifilament twisted cotton or biodegradable suturing threads. The biocompatibility of this system was evaluated on encapsulated cells (Fig.1a). Cells (MC-3T3, MSCs and TDCs) were homogeneously distributed along the hydrogel layer, being viable up to 14 days in culture. In addition, TDCs were spreading inside the hydrogel after less than 48 h. Moreover, to further improve the mechanical properties of CFs, braided constructs were generated (Fig. 1b). Braiding CFs together enhanced their tensile strength and the process did not affect the viability of encapsulated cells.DISCUSSION & CONCLUSIONS: CFs were generated with a load bearing core and a hydrogel layer towards mimicking both mechanical properties and the matrix-rich microenvironment of tendon tissue. Accordingly, cell behaviour can be further modulated by modifying the hydrogel composition or, ultimately, through the addition of bioactive cues. Finally, braiding CFs together allows tuning the mechanical properties of developed constructs to match those of native tendon tissues.Fundação para a Ciência e a Tecnologia in the framework of FCT-POPH-FSE, the PhD grant SFRH/BD/96593/2013 of R.C-

Future therapeutic targets in rheumatoid arthritis?

Rheumatoid arthritis (RA) is a chronic inflammatory disease characterized by persistent joint inflammation. Without adequate treatment, patients with RA will develop joint deformity and progressive functional impairment. With the implementation of treat-to-target strategies and availability of biologic therapies, the outcomes for patients with RA have significantly improved. However, the unmet need in the treatment of RA remains high as some patients do not respond sufficiently to the currently available agents, remission is not always achieved and refractory disease is not uncommon. With better understanding of the pathophysiology of RA, new therapeutic approaches are emerging. Apart from more selective Janus kinase inhibition, there is a great interest in the granulocyte macrophage-colony stimulating factor pathway, Bruton's tyrosine kinase pathway, phosphoinositide-3-kinase pathway, neural stimulation and dendritic cell-based therapeutics. In this review, we will discuss the therapeutic potential of these novel approaches

Deep Annotation of Populus trichocarpa microRNAs from Diverse Tissue Sets

Populus trichocarpa is an important woody model organism whose entire genome has been sequenced. This resource has facilitated the annotation of microRNAs (miRNAs), which are short non-coding RNAs with critical regulatory functions. However, despite their developmental importance, P. trichocarpa miRNAs have yet to be annotated from numerous important tissues. Here we significantly expand the breadth of tissue sampling and sequencing depth for miRNA annotation in P. trichocarpa using high-throughput smallRNA (sRNA) sequencing. miRNA annotation was performed using three individual next-generation sRNA sequencing runs from separate leaves, xylem, and mechanically treated xylem, as well as a fourth run using a pooled sample containing vegetative apices, male flowers, female flowers, female apical buds, and male apical and lateral buds. A total of 276 miRNAs were identified from these datasets, including 155 previously unannotated miRNAs, most of which are P. trichocarpa specific. Importantly, we identified several xylem-enriched miRNAs predicted to target genes known to be important in secondary growth, including the critical reaction wood enzyme xyloglucan endo-transglycosylase/hydrolase and vascular-related transcription factors. This study provides a thorough genome-wide annotation of miRNAs in P. trichocarpa through deep sRNA sequencing from diverse tissue sets. Our data significantly expands the P. trichocarpa miRNA repertoire, which will facilitate a broad range of research in this major model system

A Qualitative Study on Book Clubs and Dialogic Literary Gatherings in Spain and Brazil

ABSTRACT: Some organizations in Spain that seek to foster innovation in reading are keen to establish book clubs or dialogical literary gatherings. However, there are notable differences between these two practices that are not always clear. This paper presents the results of an observational study based on participant observation and interviews with key informants that tackle their similarities and differences in school and social settings. The results show that their differences lie in origin, purpose, methodology, and coordination, among others. The conclusions show different paradigms behind these practices, and organizations should opt for one or the other