160 research outputs found

    The Development of Global Science.

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    How do we build research capacity throughout the world and capture the great human potential? To us, the answer is rather straightforward: the time-honored tradition of scientific mentoring must be practiced on a wider scale across borders. Herein, we detail the necessity for expanding mentorship to a global scale and provide several important principles to be considered when designing, planning, and implementing programs and centers of research around the world

    Adsorption Mechanism and Uptake of Methane in Covalent Organic Frameworks: Theory and Experiment

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    We determined the methane (CH_4) uptake (at 298 K and 1 to 100 bar pressure) for a variety of covalent organic frameworks (COFs), including both two-dimensional (COF-1, COF-5, COF-6, COF-8, and COF-10) and three-dimensional (COF-102, COF-103, COF-105, and COF-108) systems. For all COFs, the CH_4 uptake was predicted from grand canonical Monte Carlo (GCMC) simulations based on force fields (FF) developed to fit accurate quantum mechanics (QM) [second order Møller−Plesset (MP2) perturbation theory using doubly polarized quadruple-ζ (QZVPP) basis sets]. This FF was validated by comparison with the equation of state for CH_4 and by comparison with the experimental uptake isotherms at 298 K (reported here for COF-5 and COF-8), which agrees well (within 2% for 1−100 bar) with the GCMC simulations. From our simulations we have been able to observe, for the first time, multilayer formation coexisting with a pore filling mechanism. The best COF in terms of total volume of CH_4 per unit volume COF absorbent is COF-1, which can store 195 v/v at 298 K and 30 bar, exceeding the U.S. Department of Energy target for CH_4 storage of 180 v/v at 298 K and 35 bar. The best COFs on a delivery amount basis (volume adsorbed from 5 to 100 bar) are COF-102 and COF-103 with values of 230 and 234 v(STP: 298 K, 1.01 bar)/v, respectively, making these promising materials for practical methane storage

    Covalent Organic Frameworks as Exceptional Hydrogen Storage Materials

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    We report the H_2 uptake properties of six covalent organic frameworks (COFs) from first-principles-based grand canonical Monte-Carlo simulations. The predicted H_2 adsorption isotherm is in excellent agreement with the only available experimental result (3.3 vs 3.4 wt % at 50 bar and 77 K for COF-5), also reported here, validating the predictions. We predict that COF-105 and COF-108 lead to a reversible excess H_2 uptake of 10.0 wt % at 77 K, making them the best known storage materials for molecular hydrogen at 77 K. We predict that the total H_2 uptake for COF-108 is 18.9 wt % at 77 K. COF-102 shows the best volumetric performance, storing 40.4 g/L of H_2 at 77 K. These results indicate that the COF systems are most promising candidates for practical hydrogen storage

    Effect of Consumption Values on Consumer Satisfaction and Brand Commitment: Investigating Functional, Emotional, Social, and Epistemic Values in the Running Shoes Market

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    Firms can acquire sustainable competitive advantages by managing brand relationships and consumption values. However, previous studies do not compare consumption value with consumer satisfaction and brand commitment. Consumption value theory postulates that functional, emotional, social, and epistemic values enhance brand relationships. However, the most effective element of consumption values on consumer satisfaction or brand commitment is different. Specifically regarding running shoes, this article empirically compares functional, emotional, social, and epistemic values with consumer satisfaction and brand commitment. Using a mediated–moderation regression model, this article collected 844 Japanese samples from a marathon in Kobe, Japan, and tested how multiple consumption values affected consumer satisfaction and brand commitment, moderated by age. The results show that consumption values except epistemic value have positive effects on consumer satisfaction and brand commitment. In particular, this article uncovers the moderating effect of age in social values and consumer satisfaction. Specifically, social values affect consumer satisfaction when consumers are under 39 years old. This paper also found that functional value and social value have the strongest effect on consumer satisfaction and brand commitment, respectively, compared with other values. Contravening consumption value theory, our data suggests that epistemic value impedes brand commitment. Keywords: Consumption Values Theory, Consumer Satisfaction, Brand Commitment, Running Shoes JEL Classifications: M10, M21, M31 DOI: https://doi.org/10.32479/irmm.871

    Covalent Organic Frameworks as Exceptional Hydrogen Storage Materials

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    We report the H_2 uptake properties of six covalent organic frameworks (COFs) from first-principles-based grand canonical Monte-Carlo simulations. The predicted H_2 adsorption isotherm is in excellent agreement with the only available experimental result (3.3 vs 3.4 wt % at 50 bar and 77 K for COF-5), also reported here, validating the predictions. We predict that COF-105 and COF-108 lead to a reversible excess H_2 uptake of 10.0 wt % at 77 K, making them the best known storage materials for molecular hydrogen at 77 K. We predict that the total H_2 uptake for COF-108 is 18.9 wt % at 77 K. COF-102 shows the best volumetric performance, storing 40.4 g/L of H_2 at 77 K. These results indicate that the COF systems are most promising candidates for practical hydrogen storage

    Metal-organic and covalent organic frameworks (MOFs and COFs) as adsorbents for environmentally significant gases (H2, CO2, and CH4)

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    A series of metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) possessing various functionalities, pore structures, and surface areas were evaluated for sorption and storage properties of environmentally significant gases (H_2, CO_2, and CH_4). It was concluded that the gas sorption behavior follows a general trend that materials with high surface area show enhanced gas uptake performance. For example, MOF-177 (SA = 5200 m^2/g) captures 7.2 wt% of H_2 at 77 K and 19 wt% of CH_4 at 298 K. In addition, MOF-177 exhibits exceptionally high gravimetric CO_2 uptake up to 120 wt% at 298 K. Similarly, the gas storage capacity for COFs seems to follow the same trend and it is determined by the apparent surface area. The architectural stability of both COFs and MOFs upon high pressure H_2 and CH_4 gas sorption measurements were manifested by isotherms which reach saturation without significant hysteresis

    Design principles for the ultimate gas deliverable capacity material: nonporous to porous deformations without volume change

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    Understanding the fundamental limits of gas deliverable capacity in porous materials is of critical importance as it informs whether technical targets (e.g., for on-board vehicular storage) are feasible. High-throughput screening studies of rigid materials, for example, have shown they are not able to achieve the original ARPA-E methane storage targets, yet an interesting question remains: what is the upper limit of deliverable capacity in flexible materials? In this work we develop a statistical adsorption model that specifically probes the limit of deliverable capacity in intrinsically flexible materials. The resulting adsorption thermodynamics indicate that a perfectly designed, intrinsically flexible nanoporous material could achieve higher methane deliverable capacity than the best benchmark systems known to date with little to no total volume change. Density functional theory and grand canonical Monte Carlo simulations identify a known metal–organic framework (MOF) that validates key features of the model. Therefore, this work (1) motivates a continued, extensive effort to rationally design a porous material analogous to the adsorption model and (2) calls for continued discovery of additional high deliverable capacity materials that remain hidden from rigid structure screening studies due to nominal non-porosity

    Thymidine Catabolism as a Metabolic Strategy for Cancer Survival

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    Thymidine phosphorylase (TP), a rate-limiting enzyme in thymidine catabolism, plays a pivotal role in tumor progression; however, the mechanisms underlying this role are not fully understood. Here, we found that TP-mediated thymidine catabolism could supply the carbon source in the glycolytic pathway and thus contribute to cell survival under conditions of nutrient deprivation. In TP-expressing cells, thymidine was converted to metabolites, including glucose 6-phosphate, lactate, 5-phospho-α-D-ribose 1-diphosphate, and serine, via the glycolytic pathway both in vitro and in vivo. These thymidine-derived metabolites were required for the survival of cells under low-glucose conditions. Furthermore, activation of thymidine catabolism was observed in human gastric cancer. These findings demonstrate that thymidine can serve as a glycolytic pathway substrate in human cancer cells
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