Core–shell adsorbents by electrospun MOF-polymer composites with improved adsorption properties: Theory and experiments

A new class of core–shell adsorbents has been created by electrospun metal–organic framework (MOF) particles embedded in polymer nanofibers, which have provided many unique properties compared to the existing MOF coating technologies. For the first time, we demonstrate the improved adsorption selectivity of CO₂ over N₂ using electrospun polymer/ZIF-8 adsorbents in experiments. Furthermore, an analytical model based on the assumption that the diffusivity in core is 10 times higher than that in shell is developed to describe the theory of improved selectivity for core–shell adsorbents that is validated against a more accurate finite element model developed in COMSOL. Our model shows three regimes including exclusive shell uptake, linear core uptake, and asymptotic core uptake. These regimes are related to material properties and uptake times, which could be used as design criteria to balance core stability, maximum selectivity, and maximum uptake. An advanced HAADF STEM tomography (Movie S1 ) shows that the shell thickness in the case of polymer/ZIF-8 is on the order of 10 nm, allowing the regime of maximum selectivity to be realized. Kinetically limited adsorption tests at 45°C demonstrate that these composite fibers can perform in a regime of selectivity and uptake for the separation of CO₂ and N₂ that is unobtainable by either the MOF or fiber independently, showing a great potential for postcombustion CO₂ capture.     

Epilepsy in very preterm infants: neonatal cranial ultrasound reveals a high-risk subcategory

Osteoporotic fractures, and in particular, hip fractures result in significant morbidity and mortality. Low bone mass is the main risk factor of enhanced bone fragility, resulting in an increased risk for hip fracture. Bone density of osteoporotic women with and without hip fractures show a considerable overlap. Therefore, other bone-independent factors also play an important role for the development of hip- and other osteoporotic fractures. One other important factor is falling. In 90% of hip fractures falling was involved [10-15], but only 5% or less of these falls resulted in a subsequent fracture. The view that adequate exercise is beneficial for skeletal health of children and for prevention and treatment of osteoporosis in adults is supported primarily by two lines of evidence: longitudinal and cross-sectional trials in children and young adult athletes showing a significant increase of muscle- and bone mass after strenuous (children) or chronic exercise (athletes) as compared to normally active (children) or sedentary control subjects. What are the potential benefits and limits of specific exercise programs with respect to bone mass, prevention of falls and fractures? In this review these questions are discussed and a specific exercise program in osteoporotic patients with fractures is delineated.     

Synthesis and antiplatelet, antiinflammatory, and antiallergic activities of substituted 3-chloro-5,8-dimethoxy-1,4-naphthoquinone and related compounds

2-Amino (6), 2-alkylamino (7-8), 2-methoxy (9), 2-acetamido (10), and 5,8-diacetoxy (11) derivatives of the lead compound 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone (4) were synthesized, together with 6,7-dichloro-5,8dimethoxy-1,4-naphthoquinone (5), a positional isomer of 4. Antiplatelet, antiinflammatory, and antiallergic activities were evaluated, and most compounds were quite potent in all assays. Compounds 5 and 9-11 were especially active; however, 5 was ineffective against neutrophil superoxide formation, and 10 was ineffective against mast cell degranulation.     

Simulation Based Investigation of Triple Heterojunction TFET (THJ-TFET) for Low Power Applications

Silicon - We designed a new model tunnel field-effect transistor (TFET) based on Triple Heterojunction Tunnel Field Effect Transistor (THJ-TFET) is investigated and designed in this paper. This...     

A non‐isothermal finite element model for injection stretch‐blow molding of PET bottles with parametric studies

A non‐isothermal finite element (FE) model for the injection stretch‐blow molding (ISBM) process of polyethylene terephthalate (PET) bottles is presented in this paper. The constitutive behavior of PET is modeled by the physically based Buckley glass‐rubber model in form of UMAT in ABAQUS. The heat transfer between the stretch rod, the preform, and the mold is modeled. Particular attention is paid to thermal and contact modeling, material model, and selection of proper element types. Extensive FE simulations are carried out to model ISBM of a 20 g‐330 ml bottle made in plant tests. Comparisons of numerical results with the measurements demonstrate that the model can satisfactorily predict the bottle thickness and material distributions. Significant nonlinear differentials are found in strain, temperature, and temperature reduction rate in both bottle thickness and length direction during the process. A volume approach is therefore necessary for accurate predictions of final bottle properties because they are governed by orientation and crystallinity, which are highly temperature and strain dependent. Parametric studies on contact modeling and heat transfer coefficient are also conducted and the results are discussed. Polym. Eng. Sci. 44:1379–1390, 2004. © 2004 Society of Plastics Engineers.     

A cobalt metal‐organic framework with small pore size for adsorptive separation of CO2 over N2 and CH4

In this study, a new cobalt‐based metal‐organic framework (MOF), [ (μ₃‐OH)₂(ipa)₅(C₃O₂)(DMF)₂] (CoIPA) was synthesized. The crystal structure analysis shows that CoIPA is constructed by Co₆(μ₃‐OH)₂ units linked by isophthalic acid forming a sxb topology and it possesses a small pore size of about 4 Å. The new MOF has been characterized using multiple experimental methods. Monte Carlo and Molecular Dynamic simulations were employed to investigate adsorption equilibrium and kinetics in terms of capacity and diffusivity of CO₂, N₂, and CH₄ on CoIPA. The gas adsorption isotherms collected experimentally were used to verify the simulation results. The activated CoIPA sample exhibits great gas separation ability at ambient conditions for CO₂/N₂ and CO₂/CH₄ with selectivity of around 61.4 and 11.7, respectively. The calculated self‐diffusion coefficients show a strong direction dependent diffusion behavior of target molecules. This high adsorption selectivity for both CO₂/N₂ and CO₂/CH₄ makes CoIPA a potential candidate for adsorptive CO₂ separation. © 2017 American Institute of Chemical Engineers AIChE J, 63: 4532–4540, 2017     

The modification of indium tin oxide with phosphonic acids: mechanism of binding, tuning of surface properties, and potential for use in organic electronic applications

Transparent metal oxides, in particular, indium tin oxide (ITO), are critical transparent contact materials for applications in next-generation organic electronics, including organic light emitting diodes (OLEDs) and organic photovoltaics (OPVs). Understanding and controlling the surface properties of ITO allows for the molecular engineering of the ITO-organic interface, resulting in fine control of the interfacial chemistries and electronics. In particular, both surface energy matching and work function compatibility at material interfaces can result in marked improvement in OLED and OPV performance. Although there are numerous ways to change the surface properties of ITO, one of the more successful surface modifications is the use of monolayers based on organic molecules with widely variable end functional groups. Phosphonic acids (PAs) are known to bind strongly to metal oxides and form robust monolayers on many different metal oxide materials. They also demonstrate several advantages over other functionalizing moieties such as silanes or carboxylic acids. Most notably, PAs can be stored in ambient conditions without degradation, and the surface modification procedures are typically robust and easy to employ. This Account focuses on our research studying PA binding to ITO, the tunable properties of the resulting surfaces, and subsequent effects on the performance of organic electronic devices. We have used surface characterization techniques such as X-ray photoelectron spectroscopy (XPS) and infrared reflection adsorption spectroscopy (IRRAS) to determine that PAs bind to ITO in a predominantly bidentate fashion (where two of three oxygen atoms from the PA are involved in surface binding). Modification of the functional R-groups on PAs allows us to control and tune the surface energy and work function of the ITO surface. In one study using fluorinated benzyl PAs, we can keep the surface energy of ITO relatively low and constant but tune the surface work function. PA modification of ITO has resulted in materials that are more stable and more compatible with subsequently deposited organic materials, an effective work function that can be tuned by over 1 eV, and energy barriers to hole injection (OLED) or hole-harvesting (OPV) that can be well matched to the frontier orbital energies of the organic active layers, leading to better overall device properties.     

Humidity Dependence of the Fatigue of High-Strength Fused Silica Optical Fibers

Strength and dynamic fatigue behavior of silica fibers has been measured as a function of ambient humidity. Bare and polymer-coated fibers were compared to determine the influence of the coating. The results verify earlier work that suggests the degradation reaction is approximately second order with respect to humidity. However, we verify this result using rigorous data analysis techniques and, unlike the earlier work, the result is shown to be independent of the form of the kinetic model for crack growth. Trends in the calculated fatigue parameters illustrate that a simple exponential crack growth law best describes the humidity data. No significant differences were found between coated and bare fibers, provided the coated fibers were properly equilibrated. A data analysis methodology is given for obtaining valid reaction orders independently of the crack growth law form.