Connecting microscopic structures, meso-scale assemblies, and macroscopic Architectures in 3D-printed hierarchical porous covalent organic framework foams

The induction of macro and mesopores into two-dimensional porous covalent organic frameworks (COFs) could enhance the exposure of the intrinsic micropores toward the pollutant environment, thereby, improving the performance. However, the challenge is to build a continuous hierarchically porous macro-architecture of crystalline organic materials in the bulk scale. In this regard, we have strategized a novel synthetic method to create hierarchically porous COF foams consisting of ordered micropores (2–2.2 nm) and disordered meso and macropores (50 nm to 200 μm) as well as ordered macropores (1.5 mm to 2 cm). Herein, graphene oxide was used for creating disordered macro and mesopores in COF-GO foams. Considering the rheological features of the precursor hydrogel, we could integrate crystalline and porous COF-GO foams into self-supported three-dimensional (3D)-printed objects with the desired shapes and sizes. Therefore, we have engineered the 3D macro-architecture of COF-GO foams into complex geometries keeping their structural order and continuous porosity intact over a range of more than a million (10–9 m to 10–3 m). The interconnected 3D openings in these COF-GO foams further enhance the rapid and efficient uptake of organic and inorganic pollutants from water (>95% removal within 30 s). The abundant distribution of interconnected macroporous volume (55%) throughout the COF-GO foam matrix enhances the flow of water (1.13 × 10–3 m·s–1) which results in efficient mass transport and adsorption

Enhancing cross-peak intensity in 2D-SLF spectroscopy-The role of equilibrium carbon magnetization in cross polarization experiment

A modification to the standard Hartmann-Hahn cross-polarization experiment has been proposed in which the initial 90 degrees pulses are applied both on the I and S spins. The inclusion of the available equilibrium polarization in the static magnetic field for the S spins is shown to have a beneficial effect for the 2D-SLF experiment, contributing to an increase in the cross-peak intensity and hence to a better resolution of the dipolar cross-peak

Off-Resonance Effects in Two-Dimensional NQR Spectroscopy Using a Single Crystal

Two-dimensional nutation pure NQR experiments on $^{35}Cl$ have been carried out on a single crystal of $NaClO_3$. The 22D nutation experiment separates out different orientations of each chemically equivalent site in a unit cell as a separate frequency in the $\omega _1$ domain. The squares of the observed frequencies lie on a straight line with respect to the squares of the offsets, confirming the expected offset dependence quantitatively. The intercepts at zero offset yield the relative orientations of the efg tensors with respect to the axis of the radiofrequency coil

Optimering av Implanteringsvinkeln för ett Ytåterskapande Talusimplantat : En Studie Utförd med Finita Element Metoden

Osteochondral lesions of the talus (OLTs) are the third most common type of osteochondral lesion and can cause pain and instability of the ankle joint. Episurf Medical AB is a medical technology company that develops individualized implants for patients who are suffering from focal cartilage lesions. Episurf have recently started a project that aims to implement their implantation technique in the treatment of OLTs. This master thesis was a part of Episurf’s talus project and the main goal of the thesis was to find the optimal implantation angle of the Episurf implant when treating OLTs. The optimal implantation angle was defined as the angle that minimized the maximum equivalent (von Mises) strain acting on the implant shaft during the stance phase of a normal gait cycle. It is desirable to minimize the strain acting on the implant shaft, since a reduction of the strain can improve the longevity of the implant. To find the optimal implantation angle a finite element model of an ankle joint treated with the Episurf implant was developed. In the model an implant with a diameter of 12 millimeters was placed in the middle part of the medial side of the talar dome. An optimization algorithm was designed to find the implantation angle, which minimized the maximum equivalent strain acting on the implant shaft. The optimal implantation angle was found to be a sagittal angle of 12.5 degrees and a coronal angle of 0 degrees. Both the magnitude and the direction of the force applied to the ankle joint in the simulated stance phase seemed to influence the maximum equivalent strain acting on the implant shaft. A number of simplifications have been done in the simulation of this project, which might affect the accuracy of the results. Therefore it is recommended that further, more detailed, simulations based on this project are performed in order to improve the result accuracy.Fokala broskskador på talusbenet är den tredje vanligaste typen av fokala broskskador och kan ge upphov till smärta och instabilitet av fotleden. Episurf Medical AB är ett medicintekniskt företag som utvecklar individanpassade implantat för patienter med fokala broskskador. Episurf har nyligen påbörjat ett projekt där deras teknik ska användas i behandlingen av fokala broskskador på talusbenet. Den här masteruppsatsen var en del i Episurfs talusprojekt och dess huvudmål var att finna den optimala implantationsvinkeln av Episurfs implantat i behandlingen av fokala broskskador på talusbenet. Den optimala implanteringsvinkeln definierades som den vinkel som minimerade den effektiva von Mises-töjningen som verkade på implantatskaftet under stance-fasen i en normal gångcykel. Det är eftersträvansvärt att minimera belastningen på implantatskaftet eftersom en reducering av belastningen kan förbättra implantatets livslängd. En finita element-modell av en fotled behandlad med Episurfs implantat utvecklades för att för att finna den optimala implantationsvinkeln. I modellen placerades ett implantat med en diameter på 12 millimeter på mittendelen av talus mediala sida. En optimeringsalgoritm utformades för att finna implantationsvinkeln som minimerade den effektiva von Mises-töjningen på implantatskaftet. Den funna optimala implantationsvinkeln bestod av en vinkel på 12.5 grader i sagittalplan och en vinkel på 0 grader i koronalplan. Både storleken och riktningen på kraften som applicerats på fotleden under den simulerade stance-fasen av gångcykeln verkade påverka belastningen på implantatskaftet. Ett antal förenklingar har gjorts i projektets simuleringar, vilket kan påverka noggrannheten i resultatet. Därför rekommenderas att ytterligare, mer detaljerade simuleringar baserade på det här projektet görs för att förbättra resultatets noggrannhet

MgCl2 center dot 4((CH3)(2)CHCH2OH): A new molecular adduct for the preparation of TiClx/MgCl2 catalyst for olefin polymerization

A new molecular adduct of MgCl2 with isobutanol, namely MgCl2 center dot 4((CH3)(2)CHCH2OH) (MgiBOH), has been prepared as a precursor to the supporting material for an olefin polymerization catalyst. The MgiBOH adduct and final titanated Ziegler-Natta catalysts have been thoroughly characterized by powder XRD, thermal analysis, Raman spectroscopy and solid-state NMR for structural and spectroscopy aspects. A peak observed at 712 cm(-1) in the Raman spectra of MgiBOH indicates the characteristic Mg-O-6 breathing mode and the formation of the adduct. The diffraction feature at 2 theta = 7.8 degrees (d = 11.223 angstrom) in the XRD confirms the adduct formation and the layered structure. The aim of the present article is to study how the insertion of a bulky isobutanol moiety affects the structural and electronic properties of the MgCl2 isobutanol molecular adduct. Indeed, the focus of the present study is to explore how the presence of isobutanol, in the initial molecular adduct, influences the final Z-N catalyst properties and its activity

Cross- and axial-peak intensities in 2D-SLF experiments based on cross-polarization—The role of the initial density matrix

Simulations and experiments on simple oriented systems have been used to estimate the relative ratio of cross-peak to axial-peak intensities in 2D-SLF experiments based on dipolar oscillations during cross-polarization (CP). The density matrix prior to dipolar evolution is considered and for an isolated spin pair, it is shown that direct calculations of the ratios match well with simulations and experimental results. Along with the standard CP pulse sequence, two other pulse sequences namely CP with polarization inversion (PI–CP) and another novel variation of the standard CP experiment (EXE-CP) reported recently have been considered. Inclusion of homonuclear dipolar coupling has been observed to increase the axial-peak intensities. In combination with Lee–Goldburg (LG) decoupling, experiments on an oriented liquid crystalline sample have been carried out and the performance of the pulse schemes have been compared. The applicability of the new pulse sequence for different samples and different nuclei is discussed. Such studies are expected to lead to a better understanding of the experiments and to the design of useful pulse sequences