1. |
- Hovmöller, Sven, et al.
(author)
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Structures of pseudo-decagonal approximants in Al-Co-Ni
- 2012
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In: Philosophical Transactions. Series A. - : The Royal Society. - 1364-503X .- 1471-2962. ; 370:1969, s. 2949-2959
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Journal article (peer-reviewed)abstract
- Quasi-crystals shocked the crystallographic world when they were reported in 1984. We now know that they are not a rare exception, and can be found in many alloy systems. One of the richer systems for quasi-crystals and their approximants is Al-Co-Ni. A large series of pseudo-decagonal (PD) approximants have been found. Only two of them, PD4 and PD8, have been solved by X-ray crystallography. We report here the structures of PD1, PD2, PD3 and PD5, solved from the limited information that is provided by electron diffraction patterns, unit cell dimensions and high-resolution electron microscopy images.
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2. |
- Abdel-Magied, Ahmed Fawzy, et al.
(author)
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Hierarchical porous zeolitic imidazolate framework nanoparticles for efficient adsorption of rare-earth elements
- 2019
-
In: Microporous and Mesoporous Materials. - : Elsevier. - 1387-1811 .- 1873-3093. ; 278, s. 175-184
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Journal article (peer-reviewed)abstract
- Hierarchical porous zeolitic imidazolate frameworks nanoparticles (ZIF-8 NPs) were synthesized at room temperature via a template-free approach under dynamic conditions (stirring) using water as a solvent. The ZIF-8 NPs were evaluated as adsorbents for rare earth elements (La3+, Sm3+ and Dy3+). Adsorption equilibrium was reached after 7h and high adsorption capacities were obtained for dysprosium and samarium (430.4 and 281.1 mg g(-1), respectively) and moderate adsorption capacity for lanthanum (28.8 mg g(-1)) at a pH of 7.0. The high adsorption capacitiese, as well as the high stability of ZIF-8 NPs, make the hierarchical ZIF-8 materials as an efficient adsorbent for the recovery of La3+, Sm3+ and Dy3+ from aqueous solution.
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3. |
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4. |
- Abdelhamid, Hani Nasser, et al.
(author)
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A Fast and Scalable Approach for Synthesis of Hierarchical Porous Zeolitic Imidazolate Frameworks and One-Pot Encapsulation of Target Molecules
- 2017
-
In: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 56:15, s. 9139-9146
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Journal article (peer-reviewed)abstract
- A trimethylamine (TEA)-assisted synthesis approach that combines the preparation of hierarchical porous zeolitic imidazolate framework ZIF-8 nanoparticles and one-pot encapsulation of target molecules is presented. Two dye molecules, rhodamine B (RhB) and methylene blue (MB), and one protein (bovine serum albumin, BSA) were tested as the target molecules. The addition of TEA into the solution of zinc nitrate promoted the formation of ZnO nanocrystals, which rapidly transformed to ZIF-8 nanoparticles after the addition of the linker 2-methylimidazole (Hmim). Hierarchical porous dye@ZIF-8 nanoparticles with high crystallinity, large BET surface areas (1300–2500 m2/g), and large pore volumes (0.5–1.0 cm3/g) could be synthesized. The synthesis procedure was fast (down to 2 min) and scalable. The Hmim/Zn ratio could be greatly reduced (down to 2:1) compared to previously reported ones. The surface areas, and the mesopore size, structure, and density could be modified by changing the TEA or dye concentrations, or by postsynthetic treatment using reflux in methanol. This synthesis and one-pot encapsulation approach is simple and can be readily scaled up. The photophysical properties such as lifetime and photostability of the dyes could be tuned via encapsulation. The lifetimes of the encapsulated dyes were increased by 3–27-fold for RhB@ZIF-8 and by 20-fold for MB@ZIF-8, compared to those of the corresponding free dyes. The synthesis approach is general, which was successfully applied for encapsulation of protein BSA. It could also be extended for the synthesis of hierarchical porous cobalt-based ZIF (dye@ZIF-67).
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5. |
- Abdelhamid, Hani Nasser, et al.
(author)
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A water-stable lanthanide metal-organic framework for fluorimetric detection of ferric ions and tryptophan
- 2017
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In: Microchimica Acta. - : Springer Science and Business Media LLC. - 0026-3672 .- 1436-5073. ; 184:9, s. 3363-3371
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Journal article (peer-reviewed)abstract
- The preparation of a highly water stable and porous lanthanide metal-organic framework (MOF) nanoparticles (denoted SUMOF-7II; SU refers to Stockholm University) is described. SUMOF-7II was synthesized starting from the tritopic linker of 2,4,6-tri-p-carboxyphenyl pyridine (H3L2) and La(III) as metal clusters. SUMOF-7II forms a stable dispersion and displays high fluorescence emission with small variation over the pH range of 6 to 12. Its fluorescence is selectively quenched by Fe(III) ions compared to other metal ions. The intensity of the fluorescene emission drops drops linearly in 16.6–167 μM Fe(III) concentration range, and Stern-Volmer plots are linear. The limit of detection (LOD) is 16.6 μM (at an S/N ratio of >3). This indicator probe can also be used for selective detection of tryptophan among several amino acids. Compared to the free linker H3L2, SUMOF-7II offers improved sensitivity and selectivity of the investigated species.
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6. |
- Abdelhamid, Hani Nasser, 1986-
(author)
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Lanthanide Metal-Organic Frameworks and Hierarchical Porous Zeolitic Imidazolate Frameworks : Synthesis, Properties, and Applications
- 2017
-
Doctoral thesis (other academic/artistic)abstract
- This thesis presents the synthesis, properties, and applications of two important classes of metal-organic frameworks (MOFs); lanthanide MOFs and hierarchical porous zeolitic imidazolate frameworks (ZIFs). The materials have been characterized using a wide range of techniques including diffraction, imaging, various spectroscopic techniques, gas sorption, dynamical light scattering (DLS) and thermogravimetric analysis (TGA).In Chapter 1, the unique features of MOFs and ZIFs as well as their potential applications are summarized. In Chapter 2, different characterization techniques are presented.Chapter 3 describes a family of new isoreticular lanthanide MOFs synthesized using tri-topic linkers of different sizes, H3L1-H3L4, denoted SUMOF-7I-IV (Ln) (SU; Stockholm University, Ln = La, Ce, Pr, Nd, Sm, Eu and Gd, Paper I). The SUMOF-7I-III (Ln) contain permanent pores and exhibit exceptionally high thermal and chemical stability. The luminescence properties of SUMOF-7IIs are reported (Paper II). The influences of Ln ions and the tri-topic linkers as well as solvent molecules on the luminescence properties are investigated. Furthermore, the potential of SUMOF-7II (La) for selective sensing of Fe (III) ions and the amino acid tryptophan is demonstrated (Paper III). Chapter 4 presents a simple, fast and scalable approach for the synthesis of hierarchical porous zeolitic imidazolate framework ZIF-8 and ZIF-67 using triethylamine (TEA)-assisted approach (Paper IV). Organic dye molecules and proteins are encapsulated directly into the ZIFs using the one-pot method. The photophysical properties of the dyes are improved through the encapsulation into ZIF-8 nanoparticles (Paper IV). The porosity and surface area of the ZIF materials can be tuned using the different amounts of dye or TEA. To further simplify the synthesis of hierarchical porous ZIF-8, a template-free approach is presented using sodium hydroxide, which at low concentrations induces the formation of zinc hydroxide nitrate nanosheets that serve as in situ sacrificial templates (Chapter 5, Paper V). A 2D leaf-like ZIF (ZIF-L) is also obtained using the method. The hierarchical porous ZIF-8 and ZIF-L show good performance for CO2 sorption.
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7. |
- Abdelhamid, Hani Nasser, et al.
(author)
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Luminescence properties of a family of lanthanide metal-organic frameworks
- 2019
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In: Microporous and Mesoporous Materials. - : Elsevier BV. - 1387-1811 .- 1873-3093. ; 279, s. 400-406
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Journal article (peer-reviewed)abstract
- Two isostructural series of lanthanide metal-organic frameworks denoted as SUMOF-7II (Ln) and SUMOF-7IIB (Ln) (Ln = La, Ce, Pr, Nd, Sm, Eu, and Gd) were synthesized using4,4',4 ''-(pyridine-2,4,6-triyl)tris(benzoic acid) (H(3)L2) and a mixture of H(3)L2 and 4,4',4 ''-(benzene-1,3,5-triyl)tris(benzoic acid) (H3BTB) as linkers, respectively. Both series were characterized using powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), thermal analysis (TGA), and photoluminescence spectroscopy. Photoluminescence measurements show that Eu-MOFs demonstrate a red emission while Pr- and Nd-MOFs display an emission in the near-infrared (NIR) range. On the other hand, La-, Ce-, Sm- and Gd-MOFs exhibit only a ligand-centered emission. The average luminescence lifetimes in the SUMOF-7IIB series are 1.3-1.4-fold longer than the corresponding ones in the SUMOF-7II series. SUMOF-7IIs show a good photo- and thermal stability. Altogether, the properties of SUMOF-7II and SUMOF-7IIB render them promising materials for applications including sensing, biosensing, and telecommunications.
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8. |
- Abdelhamid, Hani Nasser, et al.
(author)
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Template-free and room temperature synthesis of hierarchical porous zeolitic imidazolate framework nanoparticles and their dye and CO2 sorption
- 2018
-
In: Green Chemistry. - : Royal Society of Chemistry (RSC). - 1463-9262 .- 1463-9270. ; 20:5, s. 1074-1084
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Journal article (peer-reviewed)abstract
- Hierarchical porous zeolitic imidazolate framework ZIF-8 nanoparticles have been synthesized using zinc nitrate, 2-methylimidazole (Hmim), and sodium hydroxide. Zinc hydroxide nitrate nanosheets were formed as intermediates that further transformed to hierarchical porous ZIF-8 after the addition of Hmim. These intermediates serve as in situ sacrificial templates and promote the formation of hierarchical porous ZIF-8 without the need for any other templates. The surface area and mesoporosity of the materials can be tuned by adjusting the concentration of NaOH. This method offers a fast and template-free approach for the synthesis of pure hierarchical porous ZIF-8 at room temperature with tunable porosity. The approach has been applied to synthesize two-dimensional ZIF leaf-like materials, ZIF-L. The synthesis of ZIF-8 and ZIF-L can be scaled up with high yields (>80%). The resulting ZIF-8 and ZIF-L materials show very good CO2 sorption properties. ZIF-8 nanoparticles show fast (<5 min), selective, and high efficiency (>95%) uptake of methyl blue in aqueous solution both without and in the presence of other dyes. The results open a new avenue for the understanding of the self-assembly and the formation of hierarchical porous ZIFs.
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9. |
- Abdelhamid, Hani Nasser, et al.
(author)
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Towards implementing hierarchical porous zeolitic imidazolate frameworks in dye-sensitized solar cells
- 2019
-
In: Royal Society Open Science. - : Royal Society Publishing. - 2054-5703. ; 6:7
-
Journal article (peer-reviewed)abstract
- A one-pot method for encapsulation of dye, which can be applied for dye-sensitized solar cells (DSSCs), and synthesis of hierarchical porous zeolitic imidazolate frameworks (ZIF-8), is reported. The size of the encapsulated dye tunes the mesoporosity and surface area of ZIF-8. The mesopore size, Langmuir surface area and pore volume are 15 nm, 960-1500 m(2). g(-1) and 0.36-0.61 cm(3). g(-1), respectively. After encapsulation into ZIF-8, the dyes show longer emission lifetimes (greater than 4-8-fold) as compared to the corresponding non-encapsulated dyes, due to suppression of aggregation, and torsional motions.
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10. |
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11. |
- Ashour, Radwa M., et al.
(author)
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Rare Earth Ions Adsorption onto Graphene Oxide Nanosheets
- 2017
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In: Solvent extraction and ion exchange. - : Informa UK Limited. - 0736-6299 .- 1532-2262. ; 35:2, s. 91-103
-
Journal article (peer-reviewed)abstract
- Graphene oxide (GO) was synthesized and used as a coagulant of rare earth elements (REEs) from aqueous solution. Stability and adsorption capacities were exhibited for target REEs such as La(III), Nd(III), Gd(III), and Y(III). The parameters influencing the adsorption capacity of the target species including contact time, pH, initial concentration, and temperature were optimized. The adsorption kinetics and thermodynamics were studied. The method showed quantitative recovery (99%) upon desorption using HNO3 acid (0.1 M) after a short contact time (15 min).
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12. |
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13. |
- Bae, Juna, et al.
(author)
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Phase Transformation Behavior of a Two-Dimensional Zeolite
- 2019
-
In: Angewandte Chemie International Edition. - : Wiley. - 1433-7851 .- 1521-3773. ; 58:30, s. 10230-10235
-
Journal article (peer-reviewed)abstract
- Understanding the molecular-level mechanisms of phase transformation in solids is of fundamental interest for functional materials such as zeolites. Two-dimensional (2D) zeolites, when used as shape-selective catalysts, can offer improved access to the catalytically active sites and a shortened diffusion length in comparison with their 3D analogues. However, few materials are known to maintain both their intralayer microporosity and structure during calcination for organic structure-directing agent (SDA) removal. Herein we report that PST-9, a new 2D zeolite which has been synthesized via the multiple inorganic cation approach and fulfills the requirements for true layered zeolites, can be transformed into the small-pore zeolite EU-12 under its crystallization conditions through the single-layer folding process, but not through the traditional dissolution/recrystallization route. We also show that zeolite crystal growth pathway can differ according to the type of organic SDAs employed.
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14. |
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15. |
- Bai, Pu, et al.
(author)
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A Layered Cationic Aluminum Oxyhydroxide as a Highly Efficient and Selective Trap for Heavy Metal Oxyanions
- 2020
-
In: Angewandte Chemie International Edition. - : Wiley. - 1433-7851 .- 1521-3773. ; 59:44, s. 19539-19544
-
Journal article (peer-reviewed)abstract
- Cationic framework materials, especially pure inorganic cationic frameworks that can efficiently and selectively capture harmful heavy metal oxyanions from aqueous solution are highly desired yet scarcely reported. Herein, we report the discovery of a 2D cationic aluminum oxyhydroxide, JU-111, which sets a new benchmark for heavy metal oxyanion sorbents, especially for Cr-VI. Its structure was solved based on 3D electron diffraction tomography data. JU-111 shows fast sorption kinetics (ca. 20 min), high capture capacity (105.4 mg g(-1)), and broad working pH range (3-10) toward Cr(VI)oxyanions. Unlike layered double hydroxides (LDHs), which are poorly selective in the presence of CO32-, JU-111 retains excellent selectivity for Cr(VI)even under a large excess of CO32-. These superior features coupled with the ultra-low cost and environmentally benign nature make JU-111 a promising candidate for toxic metal oxyanion remediation as well as other potential applications.
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16. |
- Bartoszewicz, Agnieszka, 1983-, et al.
(author)
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A Highly Active Bifunctional Iridium Complex with an Alcohol/Alkoxide-Tethered N-Heterocyclic Carbene for Alkylation of Amines with Alcohols
- 2012
-
In: Chemistry - A European Journal. - : Wiley. - 0947-6539 .- 1521-3765. ; 18:45, s. 14510-14519
-
Research review (peer-reviewed)abstract
- A series of new iridium(III) complexes containing bidentate N-heterocyclic carbenes (NHC) functionalized with an alcohol or ether group (NHC?OR, R=H, Me) were prepared. The complexes catalyzed the alkylation of anilines with alcohols as latent electrophiles. In particular, biscationic IrIII complexes of the type [Cp*(NHC-OH)Ir(MeCN)]2+2[BF4-] afforded higher-order amine products with very high efficiency; up to >99?% yield using a 1:1 ratio of reactants and 12.5 mol?% of Ir, in short reaction times (216 h) and under base-free conditions. Quantitative yields were also obtained at 50?degrees C, although longer reaction times (4860 h) were needed. A large variety of aromatic amines have been alkylated with primary and secondary alcohols. The reactivity of structurally related iridium(III) complexes was also compared to obtain insights into the mechanism and into the structure of possible catalytic intermediates. The IrIII complexes were stable towards oxygen and moisture, and were characterized by NMR, HRMS, single-crystal X-ray diffraction, and elemental analyses.
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17. |
- Basnayake, Sajani A., et al.
(author)
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Carbonate-Based Zeolitic Imidazolate Framework for Highly Selective CO2 Capture
- 2015
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In: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 54:4, s. 1816-1821
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Journal article (peer-reviewed)abstract
- In this study, we report the formation of a new crystal structure, ZIF-CO3-1, which results from the reaction of Zn2+, 2-methylimidazole, and carbonate. ZIF-CO3-1 can be synthesized solvothermally in N,N-dimethylformamide (DMF)/water (H2O) or by utilizing of CO2 gas at various temperatures in DMF/H2O or H2O. This reaction selectively consumes CO2 because CO2 is incorporated in the ZIF as carbonate. CO2 can be quantitatively released by acidifying the ZIF. Powder X-ray diffraction, single-crystal X-ray diffraction, FTIR spectroscopy, scanning electron microscopy, elemental analysis, and thermogravimetric analysis were used to characterize the ZIF structure. ZIF-CO3-1 (chemical formula C9H(10)N4O(3)Zn(2)), crystallizes in the orthorhombic crystal system with noncentrosymmetric space group Pba2.
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18. |
- Bengtsson, Viktor E. G., 1989-
(author)
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Crystal Structure Determination by 3D Electron Diffraction — New Software for Facilitating Data Processing
- 2022
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Licentiate thesis (other academic/artistic)abstract
- Three-Dimensional Electron Diffraction (3DED) is a useful technique for determining crystal structures from very small crystals (hundreds of \si{\nano\meter} or less). Examples of such crystals are zeolites, metal-organic frameworks (MOFs), pharmaceuticals, and proteins. Knowledge of the structure is useful for understanding and potentially changing how the material or substance functions. This thesis includes the structure determination of the MOFs CAU-42 and CAU-45 as well as the development of the software \emph{Scipion-ED} in response to challenges during the processing of 3DED data from the two MOFs. Both MOFs displayed correlated disorder, where disorder in one part of the structure influences the configuration of disorder in nearby parts. The influence of the solvent during synthesis on the final structured is also discussed. The development and design of the software \emph{Scipion-ED} is described. It is a graphical user interface based on \emph{scipion-pyworkflow} for workflow-centric data processing. The described implementation includes the foundation for using \emph{Scipion} to process 3DED data, as well as a plugin for processing with \emph{DIALS}. Approaches are also described for extending the software to use \emph{XDS} or other programs.
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19. |
- Bengtsson, Viktor E. G., 1989-, et al.
(author)
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Scipion-ED : a graphical user interface for batch processing and analysis of 3D ED/MicroED data
- 2022
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In: Journal of applied crystallography. - : International Union of Crystallography (IUCr). - 0021-8898 .- 1600-5767. ; 55:3, s. 638-646
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Journal article (peer-reviewed)abstract
- Three-dimensional electron diffraction (3D ED)/microcrystal electron diffraction (MicroED) techniques are gaining in popularity. However, the data processing often does not fit existing graphical user interface software, instead requiring the use of the terminal or scripting. Scipion-ED, described in this article, provides a graphical user interface and extendable framework for processing of 3D ED/MicroED data. An illustrative project is described, in which multiple 3D ED/MicroED data sets collected on tetragonal lysozyme were processed with DIALS through the Scipion-ED interface. The ability to resolve unmodelled features in the electrostatic potential map was compared between three strategies for merging data sets.
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20. |
- Bonneau, Charlotte, et al.
(author)
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Open-Framework Germanate Built from the Hexagonal Packing of Rigid Cylinders
- 2009
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In: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 48:21, s. 9962-9964
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Journal article (peer-reviewed)abstract
- We present a novel open-framework oxide material constructed from Ge10(O,OH)28 (Ge10) oxide clusters prepared via a nonsurfactant route. The material shows two distinct pore windows of 9.43 and 4.65 Å and a low framework density structure of 12.7 Ge atoms per 1000 Å3. The topological study leads to the recognition of a newly observed trinodal 6,7-heterocoordinated net related to the 7-coordinated swh net. The structure displays large rigid cylinders showing features indicating a growth mechanism by hard-sphere packing of the inorganic moiety similar to that observed in mesoporous materials.
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21. |
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22. |
- Bortolini, C., et al.
(author)
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Atomic Structure of Amyloid Crystals
-
Other publication (other academic/artistic)abstract
- A deep understanding of the self-assembly and crystallization of biomolecules as highly ordered biomaterials is crucial to enable the design and the generation of complex functional systems for cutting-edge applications in nanotechnology and biomedicine. In this work, we determined the atomic structure of Aβ16-20 crystals, a fragment of amyloid-β which aberrant folding is linked to the etiology of Alzheimer’s disease, the most common cause of dementia. We detailed the hierarchical aggregation mechanism of Aβ16-20 into highly ordered crystals and revealed that the self-assembly is reversible, leading to the formation of oligomers as an intermediate. Our structural investigation combined with molecular dynamics simulations highlights how a combination of favorable non-covalent interactions drives the efficient fast self-assembly and enhanced stability. We studied the chemical and surface properties of amyloid crystals, including their mechanical properties and their capability to transmit light; the long-rang order of Aβ16-20 crystals enables them to be used as optical waveguide materials for biologically based modulation and sensing. Our results shed new light on pathogenic amyloid assembly at the atomic level and reveal the potential of amyloid crystals for applications in nanotechnology.
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23. |
- Broadhurst, Edward T., et al.
(author)
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Polymorph evolution during crystal growth studied by 3D electron diffraction
- 2020
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In: IUCrJ. - 2052-2525. ; 7, s. 5-9
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Journal article (peer-reviewed)abstract
- 3D electron diffraction (3DED) has been used to follow polymorph evolution in the crystallization of glycine from aqueous solution. The three polymorphs of glycine which exist under ambient conditions follow the stability order beta < alpha < gamma. The least stable beta polymorph forms within the first 3 min, but this begins to yield the alpha-form after only 1 min more. Both structures could be determined from continuous rotation electron diffraction data collected in less than 20 s on crystals of thickness similar to 100 nm. Even though the gamma-form is thermodynamically the most stable polymorph, kinetics favour the alpha-form, which dominates after prolonged standing. In the same sample, some beta and one crystallite of the gamma polymorph were also observed.
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24. |
- Brunatova, Tereza, et al.
(author)
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Study of titanate nanotubes by X-ray and electron diffraction and electron microscopy
- 2014
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In: Materials Characterization. - : Elsevier BV. - 1044-5803 .- 1873-4189. ; 87, s. 166-171
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Journal article (peer-reviewed)abstract
- The structure of titanate nanotubes (Ti-NTs) was studied by a combination of powder X-ray diffraction (PXRD), electron diffraction and high resolution transmission electron microscopy (HRTEM). Ti-NTs are prepared by hydrothermal treatment of TiO2 powder. The structure is identified by powder X-ray diffraction as the one based on the structure of H2Ti2O5 center dot H2O phase. The same structure is obtained by projected potential from HRTEM through-focus image series. The structure is verified by simulated PXRD pattern with the aid of the Debye formula. The validity of the model is tested by computing Fourier transformation of a single nanotube which is proportional to measured electron diffraction intensities. A good agreement of this calculation with measured precession electron diffraction data is achieved.
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25. |
- Bruneau, Alexandre, et al.
(author)
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Synthesis of Benzofurans and Indoles from Terminal Alkynes and Iodoaromatics Catalyzed by Recyclable Palladium Nanoparticles Immobilized on Siliceous Mesocellular Foam
- 2017
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In: Chemistry - A European Journal. - : Wiley. - 0947-6539 .- 1521-3765. ; 23:52, s. 12886-12891
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Journal article (peer-reviewed)abstract
- Herein, we report on the utilization of a heterogeneous catalyst, consisting of Pd nanoparticles supported on a siliceous mesocellular foam (Pd-0-AmP-MCF), for the synthesis of heterocycles. Reaction of o-iodophenols and protected o-iodoanilines with acetylenes in the presence of a Pd nanocatalyst produced 2-substituted benzofurans and indoles, respectively. In general, the catalytic protocol afforded the desired products in good to excellent yields under mild reaction conditions without the addition of ligands. Moreover, the structure of the reported Pd nanocatalyst was further elucidated with extended X-ray absorption fine-structure spectroscopy, and it was proven that the catalyst could be recycled multiple times without significant loss of activity.
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