Stabilizing defects in metal–organic frameworks: pendant Lewis basic sites as capping agents in UiO-66-type MOFs toward highly stable and defective porous materials

Fast, Caleb D.; Woods, Jason; Lentchner, Jared; Makal, Trevor A.

doi:10.1039/c9dt03004b

Cited by 24 publications

(14 citation statements)

References 64 publications

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“…On the basis of above discussion and combined NMR and mass data, the structure of compound 1 was established to be 2-bromodimethylbenzene-1,4-dioate. To the best of our knowledge, both compounds 1 and 2 have not been described earlier as natural products, while compound 2 has been synthesized previously by many researchers [31][32][33] The structures of the known compounds ( Figure 1) were determined as fucosterol (3) [34][35][36], nhexadecanoic acid, methyl ester (4) [37,38], ꞵ-sitosterol (5) [35,39], cerotic acid (6) [40,41], n-octacos-9enoic acid (7) [42,43], and 11-eicosenoic acid (8) [44,45], on the basis of their spectral data and the comparison of their spectral data with those reported in literature. Compound 2 was obtained as a colorless amorphous powder with the molecular formula C 12 H 13 BrO 4 , deduced from the HR-ESI-MS and 13 C-NMR data ( Figure 1).…”

Section: Structure Elucidation Of Compounds 1-8mentioning

confidence: 99%

α-Glucosidase Inhibition and Molecular Docking Studies of Natural Brominated Metabolites from Marine Macro Brown Alga Dictyopteris hoytii

et al. 2019

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Bioassay guided isolation of the methanolic extract of marine macro brown alga Dictyopteris hoytii afforded one new metabolite (ethyl methyl 2-bromobenzene 1,4-dioate, 1), one new natural metabolite (diethyl-2-bromobenzene 1,4-dioate, 2) along with six known metabolites (3–8) reported for the first time from this source. The structure elucidation of all these compounds was achieved by extensive spectroscopic techniques including 1D (1H and 13C) and 2D (NOESY, COSY, HMBC and HSQC) NMR and mass spectrometry and comparison of the spectral data of known compounds with those reported in literature. The in vitro α-glucosidase inhibition studies confirmed compound 7 to be the most active against α-glucosidase enzyme with IC50 value of 30.5 ± 0.41 μM. Compounds 2 and 3 demonstrated good inhibition with IC50 values of 234.2 ± 4.18 and 289.4 ± 4.91 μM, respectively, while compounds 1, 5, and 6 showed moderate to low inhibition. Furthermore, the molecular docking studies of the active compounds were performed to examine their mode of inhibition in the binding site of the α-glucosidase enzyme.

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Section: Structure Elucidation Of Compounds 1-8mentioning

confidence: 99%

α-Glucosidase Inhibition and Molecular Docking Studies of Natural Brominated Metabolites from Marine Macro Brown Alga Dictyopteris hoytii

et al. 2019

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“…The successful removal of a DOBDC ligand has been also confirmed by FTIR spectroscopy where the −OH stretch absorption (1430–1485 cm –1 ) and −C–O tensile vibration of −OH-functionalized groups (1240 cm –1 ) on benzene rings absolutely disappear (Figure S5). , Furthermore, the TGA traces indicate that D-UiO-66-NH 2 - X materials exist as defects, ,, also verifying that the defected UiO series possess superior thermal stability compared to others without etching treatment (Figure S6). After 10 M HNO 3 directional etching treatment for 24 h, the powder X-ray diffraction (PXRD) patterns of D-UiO-66-NH 2 - X ( X = 4, 5) samples retain high crystallinity and octahedral crystal morphology, indicating that chemical treatment does not alter the MOF structural identity (Figures S3B, S4C, and S7H).…”

Section: Resultsmentioning

confidence: 64%

“…However, the as-obtained D-UiO-66-NH 2 - X ( X = 1–3) materials exhibit an amorphous character, ascribed to framework collapse because of the high content of DOBDC (Figures S3B, S7E–G). , Amazingly, as depicted in Figure C and Figure S4H, transmission electron microscopy (TEM) images indicate that the D-UiO-66-NH 2 -4 has a carved structure compared to the untreated one (Figure S4F,G). A meticulous inner structure with flocculent networks and surface pinhole formation can be discerned from the magnified TEM image (Figure S4I).…”

Section: Resultsmentioning

confidence: 88%

Defects Engineering of Lightweight Metal–Organic Frameworks-Based Electrocatalytic Membrane for High-Loading Lithium–Sulfur Batteries

Lin

Ding

et al. 2021

ACS Nano

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The sluggish kinetics and shuttle effect of lithium polysulfide intermediates are the major issues that retard the practical applications of lithium–sulfur (Li–S) batteries. Herein, we introduce a defect engineering strategy to construct a defected-UiO-66-NH2-4/graphene electrocatalytic membrane (D-UiO-66-NH2-4/G EM) which could accelerate the conversion of lithium polysulfides in high sulfur loadings and low electrolyte/sulfur (E/S) ratio Li–S batteries. Metal–organic frameworks (UiO-66-NH2) can be directionally chemical engraved to form concave octahedra with abundant defects. According to electrocatalytic kinetics and DFT calculations studies, the D-UiO-66-NH2-4 architecture effectively provides ample sites to capture polysulfides via strong chemical affinity and effectively delivers electrocatalytic activity of polysulfide conversion. As a result, a Li–S battery with such an electrocatalytic membrane delivers a high capacity of 12.3 mAh cm–2 (1013 mAh g–1) at a sulfur loading up to 12.2 mg·S cm–2 under a lean electrolyte condition (E/S = 5 μL mg–1-sulfur) at 2.1 mA cm–2 (0.1 C). Moreover, a prototype soft package battery also exhibits excellent cycling stability with a maintained capacity of 996 mAh g–1 upon 100 cycles.

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“…The unit cell of the cubic framework possessed 456 atoms with the dimensions of 20.9784 Å. Besides, the spatial group of the cube cell was considered 3 Fm m [23].…”

Section: Simulation Methodsmentioning

confidence: 99%

Adsorption and diffusion of H2 and CO on UiO-66: A Monte Carlo simulation study

Davoodian

Khoshbin

2020

Eur J Chem

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Metal-organic frameworks (MOFs) are a new class of nanoporous materials that have attracted much attention for the adsorption of small molecules, due to the large size of the cavities. In this study, we investigate the adsorption and diffusion of hydrogen (H2) and carbon monoxide (CO) guest molecules to the UiO-66 framework, as one of the most widely used MOFs, by using Monte Carlo simulation method. The results prove that an increment in the temperature decreases the amount of the adsorbed H2 and CO on the UiO-66 framework. While an enhancement of the pressure increases the amount of the adsorbed H2 and CO on the UiO-66 framework. Besides, the adsorption of H2 and CO on UiO-66 is the type I isotherm. The calculated isosteric heat for CO/UiO-66 is slightly higher than that of H2/UiO-66. The means of square displacement (MSD) value is less for CO molecule; hence, the movement of the guest molecule within the host cavity slows down and the guest molecule travels a shorter distance over a period of time. The guest molecule with higher molecular mass possesses less mobility, and therefore, it will have less permeability.

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Stabilizing defects in metal–organic frameworks: pendant Lewis basic sites as capping agents in UiO-66-type MOFs toward highly stable and defective porous materials

Abstract: Highly defective UiO-66-type MOFs are stabilized by Lewis basic sites on pendant groups, resulting in water-, acid-, and base-stable MOFs.

Cited by 24 publications

References 64 publications

α-Glucosidase Inhibition and Molecular Docking Studies of Natural Brominated Metabolites from Marine Macro Brown Alga Dictyopteris hoytii

α-Glucosidase Inhibition and Molecular Docking Studies of Natural Brominated Metabolites from Marine Macro Brown Alga Dictyopteris hoytii

Defects Engineering of Lightweight Metal–Organic Frameworks-Based Electrocatalytic Membrane for High-Loading Lithium–Sulfur Batteries

Adsorption and diffusion of H2 and CO on UiO-66: A Monte Carlo simulation study

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