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Seokwon Hyeon, Young-Chul Kim, Jihan Kim
The methane adsorption properties in M-MOF-74 (M = Mg, Ti, V, Cr, Mn, Co, Ni, Cu, and Zn) were investigated for potential adsorbed natural gas (ANG) vehicle applications. In particular, density functional theory (DFT) simulations were conducted to derive the force field parameters that were used in the grand canonical Monte Carlo (GCMC) simulations to obtain the methane adsorption isotherm curves. Our results indicate that commonly used DFT exchange correlation functionals (e.g. vdW-DF, vdW-DF2, PBE+D2) overestimated the methane binding strength to the metal sites, leading to inaccurate description of the adsorption properties...
July 27, 2017: Physical Chemistry Chemical Physics: PCCP
Pengfei Shi, Yuanchao Zhang, Zhaopeng Yu, Shusheng Zhang
A sensitive, selective and recyclable electrochemical sensor is designed for ATP detection based on amino-functionalized metal-organic framework. The functional MOF as the sensor is constructed by one-step synthesis Ce-MOF and sequentially modified on the Au electrode and conjugated with the aptamer of ATP. The presence of target ATP leads to the conformational change of aptamer strands and strong electrochemical impedance. The electrochemical sensor can detect ATP down to 5.6 nM with the linear range of 10 nm to 1000 μM...
July 26, 2017: Scientific Reports
Hossam E Emam, Reda M Abdelhameed
Protective textiles against harmful solar radiation are quite important materials for outdoor workers to secure their skin from several diseases. Current report focuses on production of anti-ultraviolet radiation (UVR) textiles by incorporation of nano metal organic frameworks (n-MOFs). Two different MIL-MOFs namely, MIL-68(In)-NH2 and MIL-125(Ti)-NH2 were immediately formed inside natural textiles (cotton & silk) matrix in nano size using quite simple and one-pot process. The formation of n-MIL-MOFs inside textiles were confirmed by using electron microscope and X-ray diffraction...
July 26, 2017: ACS Applied Materials & Interfaces
Qiu He, Jinshuai Liu, Zhaohuai Li, Qi Li, Lin Xu, Baoxuan Zhang, Jiashen Meng, Yuzhu Wu, Liqiang Mai
Tin dioxide (SnO2 ) has attracted much attention in lithium-ion batteries (LIBs) due to its abundant source, low cost, and high theoretical capacity. However, the large volume variation, irreversible conversion reaction limit its further practical application in next-generation LIBs. Here, a novel solvent-free approach to construct uniform metal-organic framework (MOF) shell-derived carbon confined SnO2 /Co (SnO2 /Co@C) nanocubes via a two-step heat treatment is developed. In particular, MOF-coated CoSnO3 hollow nanocubes are for the first time synthesized as the intermediate product by an extremely simple thermal solid-phase reaction, which is further developed as a general strategy to successfully obtain other uniform MOF-coated metal oxides...
July 26, 2017: Small
Shuhua He, Xiaozhong Zhou, Zhangpeng Li, Jinqing Wang, Limin Ma, Shengrong Yang
The electrochemical properties of the metal-organic framework (MOF)-based composite as electrode material can be significantly improved by means of partial destruction of the full coordination of linkers to metal ions and replacing with other small ions, which make metal centers become more accostable and consequently more effective for lithiation/delithiation process. In this paper, F- was chosen to replace some of benzenedicarboxylate (BDC) linkers for its better interaction with the Li+ than the oxide ion...
July 26, 2017: ACS Applied Materials & Interfaces
Hiang Kwee Lee, Yih Hong Lee, Joseph V Morabito, Yejing Liu, Charlynn Sher Lin Koh, In Yee Phang, Srikanth Pedireddy, Xuemei Han, Lien-Yang Chou, Chia-Kuang Tsung, Xing Yi Ling
We demonstrate a molecular-level observation of driving CO2 molecules into a quasi-condensed phase on the solid surface of metal nanoparticles (NP) under ambient conditions of 1 bar and 298 K. This is achieved via a CO2 accumulation in the interface between a metal-organic framework (MOF) and a metal NP surface formed by coating NPs with a MOF. Using real-time surface-enhanced Raman scattering spectroscopy, a >18-fold enhancement of surface coverage of CO2 is observed at the interface. The high surface concentration leads CO2 molecules to be in close proximity with the probe molecules on the metal surface (4-methylbenzenethiol), and transforms CO2 molecules into a bent conformation without the formation of chemical bonds...
July 25, 2017: Journal of the American Chemical Society
Dale R Pahls, Manuel A Ortuño, Peter H Winegar, Christopher J Cramer, Laura Gagliardi
Zr-based metal-organic frameworks (MOFs) are promising supports for copper-based catalysts able to activate methane. Homo- and heterobimetal-functionalized NU-1000 MOF nodes were selected to computationally screen the effect of ancillary metals for C-H bond activation, allowing us to correlate activation free energies with chemical descriptors.
July 25, 2017: Inorganic Chemistry
Jiarui He, Weiqiang Lv, Yuanfu Chen, Kechun Wen, Chen Xu, Wanli Zhang, Yanrong Li, Wu Qin, Weidong He
Lithium-tellurium (Li-Te) batteries are attractive for energy storage owing to a high theoretical volumetric capacity of 2621 mAh cm-3. In this work, highly nanoporous cobalt and nitrogen co-doped carbon polyhedra (C-Co-N) derived from metal-organic framework (MOF) is synthesized and employed as tellurium host for Li-Te batteries. The Te@C-Co-N cathode with a high Te loading of 77.2 wt% exhibits record-breaking electrochemical performances including an ultrahigh initial capacity of 2615.2 mAh cm-3 approaching the theoretical capacity of Te (2621 mAh cm-3), a superior cycling stability with a high capacity retention of 93...
July 25, 2017: ACS Nano
Ling-Yu Fan, Kai Yu, Jing-Hua Lv, He Zhang, Zhan-Hua Su, Lu Wang, Chun-Mei Wang, Bai-Bin Zhou
A novel 3D polyoxometalate metal organic framework (POMOF), [{CuCu (H2O)5(pzc)10(pz)6}{P2W18O62}2]·4H2O (1) (Hpzc = pyrazine-2-carboxylic acid, pz = pyrazine) has been hydrothermally synthesized and characterized by IR, TG, XRD, UV-vis and elemental analyses. In compound 1, the pzc and pz ligands are generated through in situ transformation from pyrazine-2,3-dicarboxylic acid (pzdc) to remove one or two CO2 molecules. The ligands with four coordination modes connect nine crystallographically independent Cu atoms to form a super-big circle unit...
July 25, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
Ai-Na Meng, Ling-Xiao Chaihu, Huan-Huan Chen, Zhi-Yuan Gu
Bisphenol A (BPA), one of 23 most important endocrine disrupting chemicals, was efficiently removed and sequentially photodegraded by a zirconium-porphyrin metal-organic framework (MOF) catalyst under visible light for water treatment. Well control of photodegradation allows the kinetic separation of adsorption step and photodegradation step. Ultrahigh adsorption uptake of 487.69 ± 8.37 mg g(-1) is observed, while efficient photodegradation could be observed within 20 min at the rate of 0.004 mg min(-1)...
July 24, 2017: Scientific Reports
Feng Zhang, Hua Yao, Yifan Zhao, Xing Li, Gaowei Zhang, Yangyi Yang
The detection of antibiotics is critical and challenging due to the pervasive use of antibiotics had inevitably brought some negative impacts on ecosystem and human health. Herein, we reported an anti-interfere ability enhanced luminescent sensor of lanthanide metal-organic framework (Ln-MOF) filled mixed matrix membranes (MMMs), which combining the processibility of poly(methyl methacrylate) (PMMA) polymer with Ln-MOF of {[Tb2(AIP)2(H2O)10]·(AIP)·4H2O}n (Tb-AIP, where AIP is 5-aminoisophthalate) fillers...
November 1, 2017: Talanta
Min Deng, Shourui Lin, Xiangjie Bo, Liping Guo
The zirconium-based MOF (UiO-66)/mesoporous carbon (MC) composite was synthesized using conventional hydrothermal method for the first time. The surface morphology and structure of UiO-66/MC composite were characterized by scanning electron microscopy (SEM), transmission electron microscope (TEM), Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). A novel electrochemical sensor based on UiO-66/MC was constructed for simultaneous and sensitive determination of dihydroxybenzene isomers (DBIs) of hydroquinone (HQ), catechol (CT) and resorcinol (RS)...
November 1, 2017: Talanta
Peng-Fei Shi, Chun-Shuai Cao, Chu-Ming Wang, Bin Zhao
Tunable structures and magnetocaloric effect (MCE) of seven MOFs with [Gdn] as nodes are explored. The [Gdn] node is realized from mononuclear [Gd] to binuclear paddle-wheel [Gd2], tetranuclear tetrahedral [Gd4], and pentanuclear trigonal bipyramidal [Gd5]. Meanwhile, the magnetic entropy changes from 19.4 to 46.0 J·kg(-1)·K(-1). The results reveal that the effect of magnetic density on MCE plays a dominant role for Gd(3+)-based compounds, and high spin ground state of Mn(2+) (S = 5/2) is more favorable to achieve high MCE than that with Zn(2+), Co(2+), and Ni(2+) (Co(2+), S = 3/2; Ni(2+), S = 1)...
July 24, 2017: Inorganic Chemistry
Mei-Hui Yu, Ping Zhang, Rui Feng, Zhao-Quan Yao, Yi-Chen Yu, Tong-Liang Hu, Xian-He Bu
As a kind of MOFs, cage-based MOFs usually carry large voids and small windows, which are advantageous to the storage of small molecules that remain kinetically trapped inside the cages (confinement effect). By adjusting the size of windows via reticular synthesis, the cage-based MOFs can selectively capture and separate the suitable size molecules. Here, considering angle-directed and face-directed strategies, a novel multicage-based MOF NUM-3 with a new (3,4,5)-connected topology was successfully constructed in the mixed-ligands assembly...
July 26, 2017: ACS Applied Materials & Interfaces
G I Schacter, W D Leslie, S R Majumdar, S N Morin, L M Lix, D Hans
This is the first study to directly compare the original and recently updated versions of the trabecular bone score (TBS) algorithm. We confirmed improved performance of the new algorithm, especially among men. INTRODUCTION: Lumbar spine trabecular bone score (TBS) predicts major osteoporotic fractures (MOFs) and hip fractures (HFs) independent of bone density. The original TBS algorithm (version 1; [TBS-v1]) was optimized for women of average body size. Limitations were identified when used in men or extremes of body mass index (BMI)...
July 21, 2017: Osteoporosis International
Shuaiqi Zhao, Ding Chen, Fuhua Wei, Nini Chen, Zhao Liang, Yun Luo
Metal-organic frameworks (MOFs) were successfully synthesized by ultrasonic wave-assisted ball milling. In the absence of organic solvent, the coupling effect of ultrasonic wave and mechanical force played an significant role in the synthesis of MOFs. Adsorption of Congo red (CR) was studied in view of adsorption kinetic, isotherm and thermodynamics. The adsorbent was carried out using X-ray diffraction (XRD), thermogravimetric analysis (TGA), N2 adsorption-desorption isotherms, Raman spectroscopy and scanning electron microscope (SEM) methods...
November 2017: Ultrasonics Sonochemistry
Shan Wang, Qianyou Wang, Xiao Feng, Bo Wang, Li Yang
An overview of the current status of coordination polymers and metal-organic frameworks (MOFs) pertaining to the field of energetic materials is provided. The explosive applications of MOFs are discussed from two aspects: one for detection of explosives, and the other for explosive desensitization. By virtue of their adjustable pore/cage sizes, high surface area, tunable functional sites, and rich host-guest chemistry, MOFs have emerged as promising candidates for both explosive sensing and desensitization...
July 21, 2017: Advanced Materials
Beibei Kou, Yaqin Chai, Yali Yuan, Ruo Yuan
The high catalytic efficiency of enzyme cascade reaction mainly depends on optimal interenzyme distance regulated by the special scaffolds. In this work, the rigid PtNPs with different sizes were employed as scaffolds to regulate interenzyme distance for efficient enzyme cascade amplification to construct electrochemical biosensor for sensitive detection of matrix metalloproteinases-2 (MMP-2), which overcame the drawbacks of instable construction and sophisticated preparation induced by conventional scaffolds such as metal-organic frameworks (MOFs), DNA nanostructures...
July 20, 2017: Analytical Chemistry
Benjamin Paschke, Achim Wixforth, Dmytro Denysenko, Dirk Volkmer
Observation of the kinetics and measurement of the activation energies for gas diffusion in porous materials requires very fast and sensitive sensors. In this work, thin films of metal-organic frameworks (MOFs) with different pore sizes are grown on a surface acoustic wave (SAW) substrate, resulting in very sensitive and specific sensor systems for the detection of various gases at very short time scales. Using specially designed SAW delay lines for the detection, up to 200-nm-wide cubic MOF crystals were grown directly from a solution on the sensitive sensor chip area...
June 23, 2017: ACS Sensors
Xi Liang, Bin Li, Minghao Wang, Jing Wang, Ruilan Liu, Gang Li
We explored proton conductivities of two 3D Co(II) MOFs, {[Co3(m-ClPhIDC)2(H2O)6]·2H2O}n (m-ClPhH3IDC = 2-(m-chlorophenyl)-imidazole-4,5-dicarboxylic acid) (1) and {[Co3(p-ClPhHIDC)3(H2O)3]·6H2O}n (p-ClPhH3IDC = 2-(p-chlorophenyl)-imidazole-4,5-dicarboxylic acid) (2) under water and aqua-ammonia vapors, respectively. The experimental results revealed that the proton conductivities of 1 and 2 at aqua-ammonia vapor were 2.89 × 10-2 S·cm-1 and 4.25 × 10-2 S·cm-1, respectively, and approximately two orders of magnitude greater than those of them at water vapor...
July 19, 2017: ACS Applied Materials & Interfaces
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