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https://www.readbyqxmd.com/read/29471129/issues-in-estimating-probability-of-detection-of-ndt-techniques-a-model-assisted-approach
#1
Vamsi Krishna Rentala, Phani Mylavarapu, Jai Prakash Gautam
In order to successfully implement Damage Tolerance (DT) methodology for aero-engines, Non-Destructive Testing (NDT) techniques are vital for assessing the remaining life of the component. Probability of Detection (POD), a standard measure of NDT reliability, is usually estimated as per MIL-HDBK-1823A standard. Estimation of POD of any NDT technique can be obtained by both experimental and model assisted methods. POD depends on many factors such as material, geometry, defect characteristics, inspection technique, etc...
February 13, 2018: Ultrasonics
https://www.readbyqxmd.com/read/29470067/tunable-robust-pacs-mofs-a-platform-for-systematic-enhancement-of-the-c-2-h-2-uptake-and-c-2-h-2-c-2-h-4-separation-performance
#2
Di-Ming Chen, Chun-Xiao Sun, Nan-Nan Zhang, Huan-Huan Si, Chun-Sen Liu, Miao Du
As a modulatable class of porous crystalline materials, metal-organic frameworks (MOFs) have gained intensive research attention in the domain of gas storage and separation. In this study, we report on the synthesis and gas adsorption properties of two robust MOFs with the general formula [Co3 (μ3 -OH)(cpt)3 Co3 (μ3 -OH)(L)3 (H2 O)9 ](NO3 )4 (guests)n [L = 3-amino-1,2,4-triazole (1) and 3,5-diamino-1,2,4-triazole (2); Hcpt = 4-(4-carboxyphenyl)-1,2,4-triazole], which show the same pacs topology. Both MOFs are isostructural to each other and show MIL-88-type frameworks whose pore spaces are partitioned by different functionlized trinuclear 1,2,4-triazolate-based clusters...
February 22, 2018: Inorganic Chemistry
https://www.readbyqxmd.com/read/29457818/light-enhanced-acid-catalysis-over-a-metal-organic-framework
#3
Caiyun Xu, Keju Sun, Yu-Xiao Zhou, Xiao Ma, Hai-Long Jiang
A Brønsted acid-functionalized metal-organic framework (MOF), MIL-101-SO3 H, was prepared for acid-engaged esterification reactions. Strikingly, for the first time, the MOF exhibits significantly light-enhanced activity and possesses excellent activity and recyclability, with even higher activity than H2 SO4 under light irradiation.
February 19, 2018: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/29454949/polyoxometalate-metal-organic-framework-lipase-an-efficient-green-catalyst-for-synthesis-of-benzyl-cinnamate-by-enzymatic-esterification-of-cinnamic-acid
#4
Narges Nobakht, Mohammad Ali Faramarzi, Abbas Shafiee, Mehdi Khoobi, Ezzat Rafiee
Iron-carboxylate (MIL-100(Fe)) and HKUST-1 (Cu3 (BTC)2 , BTC = 1,3,5-benzenetricarboxylic acid) as nanoporous metal organic framework supports were compared for immobilization of porcine pancreatic lipase (PPL). These immobilizations improved thermal, pH and operational stability of PPL compared to the soluble enzyme. Stability of MIL-100(Fe) was better than HKUST-1 as support. MIL-100(Fe) encapsulated Keggin phosphotungstic acid H3 PW12 O40 (PW) (PW@MIL-100(Fe)) was synthesized to develop novel enzyme immobilized system and characterized by Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FE-SEM), Brunauer-Emmett-Teller (BET), X-ray diffraction (XRD) and Barrett Joyner Halenda (BJH) analysis...
February 15, 2018: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29453105/highly-efficient-and-selective-removal-of-n-heterocyclic-aromatic-contaminants-from-liquid-fuels-in-a-ag-i-functionalized-metal-organic-framework-contribution-of-multiple-interaction-sites
#5
Haiying She, Xiaochen Ma, Ganggang Chang
An adsorbent with multiple interaction sites for the adsorption of nitrogen-containing compounds (NCCs) has been realized in a silver ion functionalized Cr 3+ based metal-organic framework (Cr)-MIL-101-SO 3 Ag. The adsorptive denitrogenation performance of (Cr)-MIL-101-SO 3 Ag was evaluated in a batch adsorption system in terms of both its adsorption capacity and selectivity, of which, quinoline and indole were selected as representative organonitrogen contaminants in liquid fuels. (Cr)-MIL-101-SO 3 Ag could interact with NCCs through multiple ways simultaneously, which exhibited about 50% higher adsorption capacity compared to (Cr)-MIL-101-SO 3 H, and a still high level of adsorption amount could be remained even in a model fuel where toluene (15% v) was added as a co-solvent and benzothiophene (BT) was added as a competitive adsorbate...
February 2, 2018: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/29449906/elucidating-the-vibrational-fingerprint-of-the-flexible-metal-organic-framework-mil-53-al-using-a-combined-experimental-computational-approach
#6
Alexander E J Hoffman, Louis Vanduyfhuys, Irena Nevjestić, Jelle Wieme, Sven M J Rogge, Hannes Depauw, Pascal Van Der Voort, Henk Vrielinck, Veronique Van Speybroeck
In this work, mid-infrared (mid-IR), far-IR, and Raman spectra are presented for the distinct (meta)stable phases of the flexible metal-organic framework MIL-53(Al). Static density functional theory (DFT) simulations are performed, allowing for the identification of all IR-active modes, which is unprecedented in the low-frequency region. A unique vibrational fingerprint is revealed, resulting from aluminum-oxide backbone stretching modes, which can be used to clearly distinguish the IR spectra of the closed- and large-pore phases...
February 8, 2018: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/29444398/the-importance-of-cell-shape-sampling-to-accurately-predict-flexibility-in-metal-organic-frameworks
#7
Sven M J Rogge, Senne Caroes, Ruben Demuynck, Michel Waroquier, Veronique Van Speybroeck, An Ghysels
In this paper, the influence of cell shape sampling on the predicted stability of the different metastable phases in flexible metal-organic frameworks at finite temperatures is investigated. The influence on the free energy by neglecting cell shape sampling is quantified for the prototypical MIL-53(Al) and the topical DUT-49(Cu). This goal is achieved by constructing free energy profiles in ensembles either in which the phase space associated with the cell shape is sampled explicitly, or in which the cell shape is kept fixed...
February 14, 2018: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29439986/the-stress-response-protein-bola-influences-fitness-and-promotes-salmonella-typhimurium-virulence
#8
Dalila Mil-Homens, Susana Barahona, Ricardo N Moreira, Inês J Silva, Sandra N Pinto, Arsénio M Fialho, Cecília M Arraiano
The intracellular pathogen Salmonella Typhimurium has emerged as a major cause of foodborne illness, representing a severe clinical and economical concern worldwide. The capacity of this pathogen to efficiently infect and survive inside the host depends on its ability to synchronize a complex network of virulence mechanisms. Therefore, the identification of new virulence determinants has become determinant in the search of new targets for drug development.BolA-like proteins are widely conserved in all kingdoms of life...
February 9, 2018: Applied and Environmental Microbiology
https://www.readbyqxmd.com/read/29439561/enhanced-proton-conductivity-of-sulfonated-hybrid-poly-arylene-ether-ketone-membranes-by-incorporating-an-amino-sulfo-bifunctionalized-metal-organic-framework-for-direct-methanol-fuel-cells
#9
Chunyu Ru, Zhenhua Li, Chengji Zhao, Yuting Duan, Zhuang Zhuang, Fanzhe Bu, Hui Na
Novel side-chain-type sulfonated poly (arylene ether ketone) (SNF-PAEK) containing naphthalene and fluorine moieties on the main chain was prepared in this work, and a new amino-sulfo-bifunctionalized metal-organic framework (MNS, short for MIL-101-NH2-SO3H) was synthesized via a hydrothermal technology and post-modification. Then MNS was incorporated into SNF-PAEK matrix as an inorganic nano-filler to prepare a series of organic-inorganic hybrid membranes (MNS@SNF-PAEK-XX). The mechanical property, methanol resistance, electrochemistry and other properties of MNS@SNF-PAEK-XX hybrid membranes were detailed characterized...
February 14, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29431783/one-pot-sustainable-synthesis-of-magnetic-mil-100-fe-with-novel-fe3o4-morphology-and-its-application-in-heterogeneous-degradation
#10
Huairu Tian, Jun Peng, Qiuzheng Du, Xuanhong Hui, Hua He
A novel, rapid and simple method is described for the synthesis of magnetic MIL-100(Fe) with novel Fe3O4 morphology, which significantly improved the sustainability of conventional fabrication processes in several aspects. The magnetic MOFs were prepared (i) in one pot (instead of multiple steps), (ii) at room temperature (instead of temperatures over 150 °C), (iii) within a few hours with excellent yield (instead of in few days with low productivity) and (iv) in the absence of any corrosive inorganic acid and organic reagent...
February 12, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29431679/statistical-mechanics-of-binary-mixture-adsorption-in-metal-organic-frameworks-in-the-osmotic-ensemble
#11
Lawrence J Dunne, George Manos
Although crucial for designing separation processes little is known experimentally about multi-component adsorption isotherms in comparison with pure single components. Very few binary mixture adsorption isotherms are to be found in the literature and information about isotherms over a wide range of gas-phase composition and mechanical pressures and temperature is lacking. Here, we present a quasi-one-dimensional statistical mechanical model of binary mixture adsorption in metal-organic frameworks (MOFs) treated exactly by a transfer matrix method in the osmotic ensemble...
March 13, 2018: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/29429713/synthesis-and-sonocatalytic-performance-of-a-ternary-magnetic-mil-101-cr-rgo-znfe2o4-nanocomposite-for-degradation-of-dye-pollutants
#12
Ladan Nirumand, Saeed Farhadi, Abedin Zabardasti, Alireza Khataee
In this study, new ternary magnetic MIL-101(Cr)/RGO/ZnFe2O4 catalyst (with 30% wt of ZnFe2O4) was synthesized via a hydrothermal route for sonodegradation of organic dyes. The structural, optical and magnetic properties of the nanocomposite were detected by means of X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), UV-visible spectroscopy (UV-visible), field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) spectroscopy, vibrating sample magnetometer (VSM), atomic force microscopy (AFM), Raman spectroscopy and BET surface area analysis...
April 2018: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/29426146/adsorption-of-tetracycline-antibiotics-from-aqueous-solutions-on-nanocomposite-multi-walled-carbon-nanotube-functionalized-mil-53-fe-as-new-adsorbent
#13
Weiping Xiong, Guangming Zeng, Zhaohui Yang, Yaoyu Zhou, Chen Zhang, Min Cheng, Yang Liu, Liang Hu, Jia Wan, Chengyun Zhou, Rui Xu, Xin Li
Adsorption of tetracycline antibiotics from aqueous solutions by a multi-walled carbon nanotube (MWCNT) loaded iron metal-organic framework (MIL-53(Fe)) composite was studied. The adsorbent was characterized by environmental scanning electron microscope, energy dispersive X-ray spectroscopy, brunauer-emmett-teller, thermogravimetric analysis, X-ray diffraction, fourier transform infrared spectrum, and X-ray photoelectron spectrum. The adsorption kinetics of tetracycline hydrochloride (TCN), oxytetracycline hydrochloride (OTC), and chlortetracycline hydrochloride (CTC) were all well fitted to the pseudo-second-order equation as well as the adsorption isotherms could be well delineated via Langmuir equations...
January 29, 2018: Science of the Total Environment
https://www.readbyqxmd.com/read/29411808/extraordinary-sensitivity-for-h2s-and-fe-iii-sensing-in-aqueous-medium-by-al-mil-53-n3-metal-organic-framework-in-vitro-and-in-vivo-applications-of-h2s-sensing
#14
Aniruddha Das, Sooram Banesh, Vishal Trivedi, Shyam Biswas
An Al(iii) metal-organic framework (MOF) called Al-MIL-53-N3 (1) was synthesized under solvothermal reaction conditions using Al(NO3)3·9H2O and H2BDC-N3 (H2BDC-N3 = 2-azido-1,4-benzenedicarboxylic acid) ligand in a DMF/water (DMF = N,N-dimethylformamide) mixture. Phase purity was checked by performing X-ray powder diffraction, infrared spectroscopy and thermogravimetric analysis. Thermogravimetric analysis suggests that 1 is highly stable up to 300 °C under air atmosphere. The activated 1 (called 1') showed a very fast fluorescence response to H2S (turn-on) and Fe(iii) ions (turn-off) in an aqueous medium with excellent sensitivity and selectivity even in the presence of other potentially intrusive analytes...
February 7, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29396847/extension-of-the-quickff-force-field-protocol-for-an-improved-accuracy-of-structural-vibrational-mechanical-and-thermal-properties-of-metal-organic-frameworks
#15
L Vanduyfhuys, S Vandenbrande, J Wieme, M Waroquier, T Verstraelen, V Van Speybroeck
QuickFF was originally launched in 2015 to derive accurate force fields for isolated and complex molecular systems in a quick and easy way. Apart from the general applicability, the functionality was especially tested for metal-organic frameworks (MOFs), a class of hybrid materials consisting of organic and inorganic building blocks. Herein, we launch a new release of the QuickFF protocol which includes new major features to predict structural, vibrational, mechanical and thermal properties with greater accuracy, without compromising its robustness and transparent workflow...
February 2, 2018: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/29393936/amorphous-tio2-nh2-mil-125-ti-homologous-mof-encapsulated-heterostructures-with-enhanced-photocatalytic-activity
#16
Xiyi Li, Yunhong Pi, Qingqing Hou, Hao Yu, Zhong Li, Yingwei Li, Jing Xiao
We have provided the first case of successfully synthesising amorphous TiO2@NH2-MIL-125(Ti) MOF-encapsulated heterostructures by a facile process. The homologous heterostructures exhibited higher photocatalytic activity via efficient transfer of photoinduced carriers as well as preservation of trivalent titanium ions.
February 2, 2018: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/29385240/mindfulness-and-fear-of-hypoglycaemia-in-parents-of-children-with-type-1-diabetes-results-from-the-diabetes-miles-youth-the-netherlands-dataset
#17
J Aalders, E Hartman, G Nefs, A Nieuwesteeg, C Hendrieckx, H-J Aanstoot, P Winterdijk, E van Mil, J Speight, F Pouwer
AIMS: To identify the sociodemographic and clinical correlates of fear of hypoglycaemia among parents of children (aged 4-18 years) with Type 1 diabetes and to examine the relationships between parental fear of hypoglycaemia, mindfulness and mindful parenting. METHODS: Sociodemographic, self-reported clinical and psychological data were extracted from the cross-sectional Diabetes MILES Youth - The Netherlands dataset. Questionnaires included the Hypoglycaemia Fear Survey - Parent Worry (parental fear of hypoglycaemia), the Freiburg Mindfulness Inventory - Short version (mindfulness) and the Interpersonal Mindfulness in Parenting Scale (mindful parenting)...
January 31, 2018: Diabetic Medicine: a Journal of the British Diabetic Association
https://www.readbyqxmd.com/read/29380827/a-label-free-fluorescence-assay-for-hydrogen-peroxide-and-glucose-based-on-the-bifunctional-mil-53-fe-nanozyme
#18
Tianran Lin, Yuemei Qin, Yuanlin Huang, Ruitao Yang, Li Hou, Fanggui Ye, Shulin Zhao
A label-free nanozyme MIL-53(Fe) with the dual-function of catalyzing and emitting fluorescence was utilized for turn-on fluorescence detection of hydrogen peroxide and glucose. The proposed strategy provides a cost-effective, safe and sensitive method for the design and development of multiple enzyme cascade assays for various biomolecules.
January 30, 2018: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/29377466/encapsulation-of-crabtree-s-catalyst-in-sulfonated-mil-101-cr-enhancement-of-stability-and-selectivity-between-competing-reaction-pathways-by-the-mof-chemical-microenvironment
#19
Matthew J Rosseinsky, Alexios Grigoropoulos, Alasdair I McKay, Alexandros P Katsoulidis, Robert P Davies, Anthony Haynes, Lee Brammer, Jianliang Xiao, Andrew S Weller
Crabtree's catalyst was encapsulated inside the pores of the sulfonated MIL-101(Cr) metal-organic framework by cation exchange. This hybrid catalyst is active for the heterogeneous hydrogenation of non-functionalized alkenes either in solution or in the gas phase. Moreover, encapsulation inside a well-defined hydrophilic microenvironment enhances catalyst stability and selectivity to hydrogenation over isomerization for substrates bearing ligating functionalities. Accordingly, the encapsulated catalyst significantly outperforms its homogeneous counterpart in the hydrogenation of olefinic alcohols in terms of overall conversion and selectivity with the chemical microenvironment of the MOF host favouring one out of two competing reaction pathways...
January 28, 2018: Angewandte Chemie
https://www.readbyqxmd.com/read/29369511/preparation-of-iron-based-mil-101-functionalized-polydopamine-fe3-o4-magnetic-composites-for-extracting-sulfonylurea-herbicides-from-environmental-water-and-vegetable-samples
#20
Yulan Deng, Ruiqi Zhang, Di Li, Peng Sun, Ping Su, Yi Yang
Here, we describe a simple one-pot solvothermal method for synthesizing MIL-101(Fe)@polydopamine@Fe3 O4 composites from polydopamine-modified Fe3 O4 particles. The composite was used as a magnetic adsorbent to rapidly extract sulfonylurea herbicides. The herbicides were then analyzed by high-performance liquid chromatography. The best possible extraction efficiencies were achieved by optimizing the most important extraction parameters, including desorption conditions, extraction time, adsorbent dose, salt concentration, and the pH of the solution...
January 25, 2018: Journal of Separation Science
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