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Molecular adsorbant

Jun Cao, Li-Qing Peng, Jing-Jing Xu, Li-Jing Du, Qi-Dong Zhang
This study presents an effective method of using miniaturized matrix solid phase dispersion (MSPD) for the microextraction of inorganic iodine and iodinated amino acids from seaweed samples. Quantification of the target analytes was performed by ultrahigh performance liquid chromatography with UV detection. Molecular sieve (SBA-15) was chosen as the dispersing adsorbent with an ionic liquid (1-dodecyl-3-methylimidazolium bromide) as the elution solvent. The experimental conditions for the MSPD, such as the type of sorbent, ratio of sorbent to sample, type and concentration of the elution solvent, and grinding time were evaluated and optimized...
November 25, 2016: Journal of Chromatography. A
Zdenek Futera, Niall J English
We have performed non-equilibrium molecular dynamics simulations of various TiO2/water interfaces at ambient temperature in presence of oscillating electric fields in frequency range 20-100 GHz and RMS intensities 0.05-0.25 V/Å. Although the externally applied fields are by one order of magnitude lower than the intrinsic electric field present on the interfaces (∼1.5-4.5 V/Å), significant non-thermal coupling of rotational and translational motion of water molecules was clearly observed. Enhancement of the motion, manifested by increase of diffusivity, was detected in the first hydration layer, which is known to be heavily confined by adsorption to the TiO2 surface...
November 28, 2016: Journal of Chemical Physics
Toral D Zaveri, Natalia V Dolgova, Jamal S Lewis, Kiri Hamaker, Michael J Clare-Salzler, Benjamin G Keselowsky
Aseptic loosening due to peri-prosthetic osteolysis is one of the primary causes for failure of artificial joint replacements. Implant-derived wear particles, often ultra-high molecular weight polyethylene (UHMWPE) microparticles, initiate an inflammatory cascade upon phagocytosis by macrophages, which leads to osteoclast recruitment and activation, ultimately resulting in osteolysis. Investigation into integrin receptors, involved in cellular interactions with biomaterial-adsorbed adhesive proteins, is of interest to understand and modulate inflammatory processes...
October 27, 2016: Biomaterials
Raif İlktaç, Nur Aksuner, Emur Henden
In this study, magnetite-molecularly imprinted polymer has been used for the first time as selective adsorbent before the fluorimetric determination of carbendazim. Adsorption capacity of the magnetite-molecularly imprinted polymer was found to be 2.31±0.63mgg(-1) (n=3). Limit of detection (LOD) and limit of quantification (LOQ) of the method were found to be 2.3 and 7.8μgL(-1), respectively. Calibration graph was linear in the range of 10-1000μgL(-1). Rapidity is an important advantage of the method where re-binding and recovery processes of carbendazim can be completed within an hour...
November 18, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Behnoosh Sadeghi Moghadam, Mohammad Razmkhah, Mohammad Taghi Hamed Mosavian, Fatemeh Moosavi
Electric double layer (EDL) supercapacitors, using ionic liquid electrolytes, have been receiving a great deal of attention in response to the growing demand for energy storage systems. In the present study, the nanoscopic structure of amino acid ionic liquids (AAILs) as biodegradable electrolytes near a neutral graphene surface was studied by molecular dynamics (MD) simulation. In order to explore the influence of the anion type and structure, the effect of the alkyl side-chain length of amino acids on the EDL was investigated...
November 25, 2016: Physical Chemistry Chemical Physics: PCCP
Yousuke Ooyama, Naoya Yamaguchi, Joji Ohshita, Yutaka Harima
D-π-A dyes NI-4 bearing a pyridyl group, YNI-1 bearing two pyridyl groups and YNI-2 bearing two thienylpyridyl groups as the anchoring group on the TiO2 surface have been developed as dye sensitizers for dye-sensitized solar cells (DSSCs), where NI-4 and YNI-2 can adsorb onto the TiO2 electrode through the formation of the coordinate bond between the pyridyl group of the dye and the Lewis acid site (exposed Ti(n+) cations) on the TiO2 surface, but YNI-1 is predominantly adsorbed on the TiO2 electrode through the formation of the hydrogen bond between the pyridyl group of the dye and the Brønsted acid sites (surface-bound hydroxyl groups, Ti-OH) on the TiO2 surface...
November 25, 2016: Physical Chemistry Chemical Physics: PCCP
Sho Shinohara, You Chiyomaru, Fumihiro Sassa, Chuanjun Liu, Kenshi Hayashi
Versatile odor sensors that can discriminate among huge numbers of environmental odorants are desired in many fields, including robotics, environmental monitoring, and food production. However, odor sensors comparable to an animal's nose have not yet been developed. An animal's olfactory system recognizes odor clusters with specific molecular properties and uses this combinatorial information in odor discrimination. This suggests that measurement and clustering of odor molecular properties (e.g., polarity, size) using an artificial sensor is a promising approach to odor sensing...
November 23, 2016: Sensors
A Paulheim, C Marquardt, M Sokolowski, M Hochheim, T Bredow, H Aldahhak, E Rauls, W G Schmidt
We report a combined experiment-theory study on low energy vibrational modes in fluorescence spectra of perylene-3,4,9,10-tetracarboxylic acid dianhydride (PTCDA) molecules. Using very low coverages, isolated molecules were adsorbed on terrace sites or at sites located at residual steps on (100) oriented alkali halide films (KCl and NaCl). The low energy modes couple to the optical transition only because the PTCDA molecule is geometrically distorted (C2v) upon adsorption on the surface; they would be absent for the parent planar (D2h) PTCDA molecule...
November 24, 2016: Physical Chemistry Chemical Physics: PCCP
Liangbing Ding, Feng Xiong, Yuekang Jin, Zhengming Wang, Guanghui Sun, Weixin Huang
CeO2/Au(110) inverse model catalysts were prepared and their activity toward the adsorption and co-adsorption of O2, CO, CO2 and water was studied by means of X-ray photoelectron spectroscopy, low energy electron diffraction, thermal desorption spectra and temperature-programmed reaction spectra. The Au surface of CeO2/Au(110) inverse model catalysts molecularly adsorbs CO, CO2 and water, and the polycrystalline CeO2 surface of CeO2/Au(110) inverse model catalysts molecularly adsorbs O2, and molecularly and reactively adsorbs CO, CO2 and water...
November 30, 2016: Physical Chemistry Chemical Physics: PCCP
Jin-Hui Zhong, Xi Jin, Lingyan Meng, Xiang Wang, Hai-Sheng Su, Zhi-Lin Yang, Christopher T Williams, Bin Ren
An atomic- and molecular-level understanding of heterogeneous catalysis is required to characterize the nature of active sites and improve the rational design of catalysts. Achieving this level of characterization requires techniques that can correlate catalytic performances to specific surface structures, so as to avoid averaging effects. Tip-enhanced Raman spectroscopy combines scanning probe microscopy with plasmon-enhanced Raman scattering and provides simultaneous topographical and chemical information at the nano/atomic scale from ambient to ultrahigh-vacuum and electrochemical environments...
November 21, 2016: Nature Nanotechnology
Giulia Magi Meconi, Nicholas Ballard, José M Asua, Ronen Zangi
We report combined experimental and computational studies aiming to elucidate the adsorption properties of ionic and nonionic surfactants on hydrophobic polymer surface such as poly(styrene). To represent these two types of surfactants, we choose sodium dodecyl sulfate and poly(ethylene glycol)-poly(ethylene) block copolymers, both commonly utilized in emulsion polymerization. By applying quartz crystal microbalance with dissipation monitoring we find that the non-ionic surfactants are desorbed from the poly(styrene) surface slower, and at low surfactant concentrations they adsorb with stronger energy, than the ionic surfactant...
November 21, 2016: Soft Matter
Nicklas N Poulsen, Jesper Østergaard, Nickolaj J Petersen, Kim Daasbjerg, Joseph Iruthayaraj, Andra Dedinaite, Ricardas Makuska, Henrik Jensen
Many bioanalytical methods rely on electrophoretic separation of structurally labile and surface active biomolecules such as proteins and peptides. Often poor separation efficiency is due to surface adsorption processes leading to protein denaturation and surface fouling in the separation channel. Flexible and reliable approaches for preventing unwanted protein adsorption in separation science are thus in high demand. We therefore present new coating approaches based on an automated in-capillary surface initiated atom transfer radical polymerization process (covalent coating) as well as by electrostatically adsorbing a pre-synthesized polymer leading to functionalized molecular brushes...
November 21, 2016: Journal of Separation Science
Ming Gao, Jun Ren, Kaikai Tian, Lingyun Jia
As an efficient and facile reaction, click chemistry has been growingly used in the preparation of chromatography media for immobilizing varying types of ligands. For the widely used Cu (I)-catalyzed alkyne-azide click reaction, a 1, 2, 3-triazole group will be inevitably introduced in the molecular linkage, which could give rise to unexpected non-specific adsorption especially for the media employing small compound ligands or high ligand density. Triazole-induced non-specific protein adsorption on sepharose resins was evaluated systematically in this work, by considering the effects of triazole content, length of spacer arm, and solution conditions...
November 13, 2016: Journal of Chromatography. A
Imad Aharchaou, Maikel Rosabal, Fengjie Liu, Eric Battaglia, Davide A L Vignati, Claude Fortin
Chromium occurs in aquatic environments under two main redox forms, namely Cr(III) and Cr(VI), with different geochemical and biochemical properties. Cr(VI) readily crosses biological membranes of living organisms and once inside the cells it undergoes a rapid reduction to Cr(III). The route of entry for the latter form is, however, poorly known. Using the radioactive tracer (51)Cr we compared the accumulation (absorption and adsorption) of the two Cr forms by the green unicellular alga Chlamydomonas reinhardii after 1h and 72h of exposure to 100nM of either Cr(III) or Cr(VI) at pH 7...
November 6, 2016: Aquatic Toxicology
Bailey E Sparks, Nicholas C Cavarocchi, Hitoshi Hirose
BACKGROUND: Liver dialysis, molecular adsorbent recirculating system (MARS) particularly, has been used in liver failure to bridge to transplantation. We expanded the indication for MARS to patients with acute shock liver failure and cardiopulmonary failure on extracorporeal membrane oxygenation (ECMO), aiming to improve survival to wean from ECMO. METHODS: Retrospective chart analysis of patients on ECMO between 2010 and 2015 found 28 patients who met the criteria for acute liver failure, diagnosed by hyperbilirubinemia (total bilirubin ≥10 mg/dl) or by elevated transaminase (alanine transaminase >1,000 IU/liter)...
October 7, 2016: Journal of Heart and Lung Transplantation
Xiaoxiao You, Lei Gao, Dongli Qin, Ligang Chen
A novel and highly efficient approach to obtain magnetic molecularly imprinted polymers is described to detect avermectin in fish samples. The magnetic molecularly imprinted polymers were synthesized by surface imprinting polymerization using magnetic multi-walled carbon nanotubes as the support materials, atom transfer radical polymerization as the polymerization method, avermectin as template, acrylamide as function monomer and ethylene glycol dimethacrylate as crosslinker. The characteristics of the magnetic molecularly imprinted polymers were assessed by using transmission electron microscopy, FTIR spectroscopy, X-ray photoelectron spectroscopy, vibrating sample magnetometry, X-ray diffraction and thermogravimetric analysis...
November 15, 2016: Journal of Separation Science
Josua Pecher, Ralf Tonner
Intermediate states to covalent attachment of molecules on surfaces, so called precursors, are usually considered to be physisorbed and mobile. We show that this view should be reconsidered and provide evidence for a chemisorbed precursor for ethylene on Si(001). The character of the molecule-surface bond as a π complex is determined and quantified using our recently developed method for energy and charge analysis in extended systems. In contrast to previous assumptions, the precursor should thus be immobile, which is underlined by computation of high diffusion energy barriers...
November 7, 2016: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Simon P Rittmeyer, David J Ward, Patrick Gütlein, John Ellis, William Allison, Karsten Reuter
Helium spin echo experiments combined with ab initio based Langevin molecular dynamics simulations are used to quantify the adsorbate-substrate coupling during the thermal diffusion of Na atoms on Cu(111). An analysis of trajectories within the local density friction approximation allows the contribution from electron-hole pair excitations to be separated from the total energy dissipation. Despite the minimal electronic friction coefficient of Na and the relatively small mass mismatch to Cu promoting efficient phononic dissipation, about (20±5)% of the total energy loss is attributable to electronic friction...
November 4, 2016: Physical Review Letters
Marta I Oliveira, Marta L Pinto, Raquel M Gonçalves, M Cristina L Martins, Susana G Santos, Mário A Barbosa
: Modulation of inflammatory responses to implanted biomaterials towards tissue regeneration has gained prominence as an innovative tissue engineering strategy. Recent in vitro and in vivo studies showed that Fibrinogen (Fg) adsorbed to Chitosan (Ch) substrates modulates immune cell responses, enhances the production of osteogenic factors by monocytes/macrophages and promotes bone regeneration, but the mechanisms involved remain poorly understood. Thus, the present work was conducted to clarify the molecular mechanisms of interaction between primary human monocytes and the above substrates...
November 14, 2016: Acta Biomaterialia
George Yiapanis, Adam Joseph Makarucha, Julia S Baldauf, Matthew T Downton
The free energy associated with transferring a set of fullerene particles through a finite water layer is calculated using explicit solvent molecular dynamic simulations. Each fullerene particle is a carbon network of one or more spheroidal shells of graphitic carbon, and include single-shell (single-wall) or nested multi-shelled (nano-onions) structures ranging from 6 to 28 Å in radius. Corresponding changes in energy suggest a stronger affinity of carbon nano-onions for water compared to their single-shelled analogues...
December 1, 2016: Nanoscale
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