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Molecular adsorbant

Xiaorong Zhang, Aysu Yarman, Júlia Erdossy, Sagie Katz, Ingo Zebger, Katharina J Jetzschmann, Zeynep Altintas, Ulla Wollenberger, Róbert E Gyurcsányi, Frieder W Scheller
Molecularly imprinted polymer (MIP) nanofilms for transferrin (Trf) have been synthesized on gold surfaces by electro-polymerizing the functional monomer scopoletin in the presence of the protein target or around pre-adsorbed Trf. As determined by atomic force microscopy (AFM) the film thickness was comparable with the molecular dimension of the target. The target (re)binding properties of the electro-synthesized MIP films was evaluated by cyclic voltammetry (CV) and square wave voltammetry (SWV) through the target-binding induced permeability changes of the MIP nanofilms to the ferricyanide redox marker, as well as by surface plasmon resonance (SPR) and surface enhanced infrared absorption spectroscopy (SEIRAS) of the immobilized protein molecules...
January 9, 2018: Biosensors & Bioelectronics
Liqing Li, Xiancheng Ma, Ruofei Chen, Chunhao Wang, Mingming Lu
Nitrogen-doped porous carbon (ZC) is prepared by modification with ammonia for increasing the specific surface area and surface polarity after carbonization of zeolite imidazole framework-8 (ZIF-8). The structure and properties of these ZCs were characterized by Transmission electron microscopy, X-ray diffraction, N₂ sorption, X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. Through static adsorption tests of these carbons, the sample obtained at 600 °C was selected as an excellent adsorbent, which exhibited an excellent acetone capacity of 417...
January 19, 2018: Materials
Zhihua Wang, Changliang Hou, Qinma De, Fubo Gu, Dongmei Han
Uniform and monodisperse Co-doped In2O3 nanorods were fabricated by a facile and environmentally friendly hydrothermal strategy that combined the subsequent annealing process, and their morphology, structure and formaldehyde (HCHO) gas sensing performance were investigated systematically. Both pure and Co-doped In2O3 nanorods had a high specific surface area, which could offer abundant reaction sites to gas molecular diffusion and improve the response of gas sensor. Results revealed that the In2O3/1%Co nanorods exhibited a higher response of 23...
January 19, 2018: ACS Sensors
Xiaoqin Wang, Guizhen Li, Kyung Ho Row
Novel magnetic molecularly imprinted polymers (MMIPs) with multiple-template based on silica were modified by four types of deep eutectic solvents (DESs) for the rapid simultaneous magnetic solid-phase extraction (MSPE) of tanshinone Ⅰ, tanshinone ⅡA, and cryptotanshinone from salvia miltiorrhiza bunge; glycitein, genistein, and daidzein from glycine max (Linn.) merr; and epicatechin, epigallocatechin gallate, and epicatechin gallate from green tea, respectively. The synthesized materials were characterized by Fourier transform infrared spectroscopy and field emission scanning electron microscopy...
January 19, 2018: Electrophoresis
Hiroki Yamaguchi, Yu Matsuda, Tomohide Niimi
Gas-surface interaction is studied by the molecular dynamics method to investigate qualitatively characteristics of accommodation coefficients. A large number of trajectories of gas molecules colliding to and scattering from a surface are statistically analyzed to calculate the energy (thermal) accommodation coefficient (EAC) and the tangential momentum accommodation coefficient (TMAC). Considering experimental measurements of the accommodation coefficients, the incident velocities are stochastically sampled to represent a bulk condition...
July 2017: Physical Review. E
Alexandr Malijevský, Andrew O Parry, Martin Pospíšil
We study the adsorption of a fluid in the grand canonical ensemble occurring at a planar heterogeneous wall which is decorated with a chemical stripe of width L. We suppose that the material of the stripe strongly preferentially adsorbs the liquid in contrast to the outer material which is only partially wet. This competition leads to the nucleation of a droplet of liquid on the stripe, the height h_{m} and shape of which (at bulk two-phase coexistence) has been predicted previously using mesoscopic interfacial Hamiltonian theory...
September 2017: Physical Review. E
Miao Xie, Fu-Quan Bai, Jinjian Wang, Yue-Qing Zheng, Zhenyang Lin
Dye sensitizers play an important role in dye-sensitized solar cells (DSSCs). As a promising strategy for the design of novel porphyrin sensitizers, the asymmetric modification of the porphyrin ring to meso-link porphyrin sensitizer has emerged in recent years, which can improve the light-harvesting properties and enhance the electron distribution. In this work, in order to reveal the essence of the effect of unsymmetrical substitution on the performance of β-link porphyrin dyes in DSSCs, four kinds of common β-link porphyrin dyes with different structures are calculated by using density functional theory (DFT) and time-dependent density functional theory (TD-DFT)...
January 18, 2018: Physical Chemistry Chemical Physics: PCCP
Parthasarathi Dastidar, Rajdip Roy, Tapas Kumar Adalder
A well-studied supramolecular synthon namely secondary ammonium monocarboxylate (SAM) was exploited to generate a new series of organic salts derived from variously substituted phenylacetic acid (PA) and dicyclohexyl amine (DCA) as potential low molecular weight gelators (LMWGs). As much as 25% of the SAM salts under study were gelators. The gels were characterized by rheology and the morphology of the gel networks was studied by high resolution electron microscopy. Single crystal and powder X-ray diffraction data were employed to study structure-property (gelation) correlation...
January 18, 2018: Chemistry, An Asian Journal
Xuemei Wang, Pengfei Huang, Xiaomin Ma, Xinzhen Du, Xiaoquan Lu
Novel magnetic mesoporous molecularly imprinted polymers (MMIPs) were prepared based on surface precipitation polymerization using Triclosan (TCS) as template and methacrylic acid as functional monomer. The synthesized MMIPs-TCS were applied to the adsorbent of magnetic solid-phase extraction (MSPE) coupled with HPLC for the enrichment and determination of TCS. The MMIPs-TCS were characterized by fourier-transform infrared spectrometry (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), N2 adsorption-desorption transmission, and vibrating sample magnetometry...
January 10, 2018: Journal of Chromatography. A
Jordan Muscatello, Enrique Chacón, Pedro Tarazona, Fernando Bresme
The interfacial thermal resistance determines condensation-evaporation processes and thermal transport across material-fluid interfaces. Despite its importance in transport processes, the interfacial structure responsible for the thermal resistance is still unknown. By combining nonequilibrium molecular dynamics simulations and interfacial analyses that remove the interfacial thermal fluctuations we show that the thermal resistance of liquid-vapor interfaces is connected to a low density fluid layer that is adsorbed at the liquid surface...
July 28, 2017: Physical Review Letters
Tyson C Davis, Jae Jin Bang, Jacob T Brooks, David G McMillan, Shelley A Claridge
Noncovalent monolayer chemistries are often used to functionalize 2D materials. Nanoscopic ligand ordering has been widely demonstrated (e.g., lying-down lamellar phases of functional alkanes); however, combining this control with micro- and macroscopic patterning for practical applications remains a significant challenge. A few reports have demonstrated that standing phase Langmuir films on water can be converted into nanoscopic lying-down molecular domains on 2D substrates (e.g., graphite), using horizontal dipping (Langmuir-Schaefer, LS, transfer)...
January 17, 2018: Langmuir: the ACS Journal of Surfaces and Colloids
Naisheng Jiang, Mani Sen, Wenduo Zeng, Zhizhao Chen, Justin M Cheung, Yuma Morimitsu, Maya K Endoh, Tadanori Koga, Masafumi Fukuto, Guangcui Yuan, Sushil K Satija, Jan-Michael Y Carrillo, Bobby G Sumpter
Here we report a link between the interfacial structure and adhesive property of homopolymer chains physically adsorbed (i.e., via physisorption) onto solids. Polyethylene oxide (PEO) was used as a model and two different chain conformations of the adsorbed polymer were created on silicon substrates via the well-established Guiselin's approach: "flattened chains" which lie flat on the solid and are densely packed, and "loosely adsorbed polymer chains" which form bridges jointing up nearby empty sites on the solid surface and cover the flattened chains...
January 17, 2018: Soft Matter
Xiaojie Chen, D Peter Tieleman, Qing Liang
The interactions between nanoparticles and lipid bilayers are critical in applications of nanoparticles in nanomedicine, cell imaging, toxicology, and elsewhere. Here, we investigate the interactions between nanoparticles coated with neutral and/or charged ligands and phase-separated lipid bilayers using coarse-grained molecular dynamics simulation. Both penetration and adsorption processes as well as the final distribution of the nanoparticles can be readily modulated by varying the ligand density and the surface charge of the nanoparticles...
January 17, 2018: Nanoscale
Xiaochuan Ma, Sangyun Lee, Xingshu Fei, Ge Fang, Tien Huynh, Yu Chong, Zhifang Chai, Cuicui Ge, Ruhong Zhou
Due to its hydrophobicity and other unique physicochemical properties, graphene oxide (GO) has been extensively utilized in various biological applications. However, introducing nanomaterials into the biological environment may raise serious risk in terms of nanotoxicity, leading to some unintended changes to the structure and the function of other biomolecules. This study investigates the interaction of GO with the ubiquitin-proteasome system, one of the essential machineries in the cellular metabolism, using a combination of experimental and computational approaches...
January 16, 2018: Nanotoxicology
Cheng Cheng, Xilin Zhang, Mingyang Wang, Shiyan Wang, Zongxian Yang
The geometric stability, electronic structure and catalytic properties of a single Pd atom deposited on a pristine Mo2CO2 monolayer and a defective Mo2CO2 monolayer with an oxygen vacancy (denoted as Pd/OV-Mo2CO2) are systematically investigated through density functional theory. We find that the oxygen vacancy (OV) can stabilize the single Pd atom and make the Pd/OV-Mo2CO2 system an excellent mono-dispersed atomic catalyst. The Pd dopant serves as an active center which makes the intermediates react productively around it...
January 16, 2018: Physical Chemistry Chemical Physics: PCCP
Zhenkun Lin, Yanfang Zhang, Yu Su, Jinxia Qi, Yinhang Jia, Changjiang Huang, Qiaoxiang Dong
One-monomer molecularly imprinted magnetic nanoparticles were prepared as adsorbents for selective extraction of bisphenol A from water in this study. A single bi-functional monomer was adopted for preparation of the molecularly imprinted polymer, avoiding the tedious trial-and-error optimizations as traditional strategy. Moreover, bisphenol F was used as the dummy template for bisphenol A to avoid the interference from residual template molecules. These nanoparticles not only showed large adsorption capacity and good selectivity to the bisphenol A, but also outstanding magnetic response performance...
January 15, 2018: Journal of Separation Science
Guihua Gao, Sijia Li, Shuo Li, Yudan Wang, Pan Zhao, Xiangyu Zhang, Xiaohong Hou
In this work, computational and experimental methods were used to study the adsorption of estrogens and glucocorticoids on metal-organic frameworks (MOFs). Computer-aided molecular simulation was applied to predict the adsorption of eight analytes on four MOFs (MIL-101(Cr), MIL-100(Fe), MIL-53(Al), and UiO-66(Zr)) by examining molecular interactions and calculating free binding energies. Subsequently, the four water-stable MOFs were synthesized and evaluated as adsorbents for the target hormones in aqueous solution...
April 1, 2018: Talanta
Marigianna Marinou, Dimitrios Platis, Farid S Ataya, Evangelia Chronopoulou, Dimitrios Vlachakis, Nikolaos E Labrou
In the present study, a structure-based approach was exploited for the in silico design of a nucleotide coenzyme mimetic ligand. The enzyme formate dehydrogenase (FDH) was employed as a model in our study. The biomimetic ligand was designed and synthesized based on a tryptamine/3-aminopropylphosphonic acid bi-substituted 1,3,5-triazine (Trz) scaffold (Tra-Trz-3APP), which potentially mimics the interactions of NAD+-FDH complex. Molecular docking studies of the biomimetic ligand predicted that it can occupy the same binding site as the natural coenzyme...
January 3, 2018: Journal of Chromatography. A
Wanwan Ma, Kyung Ho Row
A type of magnetic ionic liquid based molecularly imprinted polymer coated on SiO2 (Fe3O4@SiO2@IL-MIPs) was prepared with 1-vinyl-3-ethylimidazole ionic liquid as functional monomer, and 1,4-butane-3,3'-bis-1-ethylimidazole ionic liquid as cross linker, 4-Chlorophenol as template was successfully applied as a selective adsorbent for selective extraction of 5 chlorophenols in seawater samples by using the magnetic solid-phase extraction (MSPE) method. 11 types of Fe3O4@SiO2@IL-MIPs were synthesized and investigated for their different compositions of functional monomer (such as [C2min][Br], [C2min][BF4], [C2min][PF6], acrylamide, methacrylic acid and 4-vinyl pyridine) and cross-linker (such as [C4min2][Br], [C4min2][BF4], [C4min2][PF6], divinylbenzene, and ethylene glycol dimethacrylate), respectively...
January 6, 2018: Journal of Chromatography. A
Dapeng Wang, Haichao Wu, Daniel K Schwartz
Theoretical predictions have suggested that molecular motion at interfaces-which influences processes including heterogeneous catalysis, (bio)chemical sensing, lubrication and adhesion, and nanomaterial self-assembly-may be dominated by hypothetical "hops" through the adjacent liquid phase, where a diffusing molecule readsorbs after a given hop according to a probabilistic "sticking coefficient." Here, we use three-dimensional (3D) single-molecule tracking to explicitly visualize this process for human serum albumin at solid-liquid interfaces that exert varying electrostatic interactions on the biomacromolecule...
December 29, 2017: Physical Review Letters
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