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Molecular adsorbant

Fengnian Zhao, Yongxin She, Chao Zhang, Xiaolin Cao, Shanshan Wang, Lufei Zheng, Maojun Jin, Hua Shao, Fen Jin, Jing Wang
A selective analytical method for the simultaneous determination of 20 triazole fungicides and plant growth regulators in cucumber samples was developed using solid-phase extraction with specific molecularly imprinted polymers (MIPs) as adsorbents. The MIPs were successfully prepared by precipitation polymerization using triadimefon as the template molecule, methacrylic acid as the functional monomer, trimethylolpropane trimethacrylate as the crosslinker, and acetonitrile as the porogen. The performance and recognition mechanism for both the MIPs and non-molecularly imprinted polymers were evaluated using adsorption isotherms and adsorption kinetics...
August 22, 2017: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
Huihuang Xiong, Xiaqing Wu, Wenhui Lu, Junqing Fu, Hailong Peng, Jinhua Li, Xiaoyan Wang, Hua Xiong, Lingxin Chen
Zipper-like thermoresponsive molecularly imprinted polymers (MIPs) were prepared based on interpolymer complexation via the synergy of dual functional monomers of acrylamide (AAm) and 2-acrylamide-2-methyl propanesulfonic acid (AMPS) for selective recognition and extraction of estradiol (E2) by temperature regulation. The resulting E2-MIPs attained controlled adsorption and release of E2 in response to temperature change, with higher adsorption capacity (8.78mg/g) and stronger selectivity (imprinting factor was 3...
January 1, 2018: Talanta
Miguel Angel Angel Niño, Eduardo Flores, Carlos Sanchez, Juan M Rojo
The reactivity of an iron monosulfide surface exposed at room temperature to molecular nitrogen and hydrogen sulfide has been investigated using X-ray photoemission spectroscopy (XPS) and thermal desorption spectroscopy (TDS). We have observed adsorption of nitrogen at room temperature that depends on the surface nanostructure and on the electronic state of nitrogen. The subsequent reaction of this adsorbed nitrogen with hydrogen sulfide results in depletion of the nitrogen surface content which can be interpreted in terms of ammonia formation...
September 15, 2017: Journal of Physical Chemistry. B
Uma Shanker, Vidhisha Jassal, Manviri Rani
Polycyclic aromatic hydrocarbons (PAHs) the ubiquitous, persistent and carcinogenic environmental contaminants have raised concern worldwide. Recently, their removal methodologies are advanced after exploring nanomaterials. Therefore, degradation of selected toxic PAHs (3-5 rings) using potassium zinc hexacyanoferrate (KZnHCF) nanocubes was studied. Highly crystalline and sharp KZnHCF nanocubes (∼100 nm) were obtained by green route using sapindus mukorossi. In both water and soil, anthracene and phenanthrene were degraded to maximum extent (80-93%), whereas, the degradation of fluorene, chrysene and benzo (a) pyrene were ∼70-80%...
September 11, 2017: Journal of Environmental Management
Luis Fernando Mercier Franco, Ioannis George Economou, Marcelo Castier
We extend the SAFT-VR Mie equation of state to calculate adsorption isotherms by considering explicitly the residual energy due to the confinement effect. Assuming a square-well potential for the fluid-solid interactions, the structure imposed by the fluid-solid interface is calculated using two different approaches: an empirical expression proposed by Travalloni et al. (Chem. Eng. Sci., 65, 3088-3099, 2010), and a new theoretical expression derived by applying the mean value theorem. Adopting the SAFT-VR Mie (Lafitte et al...
September 14, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
Xiangrui Kong, Astrid Waldner, Fabrizio Orlando, Luca Artiglia, Thomas Huthwelker, Markus Ammann, Thorsten Bartels-Rausch
The interfacial ionization of strong acids is an essential factor of multi-phase and heterogeneous chemistry in environmental science, crysophereic science, catalysis research and material science. We investigate the mechanism of HCl dissociation at the ice surface using surface-sensitive ambient-pressure core level X-ray photoelectron spectroscopy. At 253 K and low surface coverage, adsorbed HCl is found in both states, molecular and dissociated. Depth profiles derived from XPS data clearly show that the dissociated acid is found deeper in the interfacial region compared to the molecular form...
September 13, 2017: Journal of Physical Chemistry Letters
Anand Mohan Verma, Nanda Kishore
The catalytic conversion of 2-hydroxybenzaldehyde (2-HB) is carried out numerically over a Pd(111) surface using density functional theory. The palladium catalyst surface is designed using a 12 atom monolayer and verified with the adsorption of phenol, benzene, anisole, guaiacol, and vanillin; it is found that the adsorption energies along with the adsorption configurations of phenol and benzene are in excellent agreement with the literature. The conversion of 2-HB over the Pd(111) catalyst surface is performed using four reaction schemes: (i) dehydrogenation of the formyl group followed by elimination of CO and association of hydrogen with 2-hydroxyphenyl to produce phenol, (ii) direct elimination of CHO from 2-HB followed by elimination of hydrogen from adsorbed CHO and association of hydrogen with 2-hydroxyphenyl to produce phenol, (iii) direct dehydroxylation of 2-HB followed by association of a hydrogen atom with 2-formylphenyl to produce benzaldehyde, and (iv) dehydrogenation of the hydroxyl group of 2-HB followed by elimination of an oxygen atom and association of a hydrogen atom with 2-formylphenyl to produce benzaldehyde...
September 13, 2017: Physical Chemistry Chemical Physics: PCCP
Hisako Sato, Kenji Tamura, Kazuyoshi Takimoto, Akihiko Yamagishi
Vibrational circular dichroism (VCD) spectroscopy was applied to study chirality recognition in the interlayer space of a clay mineral. Clay intercalation compounds including two kinds of chiral molecules were prepared. Firstly a cationic metal complex, Δ- or Λ-[Ru(phen)3](2+) (phen = 1,10-phenanthroline), was ion-exchanged into sodium montmorillonite. Thereafter a neutral organic molecule, R- or S-1,1'-bi-2-naphthol (denoted as R- or S-BINOL), was co-adsorbed. The solid state VCD spectra were recorded on the hybrid compounds thus prepared...
September 13, 2017: Physical Chemistry Chemical Physics: PCCP
Martin Börner, Laura Blömer, Marcus Kischel, Peter Richter, Georgeta Salvan, Dietrich R T Zahn, Pablo F Siles, Maria E N Fuentes, Carlos C B Bufon, Daniel Grimm, Oliver G Schmidt, Daniel Breite, Bernd Abel, Berthold Kersting
The chemisorption of magnetically bistable transition metal complexes on planar surfaces has recently attracted increased scientific interest due to its potential application in various fields, including molecular spintronics. In this work, the synthesis of mixed-ligand complexes of the type [Ni(II)2L(L')](ClO4), where L represents a 24-membered macrocyclic hexaazadithiophenolate ligand and L' is a ω-mercapto-carboxylato ligand (L' = HS(CH2)5CO2(-) (6), HS(CH2)10CO2(-) (7), or HS(C6H4)2CO2(-) (8)), and their ability to adsorb on gold surfaces is reported...
2017: Beilstein Journal of Nanotechnology
Tao Xu, Tobias Waehler, Julia Vecchietti, Adrian Bonivardi, Tanja Bauer, Johannes Schwegler, Peter Steffen Schulz, Peter Wasserscheid, Jörg Libuda
We have performed surface science model studies scrutinizing the interaction of ester-functionalized ionic liquids(ILs) with atomically defined Co3O4(111) and CoO(100) surfaces. Thin films of three ILs, 3-butyl-1-methyl imidazolium bis(trifluoromethyl-sulfonyl) imide ([BMIM][NTf2]), 3-(4-methoxyl-4-oxobutyl)-1-methylimidazolium bis(trifluoromethyl-sulfonyl) imide ([MBMIM][NTf2]), and 3-(4-iso¬propoxy-4-oxobutyl)-1-methylimidazolium bis(trifluoromethyl-sulfonyl) imide ([IPBMIM][NTf2]), were deposited on these surfaces by physical vapor deposition...
September 12, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Manik Chandra Sil, Vediappan Sudhakar, Munavvar Fairoos Mele Kavungathodi, Vellimalai Punitharasu, Jayaraj Nithyanandhan
Organic dyes possessing conjugated π-framework forms closely packed monolayers on photoanode in dye-sensitized solar cell (DSSC), because of the limitation to control the orientation and the extend of intermolecular π-π interaction, self-aggregation of dyes leads to reduced cell performance. In this report, a series of homodimeric (D1-D1 and D2-D2) and heterodimeric (D1-D2 and D2-D4) donor/acceptor (D/A) dyes containing spiroBiProDOT π-spacer were designed and synthesized by utilizing Pd-catalyzed direct arylation reaction and correlates the device performance with monomeric dyes (D1 and D2)...
September 12, 2017: ACS Applied Materials & Interfaces
Assya Boujemaoui, Carmen Cobo Sanchez, Joakim Engström, Carl Bruce, Linda Fogelström, Anna Carlmark, Eva Malmström
In the present work, cellulose nanocrystals (CNCs) have been surface-modified either via covalent grafting or through physisorption of poly(n-butyl methacrylate) (PBMA) and employed as reinforcement in PCL. Covalent grafting was achieved by surface-initiated atom transfer radical polymerization (SI-ATRP). Two approaches were utilized for the physisorption; either using micelles of poly(dimethyl aminoethylmethacrylate)-block-poly(n-butyl methacrylate) (PDMAEMA-b-PBMA) or latex nanoparticles of poly(dimethyl aminoethylmethacrylate-co-methacrylic acid)-block-poly(n-butyl methacrylate) (P(DMAEMA-co-MAA)-b-PBMA)...
September 12, 2017: ACS Applied Materials & Interfaces
Harkirat Kaur, Amit Bansiwal, Girivyankatesh Hippargi, Girish R Pophali
Adsorption of three pharmaceuticals and personal care products (PPCPs), namely caffeine, ibuprofen and triclosan on commercial powdered activated carbon was examined in aqueous medium. The contaminants were chosen based on their diverse log Kow (octanol-water partition coefficient) viz. - 0.07 for caffeine, 3.97 for ibuprofen and 4.76 for triclosan to examine the role of hydrophobicity on adsorption process. The adsorbent characterisation was achieved using BET surface area, SEM, pore size distribution studies and FTIR...
September 11, 2017: Environmental Science and Pollution Research International
Hadrián Montes-Campos, José Manuel Otero-Mato, Trinidad Méndez-Morales, Oscar Cabeza, Luis J Gallego, Alina Ciach, Luis M Varela
We perform molecular dynamics simulations of ionic liquids confined between graphene walls under a large variety of conditions (pure ionic liquids, mixtures with water and alcohols, mixtures with lithium salts and defective graphene walls). Our results show that the formation of striped and hexagonal patterns in the Stern layer can be considered as a general feature of ionic liquids at electrochemical interfaces, the transition between patterns being controlled by the net balance of charge in the innermost layer of adsorbed molecules...
September 11, 2017: Physical Chemistry Chemical Physics: PCCP
Zhao-Hong Hu, Yan-Fei Wang, Ahmed Mohamed Omer, Xiao-Kun OuYang
A novel adsorbent with high selectivity for fluoroquinolone (FQ) compounds was developed, based on the surface functionalization of magnetic carboxylated cellulose nanocrystals (M-CCNs) with molecularly imprinted polymer (MIP) comprising amine moieties. The imprinting was achieved by a radical polymerization technique, which uses glycidyl methacrylate, tetraethylenepentamine, ofloxacin, ethylene glycol dimethacrylate, and azobisisobutyronitrile as the functional monomer, active groups provider, template molecule, crosslinking agent, and initiator, respectively...
September 7, 2017: International Journal of Biological Macromolecules
Davide Viggiano, Emanuela de Pascale, Gaia Marinelli, Corrado Pluvio
Liver failure is associated to high mortality due to the accumulation of protein-bound metabolites, such as bilirubin, not removed by conventional hemodialysis. Different methods can efficiently remove them, such as the molecular adsorbent recirculating system (MARS), plasma exchange (PEX), and bilirubin or plasma adsorption perfusion (PAP). No direct comparison exists between MARS, PEX and PAP, and current guidelines do not specify which method (and when) to use. We have retrospectively evaluated MARS, PEX and PAP in their effectiveness in lowering plasma bilirubin concentration, and their effects on liver and kidney function...
September 8, 2017: Journal of Artificial Organs: the Official Journal of the Japanese Society for Artificial Organs
John R Lombardi
We present an expression for the lowest order nonzero contribution to the surface-enhanced Raman spectrum obtained from a system of a molecule adsorbed on a semiconductor nanoparticle. Herzberg-Teller vibronic coupling of the zero-order Born-Oppenheimer states results in an expression which may be regarded as an extension of the Albrecht A-, B-, and C-terms to SERS substrates. We show that the SERS enhancement is caused by combinations of several types of resonances in the combined system, namely, surface, exciton, charge-transfer, and molecular resonances...
September 8, 2017: Faraday Discussions
Eitan Mijiritsky, Letizia Ferroni, Chiara Gardin, Eriberto Bressan, Gastone Zanette, Adriano Piattelli, Barbara Zavan
An ideal tissue-engineered bone graft should have both excellent pro-osteogenesis and pro-angiogenesis properties to rapidly realize the bone regeneration in vivo. To meet this goal, in this work a porcine bone scaffold was successfully used as a Trojan horse to store growth factors produced by mesenchymal stem cells (MSCs). This new scaffold showed a time-dependent release of bioactive growth factors, such as vascular endothelial growth factor (VEGF) and basic fibroblast growth factor (bFGF), in vitro. The biological effect of the growth factors-adsorbed scaffold on the in vitro commitment of MSCs into osteogenic and endothelial cell phenotypes has been evaluated...
September 8, 2017: Materials
Yimeng Dai, Zongjia Chen, Yanglong Guo, Guanzhong Lu, Yifang Zhao, Haifeng Wang, P Hu
As an attractive and environmentally friendly process for propylene oxide (PO) production, direct epoxidation of propylene (DEP) with molecular oxygen catalyzed by metal-based catalysts such as Ag and Cu has drawn much attention, but remains one of the biggest challenges in chemistry. In this work, the crucial competitive reactions of propylene α-H stripping (AHS) versus the oxametallacycle formation (OMMP formation) using adsorbed atomic oxygen (O*) or adsorbed molecular oxygen (O2*) as an oxidant are extensively compared on IB group metal surfaces (Cu, Ag and Au) with varied electronic and structural effects in order to explore the possibility to enhance the PO selectivity by virtue of first-principles calculations...
September 8, 2017: Physical Chemistry Chemical Physics: PCCP
Baiyan Li, Xinglong Dong, Hao Wang, Dingxuan Ma, Kui Tan, Stephanie Jensen, Benjamin J Deibert, Joseph Butler, Jeremy Cure, Zhan Shi, Timo Thonhauser, Yves J Chabal, Yu Han, Jing Li
Effective capture of radioactive organic iodides from nuclear waste remains a significant challenge due to the drawbacks of current adsorbents such as low uptake capacity, high cost, and non-recyclability. We report here a general approach to overcome this challenge by creating radioactive organic iodide molecular traps through functionalization of metal-organic framework materials with tertiary amine-binding sites. The molecular trap exhibits a high CH3I saturation uptake capacity of 71 wt% at 150 °C, which is more than 340% higher than the industrial adsorbent Ag(0)@MOR under identical conditions...
September 7, 2017: Nature Communications
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