@article{GharabekyanKoetzPoghosyan2021, author = {Gharabekyan, Hrant H. and Koetz, Joachim and Poghosyan, Armen H.}, title = {A protonated L-cysteine adsorption on gold surface}, series = {Colloids and surfaces : an international journal devoted to the principles and applications of colloid and interface science ; A, Physicochemical and engineering aspects}, volume = {629}, journal = {Colloids and surfaces : an international journal devoted to the principles and applications of colloid and interface science ; A, Physicochemical and engineering aspects}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2021.127452}, pages = {7}, year = {2021}, abstract = {The adsorption of protonated L-cysteine onto Au(111) surface was studied via molecular dynamics method. The detailed examination of trajectories reveals that a couple of picoseconds need to be strongly adsorbed at the gold surface via L-cysteine's sulfur and oxygen atoms. The average distances of L-cysteine's adsorbed sulfur and oxygen from gold plane are-2.7 angstrom and-3.2 angstrom, correspondingly. We found that the adsorption of L-cysteine takes place preferentially at bridge site with possibility of-82\%. Discussing the conformation features of protonated L-cysteine, we consider that the most stable conformation of protonated L-cysteine is "reverse boat" position, where sulfur and oxygen pointed down to the gold surface, while the amino group is far from the gold surface.}, language = {en} } @article{MondalBhuniaAttallahetal.2016, author = {Mondal, Suvendu Sekhar and Bhunia, Asamanjoy and Attallah, Ahmed G. and Matthes, Philipp R. and Kelling, Alexandra and Schilde, Uwe and M{\"u}ller-Buschbaum, Klaus and Krause-Rehberg, Reinhard and Janiak, Christoph and Holdt, Hans-J{\"u}rgen}, title = {Study of the Discrepancies between Crystallographic Porosity and Guest Access into Cadmium-Imidazolate Frameworks and Tunable Luminescence Properties by Incorporation of Lanthanides}, series = {Chemistry - a European journal}, volume = {22}, journal = {Chemistry - a European journal}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0947-6539}, doi = {10.1002/chem.201504757}, pages = {6905 -- 6913}, year = {2016}, abstract = {An extended member of the isoreticular family of metal-imidazolate framework structures, IFP-6 (IFP=imidazolate framework Potsdam), based on cadmium metal and an in situ functionalized 2-methylimidazolate-4-amide-5-imidate linker is reported. A porous 3D framework with 1D hexagonal channels with accessible pore windows of 0.52nm has been synthesized by using an ionic liquid (IL) linker precursor. IFP-6 shows significant gas uptake capacity only for CO2 and CH4 at elevated pressure, whereas it does not adsorb N-2, H-2, and CH4 under atmospheric conditions. IFP-6 is assumed to deteriorate at the outside of the material during the activation process. This closing of the metal-organic framework (MOF) pores is proven by positron annihilation lifetime spectroscopy (PALS), which revealed inherent crystal defects. PALS results support the conservation of the inner pores of IFP-6. IFP-6 has also been successfully loaded with luminescent trivalent lanthanide ions (Ln(III)=Tb, Eu, and Sm) in a bottom-up one-pot reaction through the in situ generation of the linker ligand and in situ incorporation of photoluminescent Ln ions into the constituting network. The results of photoluminescence investigations and powder XRD provide evidence that the Ln ions are not doped as connectivity centers into the frameworks, but are instead located within the pores of the MOFs. Under UV light irradiation, Tb@IFP-6 and Eu@IFP-6 ((exc)=365nm) exhibit observable emission changes to a greenish and reddish color, respectively, as a result of strong Ln 4f emissions.}, language = {en} } @article{OmorogieBabalolaUnuabonahetal.2014, author = {Omorogie, Martins O. and Babalola, Jonathan Oyebamiji and Unuabonah, Emmanuel I. and Gong, Jian R.}, title = {Hybrid materials from agro-waste and nanoparticles: implications on the kinetics of the adsorption of inorganic pollutants}, series = {Environmental technology}, volume = {35}, journal = {Environmental technology}, number = {5}, publisher = {Routledge, Taylor \& Francis Group}, address = {Abingdon}, issn = {0959-3330}, doi = {10.1080/09593330.2013.839747}, pages = {611 -- 619}, year = {2014}, abstract = {This study is a first-hand report of the immobilization of Nauclea diderrichii seed waste biomass (ND) (an agro-waste) with eco-friendly mesoporous silica (MS) and graphene oxide-MS (GO+MS ) nanoparticles, producing two new hybrid materials namely: MND adsorbent for agro-waste modified with MS and GND adsorbent for agro-waste modified with GO+MS nanoparticles showed improved surface area, pore size and pore volume over those of the agro-waste. The abstractive potential of the new hybrid materials was explored for uptake of Cr(III) and Pb(II) ions. Analysis of experimental data from these new hybrid materials showed increased initial sorption rate of Cr(III) and Pb(II) ions uptake. The amounts of Cr(III) and Pb(II) ions adsorbed by MND and GND adsorbents were greater than those of ND. Modification of N. diderrichii seed waste significantly improved its rate of adsorption and diffusion coefficient for Cr(III) and Pb(II) more than its adsorption capacity. The rate of adsorption of the heavy metal ions was higher with GO+MS nanoparticles than for other adsorbents. Kinetic data were found to fit well the pseudo-second-order and the diffusion-chemisorption kinetic models suggesting that the adsorption of Cr(III) and Pb(II) onto these adsorbents is mainly through chemisorption mechanism. Analysis of kinetic data with the homogeneous particle diffusion kinetic model suggests that particle diffusion (diffusion of ions through the adsorbent) is the rate-limiting step for the adsorption process.}, language = {en} } @article{OtterMondalAlrefaietal.2021, author = {Otter, Dirk and Mondal, Suvendu Sekhar and Alrefai, Anas and Kr{\"a}tz, Lorenz and Holdt, Hans-J{\"u}rgen and Bart, Hans-J{\"o}rg}, title = {Characterization of an isostructural MOF series of Imidazolate Frameworks Potsdam by means of sorption experiments with water vapor}, series = {Nanomaterials}, volume = {11}, journal = {Nanomaterials}, number = {6}, publisher = {MDPI}, address = {Basel}, issn = {2079-4991}, doi = {10.3390/nano11061400}, pages = {20}, year = {2021}, abstract = {Sorption measurements of water vapor on an isoreticular series of Imidazolate Frameworks Potsdam (IFP), based on penta-coordinated metal centers with secondary building units (SBUs) connected by multidentate amido-imidate-imidazolate linkers, have been carried out at 303.15 K. The isotherm shapes were analyzed in order to gain insight into material properties and compared to sorption experiments with nitrogen at 77.4 K and carbon dioxide at 273.15 K. Results show that water vapor sorption measurements are strongly influenced by the pore size distribution while having a distinct hysteresis loop between the adsorption and desorption branch in common. Thus, IFP-4 and -8, which solely contain micropores, exhibit H4 (type I) isotherm shapes, while those of IFP-1, -2 and -5, which also contain mesopores, are of H3 (type IV) shape with three inflection points. The choice of the used linker substituents and transition metals employed in the framework has a tremendous effect on the material properties and functionality. The water uptake capacities of the examined IFPs are ranging 0.48 mmol g(-1) (IFP-4) to 6.99 mmol g(-1) (IFP-5) and comparable to those documented for ZIFs. The water vapor stability of IFPs is high, with the exception of IFP-8.}, language = {en} } @article{PerovicAloniMastaietal.2020, author = {Perovic, Milena and Aloni, Sapir Shekef and Mastai, Yitzhak and Oschatz, Martin}, title = {Mesoporous carbon materials with enantioselective surface obtained by nanocasting for selective adsorption of chiral molecules from solution and the gas phase}, series = {Carbon}, volume = {170}, journal = {Carbon}, publisher = {Elsevier}, address = {Oxford}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.08.010}, pages = {550 -- 557}, year = {2020}, abstract = {Separation of enantiomers is an everlasting challenge in chemistry, catalysis, and synthesis of pharmaceuticals. The design and fabrication of chiral adsorbent materials is a promising way to increase the surface area of chiral information, as well as to maximize the available surface for the adsorption of one enantiomer. Porous materials such as silica or metal-organic-frameworks are established compounds in this field, due to their well-defined surface structure and ease of functionalization with chiral groups. As another class of porous materials, carbons provide the advantages of high thermal and chemical stability, resistance against moisture, electrical conductivity, and widely tunable pore size. Although they are well established in many adsorption-related applications, carbons received far less attention in enantioselective adsorption processes because the controlled functionalization of their surface is rather difficult due to the chemically heterogeneous atoms in the network. A suitable approach to overcome this limitation is the synthesis of chiral carbons directly from chiral precursors. So far, chiral carbons synthesized from chiral precursors used salt-templating as a way of introducing porosity, which resulted in mainly microporous materials or materials with broad pore size distribution. In the present study, the possibility of combining nanocasting as an alternative templating approach with chiral ionic liquids as a carbon precursor is demonstrated. Chiral recognition is measured in the gas phase, by adsorption of chiral gas, as well as in the solution, by using isothermal titration calorimetry. (C) 2020 Elsevier Ltd. All rights reserved.}, language = {en} }