Grand canonical Monte Carlo (GCMC) simulations employing a rigid framework are performed to explore the adsorption behaviors of some aromatics in the purely siliceous MCM-22 zeolite, ITQ-1. Benzene, toluene, m-xylene and o-xylene are separately simulated at 315 K, investigating a series of pressure from 0.1 to 14 kPa. The potential adsorbed sites of the studied molecules are determined from the...

A series of ruthenium compounds containing a pyrrole-ketone bidentate ligand, 2-(2'-methoxybenzoyl)pyrrole (1), have been synthesized and characterized. Reacting 1 with [(η⁶-cymene)RuCl₂]₂ and RuHCl(CO)(PPh₃)₃ generated Ru(η⁶-cymene)[C₄H₃N-2-(CO-C₆H₄-2-OMe)]Cl (2) and {RuCl(CO)(PPh₃)₂[C₄H₃N-2-(COC₆H₄-2-OMe)]} (3), respectively, in moderate yields. Successively reacting 2 with sodium cyanate and...

Three ureido-pyrimidone derivatives (N-LH) were used to generate in combination with four dinuclear arene ruthenium clips, (p-cymene)2Ru2(OO∩OO)Cl2 (OO∩OO 1⁄4 oxalato, 2,5-dioxido-1,4-benzoquinonato, 2,5-dichloro-1,4-benzoquinonato, 5,8-dioxido-1,4-naphtoquinonato), twelve cationic arene ruthenium metalla-cycles of the general formula [(p-cymene)2Ru2(OO∩OO)(N-L)2]2(CF3SO3)4. The ureidopyrimidon...

Interactions between three hexacationic arene ruthenium metallaprisms, [(p-cymene)6Ru6(tpt)2(dhnq)3](6+), [(p-cymene)6Ru6(tpt)2(dhbq)3](6+) and [(p-cymene)6Ru6(tpt)2(oxa)3](6+), and a series of human proteins including human serum albumin, transferrin, cytochrome c, myoglobin and ubiquitin have been studied using NMR spectroscopy, mass spectrometry and circular dichroism spectroscopy. All data ...

Xylene isomers are crucial chemical intermediates in great demand worldwide; the almost identical physicochemical properties render their current separation approach energy consuming. In this study, we utilized soft porous coordination polymer (PCP)’s isomer-specific structural transformation, realizing o-xylene (oX) recognition/separation from binary and ternary isomer mixtures. This PCP has a...

In this study, performance evaluation for the gas-phase o-xylene removal using a xylene-acclimated biotrickling filter (BTF) was conducted. Substrate interactions during aerobic biodegradation of three poorly soluble compounds, both individually and in paired mixtures (namely, o-xylene and ethyl acetate, o-xylene and dichloromethane, which are common solvents used by pharmaceutical industry), w...

background: benzene, toluene, ethyl benzene and xylene compounds (btex) are very dangerous in terms of health and environmental and have high toxicity in aquatic environment. the purpose of this study was to investigate the performance analysis of petroleum hydrocarbons xylene using solar radiation uv/tio2 method in industrial synthetic waste . methods: an experimental-interventional study was ...

High selectively catalytic conversion of lignin-based phenols (m-cresol, p-cresol, and guaiacol) into para-/m-xylene was performed over Pt/HZSM-5 through hydrodeoxygenation and in situ methylation with methanol. It is found that the p-/m-xylene selectivity is uniformly higher than 21%, and even increase up to 33.5% for m-cresol (with phenols/methanol molar ratio of 1/8). The improved p-/m-xylen...

A series of cationic metalla-rectangles of the general formula [(p-cymene)(4)Os(4)(OO[intersection]OO)(2)(N[intersection]N)(2)](4+) have been obtained in methanol from the dinuclear arene osmium precursors [(p-cymene)(2)Os(2)(OO[intersection]OO)(2)Cl(2)] (OO[intersection]OO = 2,5-dioxydo-1,4-benzoquinonato (dhbq), 2,5-dichloro-1,4-benzoquinonato (dcbq)) by reaction with bipyridine linkers (N[in...

BACKGROUND A comparative analysis by using static headspace (HS) and steam distillation (SD) GC-MS of the volatile and the semi-volatile secondary metabolites from leaves of cultivated Majorana syriaca. METHODS The essential oils endogenous to cultivated thyme were isolated and identified by HS-GC-MS technology and compared to those from SD-GC-MS. RESULTS The HS-GC-MS results showed that th...