(E)-2-tert-Butyl-6-[(naphthalen-1-yl)imino­meth­yl]phenol

The asymmetric unit of the title Schiff base compound, C21H21NO, contains two crystallographicaly independent mol­ecules. The dihedral angles between the naphthalene mean plane and the benzene ring are 29.28 (8) and 26.92.(8)° in the two mol­ecules. An intra­molecular O—H⋯N hydrogen bond and weak intra­molecular C—H⋯O hydrogen bonds stabilize the structure of each independent mol­ecule

4,4′-Dimeth­oxy-2,2′-{[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a-octa­hydro-1H-1,3-benzimidazole-1,3-diyl]bis(methyl­ene)}diphenol

The title compound, C23H30N2O4, is a Mannich base useful for studying the effect of an electron-donating phenol substituent on intra­molecular hydrogen bonding. In the mol­ecular structure, the cyclo­hexane ring adopts a chair conformation and the five-membered ring has a twisted envelope conformation. Each meth­oxy group is oriented in the same plane of the respective aromatic ring, showing torsion angles below 11.8 (3)° and bond angles between the meth­oxy group and the aromatic ring of 116.6 (2) and 116.6 (1)°. The structure shows inter­actions between two the N atoms of the heterocyclic ring and the hy­droxy groups by intra­molecular O—H⋯N hydrogen-bonding inter­actions. In the crystal, C—H⋯O inter­actions are observed. The crystal studied was a racemic mixture of RR and SS enanti­omers

2-tert-Butyl-6-(cyclo­hexyl­imino­meth­yl)-4-meth­oxy­phenol

The asymmetric unit of the title Schiff base compound, C18H27NO2, contains two independent mol­ecules in which the C=N bond lengths are 1.278 (2) and 1.280 (2) Å and the cyclo­hexane rings adopt chair conformations. Intra­molecular O—H⋯N hydrogen bonding between hy­droxy and imine groups and weak C—H⋯O hydrogen bonds help to stabilize the mol­ecular structure

Synthesis and Characterization of PMBN as A Biocompatible Nanopolymer for Bio-Applications

Objective Poly [2-methacryloyloxyethyl phosphoryl choline (MPC)-co-n-buthyl methacrylate (BMA)-co-p-nitrophenyl-oxycrabonyl poly ethylene glycol-methacrylate (ME- ONP)] (PMBN), a biocompatible terpolymer, is a unique polymer with applications that range from drug delivery systems (DDS) to scaffolds and biomedical devices. In this research, we have prepared a monomer of p-nitrophenyl-oxycarbonyl poly (ethylene glycol) methacrylate (MEONP) to synthesize this polymer. Next, we designed and prepared a smart, water soluble, amphiphilic PMBN polymer composed of MPC, BMA, and MEONP. Materials and Methods In this experimental study, we dissolved MPC (4 mmol, 40% mole fraction), BMA (5 mmol, 50% mole fraction), and MEONP (1 mmol, 10% mole fraction) in 20 ml of dry ethanol in two necked flasks equipped with inlet-outlet gas. The structural characteristics of the synthesized monomer and polymer were determined by Fourier transform infrared spectroscopy (FT-IR), proton nuclear magnetic resonance (H-NMR), dynamic light scattering (DLS), gel permeation chromatography (GPC), scanning electron microscope (SEM), and transmission electron microscope (TEM) analyses for the first time. We treated the polymer with two different cell lines to determine its biocompatibility. Results FT-IR and H-NMR analyses confirmed the synthesis of the polymer. The size of polymer was approximately 40 nm with a molecular weight (MW) of 52 kDa, which would be excellent for a nano carrier. Microscopic analyses showed that the polymer was rodshaped. This polymer had no toxicity for individual cells. Conclusion We report here, for the first time, the full properties of the PMBN polymer. The approximately 40 nm size with an acceptable zeta potential range of -8.47, PDI of 0.1, and rod-shaped structure indicated adequate parameters of a nanopolymer for nano bioapplications. We used this polymer to design a new smart nano carrier to treat leukemia stem cells based on a target DDS as a type of bio-application

Exploring Basic Components Effect on the Catalytic Efficiency of Chevron-Phillips Catalyst in Ethylene Trimerization

In the present work, the effect of basic components on the energy pathway of ethylene oligomerization using the landmark Chevron-Phillips catalyst has been explored in detail, using density functional theory (DFT). Studied factors were chosen considering the main components of the Chevron-Phillips catalyst, i.e., ligand, cocatalyst, and halocarbon compounds, comprising (i) the type of alkyl substituents in pyrrole ligand, i.e., methyl, iso-propyl, tert-butyl, and phenyl, as well as the simple hydrogen and the electron withdrawing fluoro and trifluoromethyl; (ii) the number of Cl atoms in Al compounds (as AlMe2Cl, AlMeCl2 and AlCl3), which indicate the halocarbon level, and (iii) cocatalyst type, i.e., alkylboron, alkylaluminium, or alkylgallium. Besides the main ingredients, the solvent effect (using toluene or methylcyclohexane) on the oligomerization pathway was also explored. In this regard, the full catalytic cycles for the main product (1-hexene) formation, as well as side reactions, i.e., 1-butene release and chromacyclononane formation, were calculated on the basis of the metallacycle-based mechanism. According to the obtained results, a modification on the Chevron-Phillips catalyst system, which demonstrates higher 1-hexene selectivity and activity, is suggested

Exploring Basic Components Effect on the Catalytic Efficiency of Chevron-Phillips Catalyst in Ethylene Trimerization

In the present work, the effect of basic components on the energy pathway of ethylene oligomerization using the landmark Chevron-Phillips catalyst has been explored in detail, using density functional theory (DFT). Studied factors were chosen considering the main components of the Chevron-Phillips catalyst, i.e., ligand, cocatalyst, and halocarbon compounds, comprising (i) the type of alkyl substituents in pyrrole ligand, i.e., methyl, iso-propyl, tert-butyl, and phenyl, as well as the simple hydrogen and the electron withdrawing fluoro and trifluoromethyl; (ii) the number of Cl atoms in Al compounds (as AlMe2Cl, AlMeCl2 and AlCl3), which indicate the halocarbon level, and (iii) cocatalyst type, i.e., alkylboron, alkylaluminium, or alkylgallium. Besides the main ingredients, the solvent effect (using toluene or methylcyclohexane) on the oligomerization pathway was also explored. In this regard, the full catalytic cycles for the main product (1-hexene) formation, as well as side reactions, i.e., 1-butene release and chromacyclononane formation, were calculated on the basis of the metallacycle-based mechanism. According to the obtained results, a modification on the Chevron-Phillips catalyst system, which demonstrates higher 1-hexene selectivity and activity, is suggestedThis research was funded by Spanish MINECO for a project CTQ2014-59832-JIN, and EU for a FEDER fund (UNGI08-4E-003