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Organometallic Compounds 2015
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Organometallic Compounds 2015

A special issue of Materials (ISSN 1996-1944).

Deadline for manuscript submissions: closed (31 July 2015) | Viewed by 16639

Special Issue Editor

Dr. Łukasz John

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Guest Editor
Faculty of Chemistry, University of Wrocław, Wrocław, Poland
Interests: chemistry of hybrid materials and functional polymers; synthesis of functionalized polyhedral oligomeric silsesquioxanes; hybrid biomaterials based on organosilicon interpenetrating polymer networks
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The wide range of applications for organometallic compounds and their derivatives has created, and continues to create, a strong impetus for synthesizing novel materials and processing technologies. Organometallic species constitute an enormous palette of compounds with broad structural diversity and applications. These species find practical uses in various areas, including organic synthesis, coordination chemistry, organometallic polymerization catalysis, click chemistry, functional materials development, etc. Furthermore, organometallic chemists set new approaches in the field of molecular and supramolecular chemistry, hybrid organic-inorganic systems, bioorganometallic chemistry, and electrochemistry. From this perspective, organometallic chemistry, without a doubt, constitutes the foundation for preparing sophisticated materials with improved properties and new synthetic trends.

It is my pleasure to warmly invite you to submit a manuscript for this Special Issue. Full papers, communications, and critical reviews are all welcome.

Dr. Łukasz John
Guest Editor

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Keywords

  • Organometallic compounds
  • Organometalloidal compounds
  • Organosilicon chemistry
  • Organometallic synthesis
  • Catalysis
  • Organometallic polymers and materials
  • Organometallic polymerization catalysis
  • Hybrid organic-inorganic materials
  • Coordination polymer

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Published Papers (3 papers)

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Research

244 KiB  
Article
Ferrocene Orientation Determined Intramolecular Interactions Using Energy Decomposition Analysis
by Feng Wang, Shawkat Islam and Vladislav Vasilyev
Materials 2015, 8(11), 7723-7737; https://doi.org/10.3390/ma8115419 - 16 Nov 2015
Cited by 13 | Viewed by 6440
Abstract
Two very different quantum mechanically based energy decomposition analyses (EDA) schemes are employed to study the dominant energy differences between the eclipsed and staggered ferrocene conformers. One is the extended transition state (ETS) based on the Amsterdam Density Functional (ADF) package and the [...] Read more.
Two very different quantum mechanically based energy decomposition analyses (EDA) schemes are employed to study the dominant energy differences between the eclipsed and staggered ferrocene conformers. One is the extended transition state (ETS) based on the Amsterdam Density Functional (ADF) package and the other is natural EDA (NEDA) based in the General Atomic and Molecular Electronic Structure System (GAMESS) package. It reveals that in addition to the model (theory and basis set), the fragmentation channels more significantly affect the interaction energy terms (ΔE) between the conformers. It is discovered that such an interaction energy can be absorbed into the pre-partitioned fragment channels so that to affect the interaction energies in a particular conformer of Fc. To avoid this, the present study employs a complete fragment channel—the fragments of ferrocene are individual neutral atoms. It therefore discovers that the major difference between the ferrocene conformers is due to the quantum mechanical Pauli repulsive energy and orbital attractive energy, leading to the eclipsed ferrocene the energy preferred structure. The NEDA scheme further indicates that the sum of attractive (negative) polarization (POL) and charge transfer (CL) energies prefers the eclipsed ferrocene. The repulsive (positive) deformation (DEF) energy, which is dominated by the cyclopentadienyle (Cp) rings, prefers the staggered ferrocene. Again, the cancellation results in a small energy residue in favour of the eclipsed ferrocene, in agreement with the ETS scheme. Further Natural Bond Orbital (NBO) analysis indicates that all NBO energies, total Lewis (no Fe) and lone pair (LP) deletion all prefer the eclipsed Fc conformer. The most significant energy preferring the eclipsed ferrocene without cancellation is the interactions between the donor lone pairs (LP) of the Fe atom and the acceptor antibond (BD*) NBOs of all C–C and C–H bonds in the ligand, LP(Fe)-BD*(C–C & C–H), which strongly stabilizes the eclipsed (D5h) conformation by −457.6 kcal·mol−1. Full article
(This article belongs to the Special Issue Organometallic Compounds 2015)
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2249 KiB  
Communication
1-(Triethoxysilyl)buta-1,3-dienes—New Building Blocks for Stereoselective Synthesis of Unsymmetrical (E,E)-1,4-Disubstituted 1,3-dienes
by Justyna Szudkowska-Frątczak, Mariusz Taczała and Piotr Pawluć
Materials 2015, 8(11), 7250-7256; https://doi.org/10.3390/ma8115378 - 28 Oct 2015
Cited by 4 | Viewed by 5032
Abstract
A convenient methodology for the highly stereoselective synthesis of unsymmetrical (1E,3E)-1,4-disubstituted 1,3-dienes based on palladium-catalyzed Hiyama cross-coupling reaction of 1-(triethoxysilyl)-substituted buta-1,3-dienes with aryl iodides is reported. Full article
(This article belongs to the Special Issue Organometallic Compounds 2015)
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1468 KiB  
Communication
The Histone Deacetylase Inhibitor JAHA Down-Regulates pERK and Global DNA Methylation in MDA-MB231 Breast Cancer Cells
by Mariangela Librizzi, Roberto Chiarelli, Liana Bosco, Supojjanee Sansook, Jose M. Gascon, John Spencer, Fabio Caradonna and Claudio Luparello
Materials 2015, 8(10), 7041-7047; https://doi.org/10.3390/ma8105358 - 16 Oct 2015
Cited by 19 | Viewed by 4658
Abstract
The histone deacetylase inhibitor N1-(ferrocenyl)-N8-hydroxyoctanediamide (JAHA) down-regulates extracellular-signal-regulated kinase (ERK) and its activated form in triple-negative MDA-MB231 breast cancer cells after 18 h and up to 30 h of treatment, and to a lesser extent AKT and phospho-AKT after [...] Read more.
The histone deacetylase inhibitor N1-(ferrocenyl)-N8-hydroxyoctanediamide (JAHA) down-regulates extracellular-signal-regulated kinase (ERK) and its activated form in triple-negative MDA-MB231 breast cancer cells after 18 h and up to 30 h of treatment, and to a lesser extent AKT and phospho-AKT after 30 h and up to 48 h of treatment. Also, DNA methyltransferase 1 (DNMT1), 3b and, to a lesser extent, 3a, downstream ERK targets, were down-regulated already at 18 h with an increase up to 48 h of exposure. Methylation-sensitive restriction arbitrarily-primed (MeSAP) polymerase chain reaction (PCR) analysis confirmed the ability of JAHA to induce genome-wide DNA hypomethylation at 48 h of exposure. Collective data suggest that JAHA, by down-regulating phospho-ERK, impairs DNMT1 and 3b expression and ultimately DNA methylation extent, which may be related to its cytotoxic effect on this cancer cytotype. Full article
(This article belongs to the Special Issue Organometallic Compounds 2015)
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