A5034282374- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Indoor and Outdoor Localization Technologies
- Boron Compounds in Chemistry
- Microwave and Dielectric Measurement Techniques
- HIV Research and Treatment
- Wireless Communication Networks Research
- Direction-of-Arrival Estimation Techniques
- Bluetooth and Wireless Communication Technologies
- Boron and Carbon Nanomaterials Research
- Advanced Chemical Physics Studies
- Radar Systems and Signal Processing
- Organometallic Complex Synthesis and Catalysis
- Radio Frequency Integrated Circuit Design
- Organoboron and organosilicon chemistry
- Speech and Audio Processing
- Advanced Wireless Communication Techniques
- Microwave Engineering and Waveguides
- HIV/AIDS drug development and treatment
- Radio Wave Propagation Studies
- Bat Biology and Ecology Studies
- Catalytic Cross-Coupling Reactions
- Metal-Catalyzed Oxygenation Mechanisms
- Advanced Power Amplifier Design
- Synthesis and biological activity
Friedrich-Alexander-Universität Erlangen-Nürnberg
2015-2023
Universität Hamburg
2023
Hamburg University of Technology
2023
Edinburgh Napier University
2015-2022
Heriot-Watt University
2006-2017
University of Edinburgh
2015
Universidade Nova de Lisboa
2012
Rede de Química e Tecnologia
2012
University of Bath
2010
University of York
2008
Many guanide-containing drugs are antihyperglycaemic but most exhibit toxicity, to the extent that only biguanide metformin has enjoyed sustained clinical use. Here, we have isolated unique mitochondrial redox control properties of likely account for this difference. In primary hepatocytes and H4IIE hepatoma cells found diguanides DG5-DG10 phenformin were up 1000-fold more potent than on cell signalling responses, gluconeogenic promoter expression hepatocyte glucose production. Each drug...
Reaction paths leading to palladium catalyst deactivation during cyanation of haloarenes (eq 1) have been identified and studied. Each key step the catalytic loop (Scheme can be disrupted by excess cyanide, including ArX oxidative addition, X/CN exchange, ArCN reductive elimination. The reaction is terminated via facile formation inactive [(CN)4Pd]2-, [(CN)3PdH]2-, [(CN)3PdAr]2-. Moisture particularly harmful catalysis because CN- hydrolysis HCN that highly reactive toward Pd(0). Depending...
A survey of computed mechanisms for C-F bond activation at the 4-position pentafluoropyridine by model zero-valent bis-phosphine complex, [Pt(PH3)(PH2Me)], reveals three quite distinct pathways leading to square-planar Pt(II) products. Direct oxidative addition leads cis-[Pt(F)(4-C5NF4)(PH3)(PH2Me)] via a conventional 3-center transition state. This process competes with two different phosphine-assisted in which involves fluorine transfer phosphorus center novel 4-center states. The more...
Computational exploration of carboranes formula CnBmq+ reveals that more than one hypercoordinated carbon atom can be enclosed by a peripheral ring comprising suitable number boron atoms. The C2B8, C3B93+, and C5B11+ species (the LUMO the latter is shown) are stabilized substantial Hückel π aromaticity. Furthermore, multicenter σ bonding helps bind inner units to perimeters, though they freely rotate relative another. Supporting information for this article available on WWW under...
Density functional theory calculations have been used to model the reaction of C6F6 with [IrMe(PEt3)3], which proceeds both C-F and P-C bond activation yield trans-[Ir(C6F5)(PEt3)2(PEt2F)], C2H4, CH4 (Blum, O.; Frolow, F.; Milstein, D. J. Chem. Soc., Commun. 1991, 258). Using a species, trans-[IrMe(PH3)2(PH2Et)], low-energy mechanism involving nucleophilic attack electron-rich Ir metal center at displacement fluoride has identified. A novel feature this process is capture by phosphine ligand...
A combination of experimental studies and density functional theory calculations is used to study C-N bond activation in a series ruthenium N-alkyl-substituted heterocyclic carbene (NHC) complexes. These show that prior C-H the NHC ligand renders system susceptible irreversible activation. In presence source HCl, activated Ru(I(i)Pr(2)Me(2))'(PPh(3))(2)(CO)H (1, I(i)Pr(2)Me(2) = 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene) reacts give Ru(I(i)PrHMe(2))(PPh(3))(2)(CO)HCl (2, I(i)PrHMe(2)...
Metformin (Metf), the most commonly used type 2 diabetes drug, is known to affect cellular housekeeping of copper. Recently, we discovered that structurally closely related propanediimidamide (PDI) shows a behavior different from Metf. Here investigate binding these compounds copper, compare their strength. Furthermore, take closer look at electronic properties and copper complexes such as molecular orbital interactions electrostatic potential surfaces. Our results clearly show energies...
Abstract The equilibrium geometries and bond energies of the complexes H 3 BL 2 B + L (L=CO; EC 5 : E=N, P, As, Sb, Bi) have been calculated at BP86/TZ2P level theory. nature donor–acceptor bonds was investigated by energy decomposition analysis (EDA). strengths order CO>N>P>As>Sb>Bi. values are between D e =37.1 kcal mol −1 for BCO =6.9 BBiC . dissociation cations CO EC larger than BL, particularly heterobenzene ligands. =51.9 =122.1 NC trend BDE is...
A DFT study of model cyclohexyloxy radicals (8a−c, 9) show that (a) the presence an adjacent oxygen atom, and (b) α-substituents on cyclohexyl ring, particularly methoxy, accelerate rate β-scission ring-opening reactions. Consistent with theoretical results, thermolysis methoxy-substituted dispiro-1,2,4-trioxane 10 afforded structurally novel, 14-membered macrocyclic keto lactone 11 as major isolable product.
Non-steroidal anti-inflammatory drugs exert their pharmacological activity through inhibition of cyclooxygenase 1 and 2 (COX-1 COX-2).
Collapsing buildings are, while not exactly common, still an issue. The causes are diverse and often region dependent. most common cause of the large-scale structural failure is earthquakes. In countries less affected by earthquakes, explosions caused gas leaks leading cause.
The docosahedral metallacarboranes 4,4-(PMe2Ph)2-4,1,6-closo-PtC2B10H12, 4,4-(PMe2Ph)2-4,1,10-closo-PtC2B10H12, and [N(PPh3)2][4,4-cod-4,1,10-closo-RhC2B10H12] were prepared by reduction/metalation of either 1,2-closo-C2B10H12 or 1,12-closo-C2B10H12. All three species fully characterized, with a particular point interest the latter being conformation {ML2} fragment relative to carborane ligand face. Comparison conformations previously established for six other ML2C2B10 varying heteroatom...
Unanticipated complexity: The first example of a 4,1,11-MC2B10 metallacarborane (see picture; Ru magenta, B pink, C gray, H white) is reported. Reduction and metalation 1,12-Ph2-1,12-closo-C2B10H10 at both room temperature low yields no fewer than five isomeric supraicosahedral products. Calculations identify two initial nido-[C2B10H12]2− species, each with one atom that not in the open face. Supporting information for this article available on WWW under...
This paper describes for the first time intimate molecular details of association between a platinated oligonucleotide and zinc finger peptide. Site-specific platination guanine in single-stranded hexanucleotide gave {[Pt(dien)d(5'-TACGCC-3')], Pt(dien)(6-mer)} (II) characterized by mass spectrometry (1)H nuclear magnetic resonance (NMR) spectroscopy. The work extends study platinum-nucleobase complex-zinc interactions using small molecules such as [Pt(dien)(9-EtGua)](2+) (I). structure...
Nature has provided the binuclear zinc based active site of bovine lens leucine aminopeptidase (blLAP) with two water channels: one for substrate docking and a much smaller (function unknown) above Zn1. In addition, Zn1 possesses an unusual pentacoordinate geometry loosely bound carbonyl ligand (Ala333). Extensive DFT calculations on model provide first mechanistic implications these structural features. The weakly is capable functioning as "traffic cop" to direct molecules coming from small...
In this work a system is proposed that utilizes an unmanned aerial vehicle (UAV) to search and rescue trapped victims using their mobile phones. The systems consists of two parts, ground station (GS) airborne (AS). GS provides downlink the UAV, GSM base along with antenna equipment network jamming device. By smart approach block synchronization sequences all stations in range, phones be located are switching emergency fallback mode. mode connect strongest thus one provided by GS. initiating...
Suitability of single-reference density functional theory (DFT) methods for the calculation redox potentials copper-containing macrocycle complexes was confirmed by use T1 diagnostics along with a verification negligible spin contamination or wave function instability. When examining effect improvement in cc-pVnZ basis set series on calculated potentials, results readily converged at cc-pVTZ level. The all-electron Def2-TZVPP is shown to be suitable choice when utilizing geometry....
The first coordination sphere geometry of a bimetallic enzyme, bovine lens leucine aminopeptidase, is reproduced in model (shown the picture) small enough for mechanistic studies active site to be carried out by using density functional theory. minimalistic compared with X-ray crystal structure native enzyme.
Rechnungen belegen, dass ein Ring aus Boratomen in Carboranen CnBmq+ mehr als hyperkoordiniertes Kohlenstoffatom einschließen kann: C2B8, C3B93+ und C5B11+ (dessen LUMO abgebildet ist) sind durch Hückel-π-Aromatizität erheblich stabilisiert. Mehrzentren-σ-Bindungen stärken den Zusammenhalt zwischen innerer Kohlenstoffeinheit Borring, ohne deren freie Rotation gegeneinander zu unterbinden. Supporting information for this article is available on the WWW under...
Interconnection of waveguides or horn antennas to a printed circuit board (PCB) is still challenge in modern system design. Currently, this requires high effort since the waveguide cannot easily be connected microstrip line coplanar grounded waveguide. This paper introduces new transition from for 24 GHz Industrial, Scientific and Medical (ISM) band, which facilitates mounting WR-42 antenna on single substrate PCB with low manufacturing costs hardware effort. The design, based integrated...
Radar sensors play a key role in today's industrial automation. Besides high accuracy, modern radar have to feature precision as well challenging update rates. Six-Port wave correlators enable phase resolution at frequencies and therefore accuracy applications. A low-cost Schottky diode detector applied substrate integrated waveguide (SIW) is presented measured. Furthermore, displacement measurement using the SIW structure performed.
A new transceiver setup for joint communication and sensing (JCAS) application in V-band with a 3 dB bandwidth of 2.57 GHz is presented this work. With standards like 6G rising amount wireless transmitted data, setups higher carrier frequencies larger need to be developed. The has differential IQ input ports frequency ranging from 57 64 GHz. For the proof radar applications, reflected signal was detected, usability confirmed. This can used JCAS applications meter range high resolution data rates.