Transition Metal Substituted Barium Hexaferrite-Modified Electrode: Application as Electrochemical Sensor of Acetaminophen

This study used substituted barium hexaferrites, which were previously prepared and reported by the authors, to detect acetaminophen by the modification of a conventional glassy carbon electrode (GCE), which led to promising results. The synthesis of this electrode-modifying material was conducted using a citrate sol gel process. A test synthesis using glycerin and propylene glycol revealed that glycerin produced a better result, while less positive anodic potential values were associated with the electrooxidation of N-acetyl-p-aminophenol (NAP). Excellent electroactivity was exhibited by the cobalt-substituted barium-hexaferrite-nanomaterial-modified electrode. A good linear relationship between the concentration and the current response of acetaminophen (paracetamol) was obtained with a detection limit of (0.255 ± 0.005) µM for the Ba_1.0Co_1.22Fe_11.41O_18.11 GCE, (0.577 ± 0.007) µM for the Ba_1.14Cu_0.82Fe_11.65O_18.02 GCE, and (0.595 ± 0.008) µM for the bare GCE. The levels of NAP in a real sample of urine were quantitatively analyzed using the proposed method, with recovery ranges from 96.6% to 101.0% and 93.9% to 98.4% for the modified electrode with Cobalt-substituted barium hexaferrites (CoF_M) and Copper-substituted barium hexaferrites (CuF_M), respectively. These results confirm the high electrochemical activity of Ba_1.0Co_1.22Fe_11.41O_18.11 nanoparticles and thus their potential for use in the development of sensing devices for substances of pharmaceutical interest, such as acetaminophen (NAP).     

Fourier Inversion Formulas in Option Pricing and Insurance

Several authors have used Fourier inversion to compute prices of puts and calls, some using Parseval’s theorem. The expected value of max (S – K, 0) also arises in excess-of-loss or stop-loss insurance, and we show that Fourier methods may be used to compute them. In this paper, we take the idea of using Parseval’s theorem further: (1) formulas requiring weaker assumptions; (2) relationship with classical inversion theorems for probability distributions; (3) formulas for payoffs which occur in insurance. Numerical examples are provided.      

Loop calculations for the non-commutative U ⋆(1) gauge field model with oscillator term

The European Physical Journal C - Motivated by the success of the non-commutative scalar Grosse–Wulkenhaar model, a non-commutative U ⋆(1) gauge field theory including an...     

Effect of 1-Aminoanthracene (1-AMA) Binding on the Structure of Three Lipocalin Proteins,the Dimeric β Lactoglobulin,the Dimeric Odorant Binding Protein and the Monomeric α<Subscript>1</Subscript>-Acid Glycoprotein. Fluorescence Spectra and Lifetimes Studies

We studied effect of 1-aminoanthracene (1-AMA) binding on the structures of dimeric β lactoglobulin, dimeric odorant binding protein (OBP) and monomeric α₁-acid glycoprotein (lipocalin family proteins) by monitoring fluorescence excitation spectra and measuring fluorescence lifetimes of the tryptophan residues of the proteins. Results show that binding of 1-AMA to β lactoglobulin and OBP modifies their conformation even at low probe concentration compared to that of the proteins. Structural modification induces a red shift of the fluorescence excitation spectra maximum of tryptophan residues accompanied with an increase of the third fluorescence lifetime and a decrease of its pre-exponential factor. These effects were not observed for α₁-acid glycoprotein, probably as the result of carbohydrate presence. These data raise doubts concerning use of 1-AMA as a probe to study biological properties of β lactoglobulin and OBP.     

Enabling drug discovery project decisions with integrated computational chemistry and informatics

Computational chemistry/informatics scientists and software engineers in Genentech Small Molecule Drug Discovery collaborate with experimental scientists in a therapeutic project-centric environment. Our mission is to enable and improve pre-clinical drug discovery design and decisions. Our goal is to deliver timely data, analysis, and modeling to our therapeutic project teams using best-in-class software tools. We describe our strategy, the organization of our group, and our approaches to reach this goal. We conclude with a summary of the interdisciplinary skills required for computational scientists and recommendations for their training.     

Implicit QR algorithms for palindromic and even eigenvalue problems

In the spirit of the Hamiltonian QR algorithm and other bidirectional chasing algorithms, a structure-preserving variant of the implicit QR algorithm for palindromic eigenvalue problems is proposed. This new palindromic QR algorithm is strongly backward stable and requires less operations than the standard QZ algorithm, but is restricted to matrix classes where a preliminary reduction to structured Hessenberg form can be performed. By an extension of the implicit Q theorem, the palindromic QR algorithm is shown to be equivalent to a previously developed explicit version. Also, the classical convergence theory for the QR algorithm can be extended to prove local quadratic convergence. We briefly demonstrate how even eigenvalue problems can be addressed by similar techniques. D. S. Watkins partly supported by Deutsche Forschungsgemeinschaft through Matheon, the DFG Research Center Mathematics for key technologies in Berlin.     

Complete Quenching of the Pd3(dppm)3(CO)2+ Cluster Emission Via Electrostatic Host–Guest Assemblies with Carboxylate-Containing Tetraphenylporphyrins of Ni(II) and Fe(III)

The title cluster is luminescent at 77?K and exhibits an unsaturated site for binding anions when the counter ion is PF₆ ^?. A series of five non-luminescent metalloporphyrins exhibiting carboxylate anchoring groups were synthesized and characterized. These are the sodium salts of the 5-carboxyphenyl-tri-10,15,20-tolyl-, trans-di-5,10-carboxyphenyl-di-15,20-tolyl-, and tetra-5,10,15,20-carboxyphenyl(metallo)porphyrin (metallo?=?chloroiron(III), nickel(II)) anions. Evidence for supramolecular assemblies between the carboxylates and the cluster is provided by ³¹P NMR and UV?Cvis spectroscopy. The binding constant, K_1n, extracted from the UV?Cvis data via Benesi-Hildebrand, Scott and Scatchard plots are approximately 21,000?±?5,000?M^?1 for the nickel(II) species, in agreement with the previously reported zinc(II) ones (K₁₁?=?20,000?±?2,000?M^?1), but those for the chloroiron(III) are measured to be lower (12,500?±?3,500?M^?1). This association is accompanied by a complete quenching of the luminescence of the cluster which can only be due to an efficient energy transfer to the d?Cd states of the chloroiron(III) and nickel(II) species but an electron transfer from the nickel(II)-containing chromophore to the cluster is also possible. This work demonstrates the profound effect that supramolecular interactions may have on the photophysical properties despite the long donor?Cacceptor separation.