Design problem solved by optimal control theory

In this paper we present an application to airfoil design of an optimum design method based on optimal control theory. The method used here transforms the design problem by way of a change of variable into an optimal control problem for a distributed system with Neumann boundary control. This results in a set of variational inequalities which is solved by adding a penalty term to the differential equation. This is in turn solved by a finite element method.     

Determination of Furosemide by Simple Diazotization Method in Pharmaceutical Preparations

A simple and rapid spectrophotometric method has been investigated for the determination of furosemide. The method is based upon simple diazotization reaction. The absorbance was measured at 480 nm. The method is optimized for acidity, amount of reagents required and heating time. The range of linearity was 0.4–10 μg mL^?1 of furosemide with molar absorptivity of 1.0 × 10⁴ l mol^?1 cm^?1. Standard deviation, coefficient of variance, limit of detection and limit of quantification were calculated using authentic standard of furosemide and were found to ± 0.0013,12.7%, 0.16 ppm and 0.52 ppm, respectively. The method was applied to various pharmaceutical preparations containing furosemide. The results of the investigated method for furosemide were compared with available official literature method. The results obtained by the proposed method agree well with the standard established method.     

Consensus QSAR models estimating acute toxicity to aquatic organisms from different trophic levels: algae,Daphnia and fish

ABSTRACT

We report new consensus models estimating acute toxicity for algae, Daphnia and fish endpoints. We assembled a large collection of 3680 public unique compounds annotated by, at least, one experimental value for the given endpoint. Support Vector Machine models were internally and externally validated following the OECD principles. Reasonable predictive performances were achieved (RMSE_ext = 0.56–0.78) which are in line with those of state-of-the-art models. The known structural alerts are compared with analysis of the atomic contributions to these models obtained using the ISIDA/ColorAtom utility. A benchmarking against existing tools has been carried out on a set of compounds considered more representative and relevant for the chemical space of the current chemical industry. Our model scored one of the best accuracy and data coverage.

Nevertheless, industrial data performances were noticeably lower than those on public data, indicating that existing models fail to meet the industrial needs. Thus, final models were updated with the inclusion of new industrial compounds, extending the applicability domain and relevance for application in an industrial context. Generated models and collected public data are made freely available.     

Merging image databases as an example for information integration

Central European Journal of Operations Research - By integrating information we mean pulling information pieces from various sources together with as little loss of information and as little...     

Asymmetric radical polymerization and copolymerization of N‐(1‐phenyldibenzosuberyl)methacrylamide and its derivative leading to optically active helical polymers

N‐(1‐Phenyldibenzosuberyl)methacrylamide (PDBSMAM) and its derivative N‐[(4‐butylphenyl)dibenzosuberyl]methacrylamide (BuPDBSMAM) were synthesized and polymerized in the presence of (+)‐ and (?)‐menthols at different temperatures. The tacticity of the polymers was estimated to be nearly 100% isotactic from the ¹H NMR spectra of polymethacrylamides derived in D₂SO₄. Poly(PDBSMAM) was not soluble in the common organic solvents, and its circular dichroism spectrum in the solid state was similar to that of the optically active poly(1‐phenyldibenzosuberyl methacrylate) (poly(PDBSMA)) with a prevailing one‐handed helicity, indicating that the poly(PDBSMAM) also has a similar helicity. Poly(BuPDBSMAM) was optically active and soluble in THF and chloroform. Its optical activity was much higher than that of the poly[N‐(triphenylmethayl)methacrylamide], suggesting that one‐handed helicity may be more efficiently induced on the poly(BuPDBSMAM). The copolymerization of BuPDBSMAM with a small amount of optically active N‐[(R)‐(+)‐1‐(1‐naphthyl)ethyl]methacrylamide, particularly in the presence of (?)‐menthol, produced a polymer with a high optical activity. The prevailing helicity may also be efficiently induced. The chiroptical properties of the obtained polymers were studied in detail. The chiral recognition by the polymers was also evaluated. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 1304–1315, 2007     

An explorative study on diarylquinoline-based inhibitor targeting Enterococcus faecium MurF

Structural Chemistry - Enterococcus faecium MurF (EfMurF) enzyme catalyzes the addition of d-alanyl-d-alanine to form murein UDP-N-acetylmuramoyl-pentapeptide. This is the last cytoplasmic step of...     

Current progresses and trends in carbon nanomaterials-based electrochemical and electrochemiluminescence biosensors

The enormous potential of biosensors in medical diagnostics has motivated scientists to develop newer innovative tools and advance biosensing technologies. The use of cell, organelles, nucleotides, aptamers, antibodies, affibodies, proteins, peptides, molecules, and printed polymers, merged with nanotechnology, offers excellent tools to prepare highly sensitive and advanced biosensors. Therefore, the current decade has witnessed a rapid surge in the fabrication of different nanomaterial-based biosensors. Among them, carbon nanomaterials (CNMs) have emerged highly attractive in the fabrication of both electrochemical and electrochemiluminescence (ECL) biosensors. On one hand, CNMs bear prominent electrical conductivity, large surface area to immobilize adequate amount of biomolecules, an enhanced loading capacity, improved biocompatibility, and active site for electrochemical reaction. Additionally, CNMs could be chemically modified for the covalent coupling with the biomolecules. On the other hand, both electrochemical and ECL biosensors allow for cost-effective, rapid, and real-time detection with excellent sensitivity and selectivity, with the capability of integrating different biomolecules and CNMs on the same chip. However, currently there is not a single review, which includes CNM-based electrochemical and ECL biosensors' current progress and trends. Therefore, this review intends to survey the current progress and future trends in CNM-based electrochemical and ECL biosensors.