Managing Clinical Use of High-Alert Drugs: A Supervised Learning Approach to Pharmacokinetic Data Analysis

Drug-related problems, particularly those that result from sub- or overtherapeutic doses of high-alert medications, have become a growing concern in clinical medicine. In this paper, we use a model-tree-based regression technique (namely, M5) and support vector machine (SVM) for regression to develop learning-based systems for predicting the adequacy of a vancomycin regimen. We empirically evaluate each system's accuracy in predicting patients' peak and trough concentrations in different clinical scenarios characterized by renal functions and regimen types. Our data consist of 1099 clinical cases that were collected from a major tertiary medical center in southern Taiwan. We also examine the use of bagging for enhancing the prediction power of the respective systems and include in our evaluation a salient one-compartment model for performance benchmark purposes. Overall, our evaluation results suggest that both M5 and SVM are significantly more accurate than the benchmark one-compartment model in predicting patients' peak and trough concentrations across all investigated clinical scenarios. M5 appears to benefit considerably from bagging, which has a positive but seemingly smaller effect on SVM. Taken together, our findings indicate supervised learning techniques that are capable of effectively supporting clinicians' use of vancomycin or similar high-alert drugs in their patient care and management.     

Thin film deposition on a corrugated surface: A molecular dynamics approach

This paper presents the use of molecular dynamics (MD) simulation in the investigation of the surface topography of early-stage film growth on a GMR (giant-magnetoresistance) corrugated structure. The size of the simulated system is limited in order to reduce the computational workload. The numerical model adopts the Morse potential and the Verlet-leapfrog time evolution scheme [R.W. Hockney, 1970; D. Potter, 1972 (Chapter 5). [1]] to describe the atomic interactions which take place between the atoms. The impact energy transferred from the incident atoms to the substrate is modeled by rescaling the atoms within the upper substrate layers. It is found that the important properties of the film-substrate system may be obtained after the deposition of just several atomic layers. The influence of the impact velocity upon the coating parameters is investigated by varying the incident energy of the deposited atoms. The current results indicate that the surface coverage is poor, when atoms are deposited at low incident energies upon a low temperature substrate. At a higher incident energy, the deposited film tends to exhibit a quasi-layer-by-layer growth mechanism, which results in an improved surface coverage. Finally, it is demonstrated that a distinct quasi-fluid behavior is evident on the substrate when the atoms are deposited at high incident energies.     

Linearly many faults in Cayley graphs generated by transposition trees

We prove that when linearly many vertices are deleted in a Cayley graph generated by a transposition tree, the resulting graph has a large connected component containing almost all remaining vertices.     

Lactic acid production from dining‐hall food waste by Lactobacillus plantarum using response surface methodology

BACKGROUND: Food waste generally has a high starch content and is rich in nutritional compounds, including lipids and proteins. It therefore represents a potential renewable resource. In this study, dining‐hall food waste was used as a substrate for lactic acid production, and response surface methodology was employed to optimise the fermentation conditions. RESULTS: Lactic acid biosynthesis was significantly affected by the interaction of protease and temperature. Protease, temperature and CaCO₃ had significant linear effects on lactic acid production, while α‐amylase and yeast extract had insignificant effects. The optimal conditions were found to be an α‐amylase activity of 13.86 U g^?1 dried food waste, a protease activity of 2.12 U g^?1 dried food waste, a temperature of 29.31 °C and a CaCO₃ concentration of 62.67 g L^?1, which resulted in a maximum lactic acid concentration of 98.51 g L^?1 (88.75% yield). An increase in inoculum size would be appropriate for accelerating the depletion of initial soluble carbohydrate to enhance the efficiency of α‐amylase in dining‐hall food waste fermentation. CONCLUSION: A suitable regression model for lactic acid production was developed based on the experimental results. Dining‐hall food waste was found to be a good substrate for lactic acid fermentation with high product yield and without nutrient supplementation. Copyright © 2008 Society of Chemical Industry     

Restraining the associations of anthracene fluorophore by chemically linking to poly(methyl methacrylate)

Associations (dimer or aggregate) of anthracene (An) fluorophores tend to interrupt the monomer emission and reduce the quantum yield (Φ_PL); therefore, poly(methyl methacrylate) (PMMA) chain was used in this study to chemically link to anthracene and to block the mutual associations among the anthracene fluorophores. With this aim, the target polymers were prepared by anionic polymerizations with 9,10‐dibromoanthracene/s‐butyllithium as initiating system to proceed polymerizations of methyl methacrylate (MMA) directly or in the presence of 1,1‐diphenylethylene (DPE). Use of DPE before addition of MMA produces stable initiating anionic species and avoids potential side reactions during polymerization; however, it also introduces four β‐phenylene rings around the central anthracene ring, which interfere with the corresponding emission pattern and reduce the Φ_PL (32%) value due to potential interactions between phenylene rings and anthracene. On the contrast, polymerization without participation of DPE results in polymer with central anthracene ring directly connected to two PMMA chains, which gives clean vibronic emission pattern with limited association emissions and enhanced Φ_PL (52%) value. Physical blending of anthracene by PMMA is less efficient to restrain the associations and results in a film of lower Φ_PL (20%). © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2008     

Synthesis and properties of novel amphiphilic sulfated ionomers by the ring‐opening reaction of an epoxidized styrene–butadiene–styrene triblock copolymer

A method for the synthesis of novel sulfated ionomer of styrene–butadiene–styrene triblock copolymer (SBS) was developed. SBS was first epoxidized by performic acid in the presence of a phase‐transfer catalyst; this was followed by a ring‐opening reaction with an aqueous solution of alkali salt of bisulfate. The optimum conditions for the ring‐opening reaction of the epoxidized SBS with an aqueous solution of KHSO₄ were studied. During the ring‐opening reaction, both phase‐transfer catalyst and ring‐opening catalyst were necessary to enhance the conversion of epoxy groups to ionic groups. The products were characterized with Fourier transform infrared spectrophotometry and transmission electron microscopy (TEM). After the potassium ions of the ionomer were substituted with lead ions, the lead sulfated ionomer exhibited dark spots under TEM. Some properties of the sulfated ionomer were studied. With increasing ionic groups or ionic potential of the cations, the water absorbency and emulsifying volume of the ionomer and the intrinsic viscosity of the ionomer solution increased, whereas the oil absorbency decreased. The sulfated ionomer possessed excellent emulsifying properties compared with the sulfonated SBS ionomer. The sodium sulfated ionomers in the presence of 10% zinc stearate showed better mechanical properties than the original SBS. When the ionomer was blended with crystalline polypropylene, a synergistic effect occurred with respect to the tensile strength. The ionomer behaved as a compatibilizer for blending equal amounts of SBS and oil‐resistant chlorohydrin rubber. In the presence of 3% ionomer, the blend exhibited much better mechanical properties and solvent resistance than the blend without the ionomer. SEM photographs indicated improved compatibility between the two components of the blend in the presence of the ionomer. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2008     

Shear-induced crystallization of poly(phenylene sulfide)

The crystalline morphology of poly(phenylene sulfide) (PPS) isothermally crystallized from the melt under shear has been observed by polarized optical microscope (POM) equipped with a CSS450 hot-stage. The shish–kebab-like fibrillar crystal structure is formed at a higher shear rate or for a longer shear time, which is ascribed to the tight aggregation of numerous oriented nuclei in the direction of shear. The crystallization induction time of PPS decreases with the shear time, indicating that the shear accelerates the formation of stable crystal nuclei. Under shear, the increase of spherulite growth rate results from highly oriented chains. The melting behavior of shear-induced crystallized PPS performed by differential scanning calorimetry (DSC) shows multiple melting peaks. The lower melting peak corresponds to melting of imperfect crystal, and the degree of crystal perfection decreases as the shear rate increases. The higher melting peak is related to the orientation of molecular chains. These oriented molecular chains form the orientation nuclei which have higher thermal stability than the kebab-like lamellae that are developed later. A new model based on the above observation has been proposed to explain the mechanism of shish–kebab-like fibrillar crystal formation under shear flow.     

Synthesis and characterization of novel copolymer containing pyridylazo-2-naphthoxyl group via reversible addition–fragmentation chain transfer (RAFT) polymerization

A novel monomer containing pyridylazo-2-naphthoxyl group, 1-(1-(4-vinylbenzyloxy)naphthalen-2-yl)-2-(pyridin-2-yl)diazene (VBNPA), was successfully synthesized and copolymerized with styrene (St) in N,N-dimethyl formamide (DMF) via reversible addition–fragmentation chain transfer (RAFT) polymerization using 2-cyanoprop-2-yl-1-dithionaphthalate (CPDN) as RAFT agent. The polymerization behavior exhibited “living”/controlled characters. The obtained copolymer, poly(St-co-VBNPA), with pre-determinable molecular weight and narrow molecular weight distribution can be used as a carrier in metal ion detection and analysis via pre-concentration technique. The copolymer–metal ion (copper (Cu) and europium (Eu)) complexes were prepared and characterized.     

超超临界机组测温热电偶选型方案的研究

通过对超超临界参数对热电偶保护套管材质影响的分析和研究,从既要确保机组安全经济运行,又要具有先进自动化水平的角度,报告了1000MW机组超超临界参数介质测温热电偶套管材质选择、插入深度、安装方式及工厂加工方案,提出了现阶段1000MW机组热电偶保护套管材质选型方案的建议。