@article {1467,
	title = {Chemical reaction of nitric oxides with the 5-1DB defect of the single-walled carbon nanotube},
	journal = {J. Phys. Chem. B},
	volume = {110},
	number = {5},
	year = {2006},
	note = {ISI Document Delivery No.: 011QXTimes Cited: 15Cited Reference Count: 39},
	month = {Feb},
	pages = {1999-2005},
	type = {Article},
	abstract = {<p>In this work, we applied a two-layered ONIOM (B3LYP/6-31G(d):UFF) method to study the reaction of nitric oxides with a 5-1DB defect on the sidewall of the single-walled carbon nanotube (SWCNT). We have chosen a suitable ONIOM model for the calculation of the SWCNT based on the analyses of the frontier molecular orbitals,, local density of states, and natural bond orbitals. Our calculations clearly indicate that the 5-1DB defect is the chemically active center of the SWCNT. In the reaction of nitric oxides with the defected SWCNT, the 5-1DB defect site can capture a nitrogen atom from nitric oxides, yielding the N-substitutionally doped SWCNT. We have explored the reaction pathway in detail. Our work verifies the chemical reactivity of the 5-1DB defects of the SWCNTs, indicates that the 5-1DB defect is a possible site for the functionalization of the SWCNTs, and demonstrates a possible way to fabricate position controllable substitutionally doped SWCNTs with a low doping concentration under mild conditions via some simple chemical reactions.</p>},
	keywords = {AB-INITIO, BORON, chemisorption, density, DOPED CARBON, MOLECULAR-MECHANICS, NITROGEN, ONIOM, OPTIMIZATION, sensors},
	isbn = {1520-6106},
	url = {<Go to ISI>://000235284300009},
	author = {Liu, L. V. and Tian, W. Q. and Y. A. Wang*}
}
@article {1526,
	title = {Viable plastics recycling from end-of-life electronics},
	journal = {Ieee Transactions on Electronics Packaging Manufacturing},
	volume = {29},
	number = {1},
	year = {2006},
	note = {ISI Document Delivery No.: 010ALTimes Cited: 3Cited Reference Count: 62},
	month = {Jan},
	pages = {25-31},
	type = {Article},
	abstract = {Millions of end-of-life (EOL) electronic products represent more than one million tons of engineering thermoplastics. The economically and environmentally sound recovery of engineering thermoplastics from EOL electronics is a challenge to the sustainability of electronics manufacturing. In this paper, we review the technologies to separate and identify pure post-consumer plastics from EOL electronics, which are followed by the comparison of electronic plastics recycling processes and the network models for plastics recycling processes. We also review successful plastics recycling practices for electronics. In addition, further research directions for recycling plastics from EOL electronics are discussed.},
	keywords = {DECISION-MAKING, DESIGN, disassembly, end-of-life (EOL) electronics, HIGH-IMPACT POLYSTYRENE, IDENTIFICATION, METHODOLOGY, MODEL, OPTIMIZATION, plastics, PRODUCT, RECOVERY, recycling, SELECTIVE FLOTATION SEPARATION, SEPARATION},
	isbn = {1521-334X},
	url = {<Go to ISI>://000235155100004},
	author = {Qu, X. L. and Williams, J. A. S. and Grant, E. R.}
}
@article {341,
	title = {Accurately describing weak analyte-additive interactions by capillary electrophoresis},
	journal = {Electrophoresis},
	volume = {23},
	number = {6},
	year = {2002},
	note = {ISI Document Delivery No.: 536KNTimes Cited: 12Cited Reference Count: 33},
	month = {Mar},
	pages = {880-888},
	type = {Article},
	abstract = {When modeling analyte-additive interactions in capillary electrophoresis (CE), it is necessary to correct for all changes in the apparent electrophoretic mobility of an analyte that are not due to specific binding. Current models based on dynamic complexation have corrected for bulk viscosity changes in the background electrolyte (BGE) when additives are used, while assuming negligible changes in the dielectric constant and other physicochemical properties of the solution. In this report, a study of weak interactions between deoxyribonucleotides and hydroxypropyl-beta-cyclodextrin (HP-beta-CD) revealed significant nonideality in binding isotherms. Changes in the dielectric properties of the solution due to the addition of high concentrations of HP-beta-CD to the BGE was observed to alter the electrophoretic mobility of analytes. A relative dielectric correction factor was required to normalize analyte mobilities to a reference state of zero additive concentration. The use of both a relative dielectric factor and a viscosity correction factor was found to increase the accuracy of the model, reflected by a higher degree of correlation between predicted and measured analyte mobilities. This type of correction is particularly relevant when studying weak analyte binding interactions or when using high concentrations of additive in the BGE. This work is vital for accurate determination of weak binding constants and mobility values, as well as providing a deeper understanding of the fundamental parameters influencing a separation in CE.},
	keywords = {analyte-additive interactions, BETA-CYCLODEXTRIN, binding isotherms, capillary electrophoresis, CHIRAL SEPARATION, cyclodextrin, deoxyribonucleotides, DYNAMIC COMPLEXATION, ELECTROKINETIC CHROMATOGRAPHY, ELECTROPHORESIS, ENANTIOMERS, MIGRATION BEHAVIOR, MODEL, OPTIMIZATION, QUANTITATIVE DESCRIPTION, viscosity-dielectric corrections factors, weak, ZONE},
	isbn = {0173-0835},
	url = {<Go to ISI>://000174699400008},
	author = {Britz-McKibbin, P. and Chen, D. D. Y.}
}
@article {4207,
	title = {Dynamic complexation of solutes in capillary electrophoresis},
	journal = {Electrophoresis},
	volume = {19},
	number = {3},
	year = {1998},
	note = {ISI Document Delivery No.: ZD713Times Cited: 12Cited Reference Count: 28},
	month = {Mar},
	pages = {383-387},
	type = {Article},
	abstract = {The analyte migration behavior in any chemical separation system can be described using a single equation that unifies all areas of separation science. This equation can be used in capillary electrophoresis (CE) to design separation systems, and to study interactions between analytes and additives. By using individual capacity factors for each analyte species present in the system, and with the knowledge of the characteristics of each interaction, one can predict the analyte migration behavior in complicated CE systems, including systems with multiple 1:1 interactions and/or higher order interactions.},
	keywords = {AFFINITY, BETA-CYCLODEXTRIN, BINDING, capacity factor, CHIRAL SEPARATIONS, dynamic complexation capillary electrophoresis, ENANTIOMERS, higher order interactions, MICELLAR ELECTROKINETIC CHROMATOGRAPHY, multiple equilibria, OPTIMIZATION, RESOLUTION, SELECTIVITY, separation theory, TIOCONAZOLE, ZONE ELECTROPHORESIS},
	isbn = {0173-0835},
	url = {<Go to ISI>://000072716000003},
	author = {Bowser, M. T. and Chen, D. D. Y.}
}
@article {3911,
	title = {Prediction of the migration behavior of analytes in capillary electrophoresis based on three fundamental parameters},
	journal = {Journal of Chromatography A},
	volume = {781},
	number = {1-2},
	year = {1997},
	note = {ISI Document Delivery No.: YC198Times Cited: 11Cited Reference Count: 309th International Symposium on High Performance Capillary Electrophoresis and Related Microscale TechniquesJAN 26-30, 1997ORLANDO, FL},
	month = {Sep},
	pages = {23-34},
	type = {Proceedings Paper},
	abstract = {The prediction of analyte migration behavior in capillary electrophoresis (CE) is essential for rapid method development. The dynamic complexation model, based on 1:1 interactions, was used to accurately predict the apparent electrophoretic mobilities and the migration times of a group of deoxyribonucleotides (dNPs) at various concentrations of beta-cyclodextrin (beta-CD). The electrophoretic mobility of the analyte, the electrophoretic mobility of the analyte-additive complex and the equilibrium constant are the three fundamental parameters required to determine the mobility of an analyte. The apparent migration time of the analyte can be predicted once the electroosmotic mobility and relative viscosity of the solution are known. Optimum separation conditions can be determined based on these parameters. Excellent agreement between observed analyte migration behavior and predicted values was demonstrated, with relative errors being often less than 1\%. The theory was tested repeatedly under various conditions in order to assess its predictive capabilities and limitations. Analysis by molecular modelling, in conjunction with calculated electrophoretic parameters and equilibrium constants, provided deeper insight into the probable mechanisms of the separation process at the molecular level. (C) 1997 Elsevier Science B.V.},
	keywords = {AFFINITY, BETA-CYCLODEXTRIN, BINDING, CHIRAL SEPARATION, CONSTANTS, deoxyribonucleotides, ELECTROKINETIC CHROMATOGRAPHY, ENANTIOMERS, migration behaviour, migration time prediction, MODEL, OPTIMIZATION, SELECTORS, TIOCONAZOLE},
	isbn = {0021-9673},
	url = {<Go to ISI>://A1997YC19800005},
	author = {BritzMcKibbin, P. and Chen, D. D. Y.}
}
@article {4100,
	title = {Quantitative description of analyte migration behavior based on dynamic complexation in capillary electrophoresis with one or more additives},
	journal = {Electrophoresis},
	volume = {18},
	number = {5},
	year = {1997},
	note = {ISI Document Delivery No.: XC565Times Cited: 48Cited Reference Count: 28},
	month = {May},
	pages = {706-716},
	type = {Article},
	abstract = {A comprehensive theory is proposed to describe the migration behavior of analytes in capillary electrophoresis (CE) when one or more additives are present in the buffer solution. This theory amalgamates and extends the previous work done by others. The capacity factor (k{\textquoteright}) in this theory is defined as the product of the equilibrium constant and the additive concentration, thus, k{\textquoteright} changes linearly with additive concentration, The net electrophoretic mobility of an analyte is a function of k{\textquoteright}, therefore, it can be changed by varying the additive concentration. Three parameters are needed to predict the mobility of an analyte in a one-additive CE system: the mobility of the free analyte, the mobility of the complex, and the equilibrium constant for the analyte-additive interaction (which determines the fraction of the free analyte at different additive concentrations). When additives are used, the change in viscosity obscures this relationship, therefore, a viscosity correction factor is required to convert all mobilities to an ideal state where the viscosity remains constant. The migration behavior of an analyte in a solution with multiple additives can be predicted and controlled, once the equilibrium constants of the interactions between the analyte and each of the additives are obtained separately. beta-Cyclodextrin and hydroxypropyl-beta-cyclodextrin are used as additives and the migration behavior of phenol, p-nitrophenol, and benzoic acid are studied as a model system to verify this theory. When the necessary viscosity correction factor is included, the net electrophoretic mobilities of the analytes obtained from experimental results agree with the values predicted by the theory based on dynamic complexation. Although only experiments with one and two additives were carried out to verify the theory, the equations apply to situations when more than two additives are used. The relationship between the theories of electrophoresis and chromatography is clarified.},
	keywords = {additives, analyte migration, BEHAVIOR, BETA-CYCLODEXTRIN, BINDING, capillary electrophoresis, CHIRAL RESOLUTION, DYNAMIC COMPLEXATION, ELECTROKINETIC CHROMATOGRAPHY, OPTIMIZATION, SELECTIVITY, SEPARATION, viscosity correction},
	isbn = {0173-0835},
	url = {<Go to ISI>://A1997XC56500008},
	author = {Peng, X. J. and Bowser, M. T. and BritzMcKibbin, P. and Bebault, G. M. and Morris, J. R. and Chen, D. D. Y.}
}
@article {4026,
	title = {Simplex optimisation of conditions for the determination of antimony in environmental samples by using electrothermal atomic absorption spectrometry},
	journal = {Talanta},
	volume = {44},
	number = {7},
	year = {1997},
	note = {ISI Document Delivery No.: XE053Times Cited: 14Cited Reference Count: 24},
	month = {Jul},
	pages = {1241-1251},
	type = {Article},
	abstract = {Analysis of the total antimony in plant material was unsuccessful using the electrothermal atomic absorption spectrometry (ETAAS) conditions recommended by the instrument manufacturer. For this reason, an optimisation procedure utilising the Plackett-Burman method, simplex optimisation and visualisation of the generated response surface via principal components analysis, was carried out. The Plackett-Burman method was used to eliminate four of the initial variables chosen. Four variables (atomisation temperature, atomisation time, ash temperature and modifier concentration) were subsequently optimised using the composite modified simplex method and the results were visualised as a contour diagram, after reduction to two principal components. The optimised conditions were used for the analysis of both an acid digested pine needle standard reference material (NIST 1575) and a pond weed sample, collected from a contaminated site at Yellowknife Bay, Yellowknife, NWT, Canada. The total concentration of antimony present in the pine needles was statistically indistinguishable from the non-certified value, as was the value for the pond weed sample, compared with a value determined by neutron activation analysis (NAA). The results for the analysis of the pond weed sample by ETAAS agreed with those obtained from a subsequent analysis by inductively coupled plasma-mass spectrometry. (C) 1997 Elsevier Science B.V.},
	keywords = {ANTIMONY, electrothermal atomic absorption spectroscopy, environmental, GRAPHITE-FURNACE, HYDRIDE GENERATION, INTERFERENCES, OPTIMIZATION, PLASMA-MASS-SPECTROMETRY, REFLECTIONS, SAMPLES, simplex optimisation and Plackett-Burman design},
	isbn = {0039-9140},
	url = {<Go to ISI>://A1997XE05300013},
	author = {Koch, I. and Harrington, C. F. and Reimer, K. J. and Cullen, W. R.}
}
@article {3632,
	title = {Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. Twelve test cases and application to three C2H4O2 isomers},
	journal = {Chemical Physics Letters},
	volume = {249},
	number = {5-6},
	year = {1996},
	note = {ISI Document Delivery No.: TW650Times Cited: 43Cited Reference Count: 19},
	month = {Feb},
	pages = {491-495},
	type = {Article},
	abstract = {A scaling procedure based on Clementi and Raimondi{\textquoteright}s rules for atomic screening was proposed for atomic orbital basis sets in the unrestricted generalized transition state (uGTS) model of density functional calculation of core-electron binding energies (CEBEs). The exchange-correlation potential is based on a combined functional of Becke{\textquoteright}s exchange (B88) and Perdew{\textquoteright}s correlation (P86). This proposal was tested on CEBEs of twelve small molecules, including F-2, N-2 and H2O, and applied to the computation of CEBEs of three isomers of C2H4O2: acetic acid (CH3COOH), methyl formate (HCOO-CH3), and glycolic aldehyde (CH2OHCHO). In all cases, the new scaled pVTZ basis performs almost as well as the much larger cc-pV5Z and the average absolute difference between the results from the scaled pVTZ and estimated complete basis set limits is O.04 eV.},
	keywords = {APPROXIMATION, ATOMS, BORON, NEON, OPTIMIZATION},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1996TW65000029},
	author = {Chong, D. P. and Hu, C. H. and Duffy, P.}
}
@article {3685,
	title = {Rational design of fiber-optic probes for visible and pulsed-ultraviolet resonance Raman spectroscopy},
	journal = {Applied Optics},
	volume = {35},
	number = {21},
	year = {1996},
	note = {ISI Document Delivery No.: VA608Times Cited: 16Cited Reference Count: 24OSA 1995 Annual Meeting1995PORTLAND, OROpt Soc Amer},
	month = {Jul},
	pages = {4086-4095},
	type = {Proceedings Paper},
	abstract = {The investigated the performance of fiber-optic resonance Raman probes with a series of experiments to determine the working curves of such probes using model analytes and to investigate the effects of absorbing media. A computer model designed to simulate these experiments is presented, and numerical results are found to be in agreement with the experimental data. Design considerations resulting from these studies are discussed, and novel designs for overcoming problems of coupling efficiency, damage threshold, and sensitivity in absorbing samples are presented. These findings are applied to the design of fiber-optic probes for ultraviolet resonance Raman spectroscopy involving nanosecond pulsed-ultraviolet excitation (225 and 266 nm). These probes have been used to collect what is, to our knowledge, the first reported fiber-optic-linked ultraviolet resonance Raman spectra of tryptophan and DNA. (C) 1996 Optical Society of America},
	keywords = {AROMATIC-AMINO-ACIDS, EFFECTIVE DEPTH, fiber-optic probes, LASER EXCITATION, numerical modeling of, optical fibers, OPTIMIZATION, Raman spectroscopy, remote Raman, resonance Raman spectroscopy, SCATTERING, sensors, SPECTROSCOPY},
	isbn = {0003-6935},
	url = {<Go to ISI>://A1996VA60800014},
	author = {Greek, L. S. and Schulze, H. G. and Haynes, C. A. and Blades, M. W. and Turner, R. F. B.}
}
@article {3685,
	title = {Rational design of fiber-optic probes for visible and pulsed-ultraviolet resonance Raman spectroscopy},
	journal = {Applied Optics},
	volume = {35},
	number = {21},
	year = {1996},
	note = {ISI Document Delivery No.: VA608Times Cited: 16Cited Reference Count: 24OSA 1995 Annual Meeting1995PORTLAND, OROpt Soc Amer},
	month = {Jul},
	pages = {4086-4095},
	type = {Proceedings Paper},
	abstract = {The investigated the performance of fiber-optic resonance Raman probes with a series of experiments to determine the working curves of such probes using model analytes and to investigate the effects of absorbing media. A computer model designed to simulate these experiments is presented, and numerical results are found to be in agreement with the experimental data. Design considerations resulting from these studies are discussed, and novel designs for overcoming problems of coupling efficiency, damage threshold, and sensitivity in absorbing samples are presented. These findings are applied to the design of fiber-optic probes for ultraviolet resonance Raman spectroscopy involving nanosecond pulsed-ultraviolet excitation (225 and 266 nm). These probes have been used to collect what is, to our knowledge, the first reported fiber-optic-linked ultraviolet resonance Raman spectra of tryptophan and DNA. (C) 1996 Optical Society of America},
	keywords = {AROMATIC-AMINO-ACIDS, EFFECTIVE DEPTH, fiber-optic probes, LASER EXCITATION, numerical modeling of, optical fibers, OPTIMIZATION, Raman spectroscopy, remote Raman, resonance Raman spectroscopy, SCATTERING, sensors, SPECTROSCOPY},
	isbn = {0003-6935},
	url = {<Go to ISI>://A1996VA60800014},
	author = {Greek, L. S. and Schulze, H. G. and Haynes, C. A. and Blades, M. W. and Turner, R. F. B.}
}
@article {3480,
	title = {AN AUTOCLAVABLE GLUCOSE BIOSENSOR FOR MICROBIAL FERMENTATION MONITORING AND CONTROL},
	journal = {Biotechnology and Bioengineering},
	volume = {46},
	number = {6},
	year = {1995},
	note = {ISI Document Delivery No.: QY630Times Cited: 16Cited Reference Count: 49},
	month = {Jun},
	pages = {514-524},
	type = {Article},
	abstract = {The design, construction, and characterization of a prototype-regenerable glucose biosensor based on the reversible immobilization of glucose oxidase (GOx) using cellulose binding domain (CBD) technology is described. GOx, chemically linked to CBD, is immobilized by binding to a cellulose matrix on the sensor-indicating electrode. Enzyme immobilization can be reversed by perfusing the cellulose matrix with a suitable eluting solution. An autoclavable sensor membrane system is employed which is shown to be practical for use in real microbial fermentations. The prototype glucose biosensor was used without failure or deterioration during fed-batch fermentations of Escherichia coli reaching a maximum cell density of 85 g (dry weight)/L. Medium glucose concentration based on sensor output correlated closely with off-line glucose analysis and was controlled manually at 0.44 +/- 0.2 g/L for 2 h based on glucose sensor output. The sensor enzyme component could be eluted and replaced without interrupting the fermentation. To our knowledge, no other in situ biosensor has been used for such an extended period of time in such a high-cell-density fermentation. (C) 1995 John Wiley \& Sons, Inc.},
	keywords = {(CBD), AMPEROMETRIC BIOSENSORS, BATCH, BIOSENSOR, CELLULOSE BINDING DOMAIN, CELLULOSE-BINDING DOMAIN, ELECTROCHEMICAL DETECTOR, ENZYME ELECTRODE, ESCHERICHIA-COLI, FERMENTATION MONITORING, FLOW-INJECTION ANALYSIS, GLUCOSE BIOSENSOR, GLUCOSE OXIDASE, OPTIMIZATION, OXIDASE ELECTRODE, OXYGEN},
	isbn = {0006-3592},
	url = {<Go to ISI>://A1995QY63000003},
	author = {Phelps, M. R. and Hobbs, J. B. and Kilburn, D. G. and Turner, R. F. B.}
}
@article {2994,
	title = {GROUND-STATE CONFIGURATIONS OF MODEL MOLECULAR CLUSTERS},
	journal = {Journal of Chemical Physics},
	volume = {100},
	number = {3},
	year = {1994},
	note = {ISI Document Delivery No.: MU316Times Cited: 24Cited Reference Count: 32},
	month = {Feb},
	pages = {2213-2219},
	type = {Article},
	abstract = {We have determined the ground state configurations of model molecular dipolar clusters using Monte Carlo simulations. Cluster sizes ranged from N=3 to N=20. The molecular models consisted of spherically symmetric hard sphere or Lennard-Jones interactions, as well as dipole-dipole, dipole-quadrupole, and quadrupole-quadrupole interactions. Molecular polarizability was also included in some calculations. We first found the ground state configurations of dipolar hard sphere clusters, and then systematically increased the quadrupole moment and molecular polarizability from zero up to typical values for small molecules. The relevance of our results to real molecular clusters is discussed.},
	keywords = {COMPUTATIONS, DYNAMICS, HYDROGEN-FLUORIDE CLUSTERS, LENNARD-JONES CLUSTERS, LIQUID, MONTE-CARLO, OPTIMIZATION, SIMULATION, STABILITY},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1994MU31600043},
	author = {Clarke, A. S. and Patey, G. N.}
}
