@article {Delgado-Jaime2010a,
	title = {Blueprint XAS: a Matlab-based toolbox for the fitting and analysis of XAS spectra.},
	journal = {J. Syncr. Rad.},
	volume = {17},
	number = {1},
	year = {2010},
	month = {jan},
	pages = {132{\textendash}7},
	abstract = {Blueprint XAS is a new Matlab-based program developed to fit and analyse X-ray absorption spectroscopy (XAS) data, most specifically in the near-edge region of the spectrum. The program is based on a methodology that introduces a novel background model into the complete fit model and that is capable of generating any number of independent fits with minimal introduction of user bias [Delgado-Jaime \& Kennepohl (2010), J. Synchrotron Rad. 17, 119-128]. The functions and settings on the five panels of its graphical user interface are designed to suit the needs of near-edge XAS data analyzers. A batch function allows for the setting of multiple jobs to be run with Matlab in the background. A unique statistics panel allows the user to analyse a family of independent fits, to evaluate fit models and to draw statistically supported conclusions. The version introduced here (v0.2) is currently a toolbox for Matlab. Future stand-alone versions of the program will also incorporate several other new features to create a full package of tools for XAS data processing.},
	keywords = {ALGORITHMS, Computer-Assisted, Data Interpretation, METHODOLOGY, Numerical Analysis, Programming Languages, Software, Statistical, X-ray absorption spectroscopy, X-Ray Absorption Spectroscopy: methods, XAS},
	issn = {1600-5775},
	doi = {10.1107/S0909049509046561},
	url = {http://www.ncbi.nlm.nih.gov/pubmed/20029122},
	author = {Delgado-Jaime, Mario Ulises and Mewis, Craig Philip and Kennepohl, Pierre}
}
@article {Delgado-Jaime2010,
	title = {Development and exploration of a new methodology for the fitting and analysis of XAS data.},
	journal = {Journal of synchrotron radiation},
	volume = {17},
	number = {1},
	year = {2010},
	month = {jan},
	pages = {119{\textendash}28},
	abstract = {A new data analysis methodology for X-ray absorption near-edge spectroscopy (XANES) is introduced and tested using several examples. The methodology has been implemented within the context of a new Matlab-based program discussed in a companion related article [Delgado-Jaime et al. (2010), J. Synchrotron Rad. 17, 132-137]. The approach makes use of a Monte Carlo search method to seek appropriate starting points for a fit model, allowing for the generation of a large number of independent fits with minimal user-induced bias. The applicability of this methodology is tested using various data sets on the Cl K-edge XAS data for tetragonal CuCl(4)(2-), a common reference compound used for calibration and covalency estimation in M-Cl bonds. A new background model function that effectively blends together background profiles with spectral features is an important component of the discussed methodology. The development of a robust evaluation function to fit multiple-edge data is discussed and the implications regarding standard approaches to data analysis are discussed and explored within these examples.},
	keywords = {ALGORITHMS, Computer-Assisted, Data Interpretation, METHODOLOGY, Numerical Analysis, Software, Software Design, Statistical, X-ray absorption spectroscopy, X-Ray Absorption Spectroscopy: methods, XAS},
	issn = {1600-5775},
	doi = {10.1107/S090904950904655X},
	url = {http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=2816928\&tool=pmcentrez\&rendertype=abstract},
	author = {Delgado-Jaime, Mario Ulises and Kennepohl, Pierre}
}
@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 {ISI:000238269600054,
	title = {X-ray absorption methods for the determination of Ru{\textendash}Cl bond covalency in olefin metathesis catalysts: On the normalization of chlorine K-edges in ruthenium complexes},
	journal = {Inorg. Chim. Acta},
	volume = {359},
	number = {9},
	year = {2006},
	pages = {3042{\textendash}3047},
	abstract = {A systematic approach to quantitative analysis of Cl K-edge XAS spectra in ruthenium complexes is outlined and applied to ruthenium carbene complexes involved in olefin metathesis catalysis. This method is generally well-suited for probing ligand donor contributions into empty transition metal d orbitals, but overlap of the Ru L-2,L-3 edge makes this very difficult in these complexes. A method for removing the Ru L-2,L-3 edges from the Cl K-edge spectrum is developed and tested. The normalization procedure makes use of the well-separated Ru L-2 edge and an appropriate L-3/L-2 branching ratio to unambiguously remove contributions from these edges and allow for accurate normalization of the Cl K-edge spectrum. A generalized background subtraction that accounts for variability over the large energy range involved is also described. The methodology should be general for any similarly overlapping edges, as long as one component of the spin-orbit split metal (L- or M-) edge is unperturbed. The results of this study indicate a substantial difference in Ru-Cl bonding depending on the nature of the catalyst. (c) 2006 Elsevier B.V. All rights reserved.},
	keywords = {METHODOLOGY, OLEFIN METATHESIS, XAS},
	issn = {00201693},
	doi = {10.1016/j.ica.2005.12.058},
	url = {http://linkinghub.elsevier.com/retrieve/pii/S0020169306000260},
	author = {Delgado-Jaime, Mario Ulises and Conrad, Jay C and Fogg, Deryn E and Kennepohl, Pierre}
}
@article {4573,
	title = {The Norrish type II reaction in the crystalline state: Toward a better understanding of the geometric requirements for gamma-hydrogen atom abstraction},
	journal = {Tetrahedron},
	volume = {55},
	number = {4},
	year = {1999},
	note = {ISI Document Delivery No.: 159BRTimes Cited: 69Cited Reference Count: 58},
	month = {Jan},
	pages = {885-907},
	type = {Article},
	abstract = {By correlating the success or failure of the Norrish type II reaction for a series of compounds in the crystalline state with geometric data derived from X-ray crystallography (the so-called Crystal Structure-Solid State Reactivity Method), the distance and angular requirements for photochemical gamma-hydrogen atom abstraction have been established. These studies indicate that abstractions are preferred when the C=O ... H-gamma, distance is close to the sum of the van der Waals radii of hydrogen and oxygen (2.72 Angstrom), and that the gamma-hydrogen atom can deviate by as much as 50-60 degrees from the plane containing the oxygen n-orbital responsible for abstraction. Because molecular conformations and interatomic distances and angles can be calculated readily by using empirical force field methods, such data permit predictions to be made concerning the outcome of hypothetical Norrish type II processes. (C) 1999 Elsevier Science Ltd. All rights reserved.},
	keywords = {ABSOLUTE ASYMMETRIC-SYNTHESIS, CONFORMATIONAL CONTROL, ENVIRONMENT, KETONES, METHODOLOGY, MOLECULES, PHOTOCHEMISTRY, PHOTOCYCLIZATION, SOLID-STATE, SPECTRA},
	isbn = {0040-4020},
	url = {<Go to ISI>://000078152400001},
	author = {Ihmels, H. and Scheffer, J. R.}
}
