Report on Activities of the Financial Accounting Foundation, As Presented at the AICPA Spring Council meeting, May 9, 1973

https://egrove.olemiss.edu/aicpa_assoc/1933/thumbnail.jp

On the Shuffle Automaton Size for Words

We investigate the state size of DFAs accepting the shuffle of two words. We provide words u and v, such that the minimal DFA for u shuffled with v requires an exponential number of states. We also show some conditions for the words u and v which ensure a quadratic upper bound on the state size of u shuffled with v. Moreover, switching only two letters within one of u or v is enough to trigger the change from quadratic to exponential

Kinetic Parameter Estimation from Spectroscopic Data for a Multi-Stage Solid-Liquid Pharmaceutical Process

Laboratory and process measurements from spectroscopic instruments are ubiquitous in pharma processes, and directly using the data can pose a number of challenges for kinetic model building. Moreover, scaling up from laboratory to industrial level requires predictive models with accurate parameter values. This means that process identification implies not only kinetic parameter estimation but also the identification of the absorbing species and estimation of variances for both the data and parameters. The recently developed, open-source toolkit KIPET (Short, M.; Schenk, C.; Thierry, D.; Rodriguez, J. S.; Biegler, L. T.; Garcı́a-Muñoz, S. Proceedings of the 9th International Conference on Foundations of Computer-Aided Process Design, 2019, 47, 299; Schenk, C.; Short, M.; Thierry, D.; Rodriguez, J. S.; Biegler, L. T.; Garcı́a-Muñoz, S.; Chen, W. Comput. Chem. Eng.2020, 134, 106716) addresses these topics and provides an alternative to standard parameter estimation packages, in particular for spectroscopic data problems. Moreover, batch processes commonly used in the chemical and pharmaceutical industries involve multiple stages to carry out synthesis operations in a step-by-step manner, often dealing with heterogeneous mixtures, wide operating temperatures, and constant additions and removals of product and waste. For such cases novel modeling approaches are required, as the structure of the kinetic model may vary with time, with model switches that are state dependent. This study presents a new modeling approach and methodology that deals with these practical issues. In developing kinetic models, it approximates the solid dissolution process and deals with multiple stages with different reactor temperatures. Moreover, variances, parameters, concentration, and absorbance profiles are estimated for the process stages using the approach presented by Chen et al. (Chen, W.; Biegler, L. T.; Garcı́a Muñoz, S. J. Chemom.2016, 30, 506). The application of these developed concepts results in realistic profiles as well as reliable kinetic parameter values. The outcomes of this work show that KIPET is a useful toolkit for dealing with pharmaceutical processes with capabilities for dealing with challenging kinetic modeling problems.Funded by Pfizer Inc

3-D multiobservable probabilistic inversion for the compositional and thermal structure of the lithosphere and upper mantle: III. Thermochemical tomography in the Western-Central U.S.

Acknowledgments We are indebted to F. Darbyshire and J. von Hunen for useful comments on earlier versions of this work. This manuscript benefited from thorough and constructive reviews by W. Levandowski and an anonymous reviewer. We also thank J. Connolly, M. Sambridge, B. Kennett, S. Lebedev, B. Shan, U. Faul, and M. Qashqai for insightful discussions about, and contributions to, some of the concepts presented in this paper. The work of J.C.A. has been supported by two Australian Research Council Discovery grants (DP120102372 and DP110104145). Seismic data are from the IRIS DMS. D.L.S. acknowledges support from NSF grant EAR-135866. This is contribution 848 from the ARC Centre of Excellence for Core to Crust Fluid Systems (http://www.ccfs.mq.edu.au) and 1106 in the GEMOC Key Centre (http://www.gemoc.mq.edu.au).Peer reviewedPublisher PD

Implementation of an innovative teaching project in a Chemical Process Design course at the University of Cantabria, Spain

This paper shows the planning, the teaching activities and the evaluation of the learning and teaching process implemented in the Chemical Process Design course at the University of Cantabria, Spain. Educational methods to address the knowledge, skills and attitudes that students who complete the course are expected to acquire are proposed and discussed. Undergraduate and graduate engineers' perceptions of the methodology used are evaluated by means of a questionnaire. Results of the teaching activities and the strengths and weaknesses of the proposed case study are discussed in relation to the course characteristics. The findings of the empirical evaluation shows that the excessive time students had to dedicate to the case study project and dealing with limited information are the most negative aspects obtained, whereas an increase in the students' self-confidence and the practical application of the methodology are the most positive aspects. Finally, improvements are discussed in order to extend the application of the methodology to other courses offered as part of the chemical engineering degree.This work was partially supported with the financial help of the University of Cantabria, 1st and 2nd Teaching Innovation Programs 2011-2012, 2013-2014, Projects Innodesign 1 and 2

Siderite micro-modification for enhanced corrosion protection

Production of oil and gas results in the creation of carbon dioxide (CO₂) which when wet is extremely corrosive owing to the speciation of carbonic acid. Severe production losses and safety incidents occur when carbon steel (CS) is used as a pipeline material if corrosion is not properly managed. Currently corrosion inhibitor (CI) chemicals are used to ensure that the material degradation rates are properly controlled; this imposes operational constraints, costs of deployment and environmental issues. In specific conditions, a naturally growing corrosion product known as siderite or iron carbonate (FeCO₃) precipitates onto the internal pipe wall providing protection from electrochemical degradation. Many parameters influence the thermodynamics of FeCO₃ precipitation which is generally favoured at high values of temperatures, pressure and pH. In this paper, a new approach for corrosion management is presented; micro-modifying the corrosion product. This novel mitigation approach relies on enhancing the crystallisation of FeCO₃ and improving its density, protectiveness and mechanical properties. The addition of a silicon-rich nanofiller is shown to augment the growth of FeCO₃ at lower pH and temperature without affecting the bulk pH. The hybrid FeCO₃ exhibits superior general and localised corrosion properties. The findings herein indicate that it is possible to locally alter the environment in the vicinity of the corroding steel in order to grow a dense and therefore protective FeCO₃ film via the incorporation of hybrid organic-inorganic silsesquioxane moieties. The durability and mechanical integrity of the film is also significantly improved

Quantum mechanical studies of lincosamides

Lincosamides are a class of antibiotics used both in clinical and veterinary practice for a wide range of pathogens. This group of drugs inhibits the activity of the bacterial ribosome by binding to the 23S RNA of the large ribosomal subunit and blocking protein synthesis. Currently, three X-ray structures of the ribosome in complex with clindamycin are available in the Protein Data Bank, which reveal that there are two distinct conformations of the pyrrolidinyl propyl group of the bound clindamycin. In this work, we used quantum mechanical methods to investigate the probable conformations of clindamycin in order to explain the two binding modes in the ribosomal 23S RNA. We studied three lincosamide antibiotics: clindamycin, lincomycin, and pirlimycin at the B3LYP level with the 6-31G** basis set. The focus of our work was to connect the conformational landscape and electron densities of the two clindamycin conformers found experimentally with their physicochemical properties. For both functional conformers, we applied natural bond orbital (NBO) analysis and the atoms in molecules (AIM) theory, and calculated the NMR parameters. Based on the results obtained, we were able to show that the structure with the intramolecular hydrogen bond C=O…H–O is the most stable conformer of clindamycin. The charge transfer between the pyrrolidine-derivative ring and the six-atom sugar (methylthiolincosamide), which are linked via an amide bond, was found to be the dominant factor influencing the high stability of this conformer

Fabrication of Pt/Ru Nanoparticle Pair Arrays with Controlled Separation and their Electrocatalytic Properties

Aiming at the investigation of spillover and transport effects in electrocatalytic reactions on bimetallic catalyst electrodes, we have prepared novel, nanostructured electrodes consisting of arrays of homogeneously distributed pairs of Pt and Ru nanodisks of uniform size and with controlled separation on planar glassy carbon substrates. The nanodisk arrays (disk diameter approximate to 60 nm) were fabricated by hole-mask colloidal lithography; the separation between pairs of Pt and Ru disks was varied from -25 nm (overlapping) via +25 nm to +50 nm. Morphology and (surface) composition of the Pt/Ru nanodisk arrays Were characterized by scanning electron microscopy, energy dispersive X-ray analysis, and X-ray Photoelectron spectroscopy, the electrochemical/electrocatalytic properties were explored by cyclic voltammetry, COad monolayer oxidation ("COad stripping"), and potentiodynamic hydrogen oxidation. Detailed analysis of the 2 COad oxidation peaks revealed that on all bimetallic pairs these cannot be reproduced by superposition of the peaks obtained on electrodes with Pt/Pt or Ru/Ru pairs, pointing to effective Pt-Ru interactions even between rather distant pairs (50 nm). Possible reasons for this observation and its relevance for the understanding of previous reports of highly active catalysts with separate Pt and Ru nanoparticles are discussed. The results clearly demonstrate that this preparation method is perfectly suited for fabrication of planar model electrodes with well-defined arrays of bimetallic nanodisk pairs, which opens up new possibilities for model studies of electrochemical/electrocatalytic reactions

Deciding Together?:Best Interests and Shared Decision-Making in Paediatric Intensive Care

In the western healthcare, shared decision making has become the orthodox approach to making healthcare choices as a way of promoting patient autonomy. Despite the fact that the autonomy paradigm is poorly suited to paediatric decision making, such an approach is enshrined in English common law. When reaching moral decisions, for instance when it is unclear whether treatment or non-treatment will serve a child’s best interests, shared decision making is particularly questionable because agreement does not ensure moral validity. With reference to current common law and focusing on intensive care practice, this paper investigates what claims shared decision making may have to legitimacy in a paediatric intensive care setting. Drawing on key texts, I suggest these identify advantages to parents and clinicians but not to the child who is the subject of the decision. Without evidence that shared decision making increases the quality of the decision that is being made, it appears that a focus on the shared nature of a decision does not cohere with the principle that the best interests of the child should remain paramount. In the face of significant pressures toward the displacement of the child’s interests in a shared decision, advantages of a shared decision to decisional quality require elucidation. Although a number of arguments of this nature may have potential, should no such advantages be demonstrable we have cause to revise our commitment to either shared decision making or the paramountcy of the child in these circumstances