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My Professional Profile

Dr David J. Parker

Date of Birth:   Request via my Contact Page Nationality:   British Address / Telephone:   Request via my Contact Page Email:   Via my Contact Page

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Overview

BSc, MSc and PhD qualified research chemist with postdoctoral experience. Currently employed as a Technical Editor by a scientific publishing house. I have a qualification in Chemoinformatics (chemical information science), work that included undertaking a project placement with Syngenta. High IT fluency with interests in database design, web development, programming and data storage / retrieval methods. Seven years work experience in the scientific publishing, education, IT and insurance sectors. I intend to pursue a career in scientific publishing.

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Education

2003-2004: University of Sheffield, Department of Information Studies MSc: Chemoinformatics (awarded with Distinction) • The application of information science and IT to chemical research and development. • My course included: Chemoinformatics 2D & 3D substructure searching / Patent information retrieval / Chemical Abstracts & Beilstein / Measures of chemical similarity / QSAR / De Novo design / Docking / High Throughput Screening / Bioinformatics. Database Design Oracle & Access interfacing and GUI design. Object-Oriented Programming Java / Perl / Application development. Electronic Publishing XML / XHTML / CSS / ASP / e-Books & e-Journals / Copyright & intellectual property issues. Information Storage and Retrieval methods Online searching, query types, indexing, databases. Information Systems Modelling 'Hard' and 'Soft' system methodologies. • Summer 2004 project placement with the Chemical Design Group at Syngenta (Jealott's Hill, UK). I studied the influence of tautomerism on current computational tools used to predict solubility (log Sw), acid-base ionization constant (pKa) and lipophilicity (log P). • Dissertation title: The Effect Of Tautomerism On The Prediction Of Bioavailability And Virtual Screening. 1993-1997: The Open University, Department of Chemistry PhD: Physical-organic chemistry (awarded) • Project co-supervised by Professors Alan Bassindale and Peter Taylor. • Thesis title: Modelling Nucleophilic Substitution At Main Group Elements Using NMR Spectroscopy And X-Ray Crystallography. • Full details of my work and publications are given in the Chemistry Experience section. 1990-1993: University Of Salford, Department of Chemistry BSc (Hons): Chemistry (graded 2.1) • Final year project title: Synthesis Using Sound: The Application of Ultrasound to Accelerating Organic and Organometallic reactions. • I was awarded the first year prize for achievement and progress on the course. 1988-1990: Shrewsbury Sixth Form College GCSE: English Language (D). A-Level: Chemistry (B), Physics (C), Geography (C). 1983-1988: Priory School, Shrewsbury GCSE: Chemistry (B), Design (B), Physics (C), Maths (C), Geography (C), English Language (D), English Literature (D), German (D), Music (D).

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IT Experience

Chemoinformatics tools, utilities and concepts: • Chemical property prediction tools: AlogP, ClogP, ACD/logP (log P), ESOL (aqueous solubility) and ACD/pKa (pKa) • DIVA • Sybyl • Merlin • ISIS Draw • GASP • Unity • Chem 3D • Mercury • Cerius 2 • Beilstein • Chemical Abstracts • GOLD • Markush structures • SMILES & SMARTS • Crystalmaker 2 • Syngenta proprietary software Web design: Professional and personal projects using HTML, ASP, XML and XHTML. FrontPage and hand coding, browser compatibility testing, CSS and JavaScript. Relational Database Design: Oracle and Access, interface design, macros, documentation. Object-Oriented Programming: Java and Perl. Application development to solve specific chemical problems. Graphic Design: Graphics for websites including buttons, banners and animations using Adobe Photoshop 4 and simulants. Website Promotion: I have studied how Search Engines such as Google and AOL rank web pages to learn how to design optimised web pages to generate good rankings. I used WebPosition software to analyse the structure and content of web pages and report ranking results. Desktop applications: Proficient with PC Windows and UNIX environments and MS Office products such as Word, Excel and PowerPoint. Capable in day to day PC up-keep such as hardware and software installation and configuration.

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Chemistry Experience

Synthetic and structural organometallic chemistry: I have studied the reaction pathway of nucleophilic substitution in silicon and tin compounds, and probed the steric and electronic factors that influence this mechanism, critical in the industrial chemistry of these elements, and the unusual structural intermediates that occur on its trajectory. I also have interests in the materials chemistry of silsesquioxane cage compounds. My major research areas remain summarised on the research page of my former university. Multinuclear NMR spectroscopy: Operation of 60, 90 and 400 MHz spectrometers, including solid state and solution modes, variable temperature studies and 2-D correlation techniques. X-Ray crystallography: I have developed expertise in growing high quality crystals for analysis, and in aspects of the solving, interpreting and presenting crystal structure data. Ultrasound in chemistry: The theoretical aspects and practical considerations of using ultrasound generators to accelerate chemical reactions. Dry / inert atmosphere chemistry: Much of my chemical research has involved the synthesis of highly air or moisture sensitive compounds, requiring the use of air-tight apparatus, vacuum line techniques and specially dried solvents. Instruction: I have worked with Open University chemistry undergraduates taking part in residential Summer Schools, helping them use laboratory apparatus and UV, IR and GC instruments. I have also trained numerous colleagues to use various NMR spectrometers. Publications to date (* = self-written): "Recent Advances In Organosilicon Chemistry", A. R. Bassindale, S. J. Glynn, J. Jiang, D. J. Parker, R. Turtle, P. G. Taylor and S. S. D. Brown, in Organosilicon Chemistry II. From Molecules to Materials, ed. N. Auner and J. Weiss, Wiley-VCH, Weinheim, 1996, pp. 411. "Modelling nucleophilic substitution at silicon in solution using hypervalent silicon compounds based on 2-pyridones", A. R. Bassindale, M. Borbaruah, S. J. Glynn, D. J. Parker and P. G. Taylor, J. Chem. Soc., Perkin Trans. 2, 1999, 2099. "Modelling nucleophilic substitution at silicon in solution using hypervalent silicon compounds based on 2-thiopyridones", A. R. Bassindale, D. J. Parker and P. G. Taylor, J. Chem. Soc., Perkin Trans. 2, 2000, 1059. "The X-ray structure of a protonated hypervalent silanol", A. R. Bassindale, D. J. Parker, P. G. Taylor, N. Auner and B. Herrschaft, Chem. Commun., 2000, 565. "Modelling nucleophilic substitution at silicon using hypervalent silicon compounds based on di- and tri-halosilanes", A. R. Bassindale, M. Borbaruah, S. J. Glynn, D. J. Parker and P. G. Taylor, J. Organomet. Chem., 606, 2000, 125. "Chemoselective methylation of amides and heterocycles using chloromethyldimethylsilyl chloride", A.R. Bassindale, D. J. Parker, P. Patel and P. G. Taylor, Tetrahedron Lett., 25, 2000, 4933. "Modelling nucleophilic substitution at silicon by structural correlation with X-ray crystallography and NMR spectroscopy", A. R. Bassindale, D. J. Parker, P. G. Taylor, N. Auner and B. Herrschaft, J. Organomet. Chem., 667, 2003, 66. * "Modelling nucleophilic substitution at silicon using 19F NMR chemical shift, 1JSi-F and 2JC-F coupling constant data of pentacordinate silicon compounds. Correlation with other magnetic nuclei and X-ray structures", A. R. Bassindale, Yu. I. Baukov, M. Borbaruah, S. J. Glynn, V. V. Negrebetsky, D. J. Parker, P. G. Taylor and R. Turtle, J. Organomet. Chem., 669, 2003, 154. * "Structural elucidations of T8 and Q8 silsesquioxane cages containing two types of pendant group using 29Si NMR spectroscopy", A. R. Bassindale, D. J. Parker, P. G. Taylor and A. C. Watt, Can. J. Chem., 81, 2003, 1341. * "The reactions of dialkyl and diarylethoxysilanes with T6 silsesquioxane cages. X-ray crystallographic studies of the mono- T6D1 and bis-T6D2 insertion ring expansion products", A. R. Bassindale, Z. Liu, D. J. Parker, P. G. Taylor, P. N. Horton, M. B. Hursthouse and M. E. Light, J. Organomet. Chem., 687, 2003, 1. * "Fluoride ion entrapment in octasilsesquioxane cages as models for ion entrapment in zeolites. Further examples, X-ray crystal structure studies, and investigations into how and why they may be formed", A. R. Bassindale, D. J. Parker, M. Pourny, P. G. Taylor, P. N. Horton, M. B. Hursthouse, Organometallics, 23, 2004, 4400. * "A higher yielding route to octasilsesquioxane cages using tetrabutylammonium fluoride, Part 2: Further synthetic advances, mechanistic investigations and X-ray crystal structure studies into the factors that determine cage geometry in the solid state", A. R. Bassindale, H. Chen, Z. Liu, I. A. MacKinnon, D. J. Parker, P. G. Taylor, X. Yang, P. N. Horton, M. B. Hursthouse and M. E. Light, J. Organomet. Chem., 689, 2004, 3287. *

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Work Experience

2005-present: Technical Editor: The Royal Society of Chemistry (RSC), Cambridge I work in the society's Publishing division on the production of its databases and periodicals, particularly Chemical Communications, New Journal of Chemistry (NJC), Chemical Society Reviews and Annual Reports on the Progress of Chemistry in both in print and electronic formats. This involves the editing of articles in XML format, their typesetting and proofreading, the manipulation of artwork, and the preparation and printing of individual issues of journal titles. I am the production coordinator of NJC, responsible for ensuring that accepted manuscripts are processed efficiently and published in a timely manner, especially for planned themed issues of the journal. I also write commissioned articles for the RSC's Chemical Science, Chemical Technology and Chemical Biology supplements, Chemistry World magazine, and source and prepare images for rsc.org. I am a regular contibutor to the working group developing the RSC's enhanced online journal article service - the recently launched Project Prospect. 2002-2003: Postdoctoral Research Fellow: The Open University, Department of Chemistry, Milton Keynes Working in the research group of Professors Alan Bassindale and Peter Taylor, my research interests were in the structures and formation of "T8" silsesquioxane cages containing more than one type of pendant group and the dynamics and stereochemistry of nucleophilic substitution at silicon. I developed a Microsoft Access database for my research group to store their experimental data.        I designed and maintained the research group's website in liaison with the university's webmasters, and in line with university policy and web standards. I wrote six full paper journal articles, all of which are now published in the mainstream chemical literature. My research interests remain summarised on my university research page. The Chemistry Experience section contains a full list of my publications. 2001-2002: Technical Editor (various roles): The MMM Group, Bolton (Internet Solution Provider) Website Promotion: Promoting the websites of clients to Internet search engines to improve their ranking and so generate more customers. This involved strong elements of web design, as well as page structure analysis and optimisation, in order to obtain the best results. Web Design: I helped maintain a number of corporate websites and completely re-designed that of the Website Promotion service I ran (formerly www.staytop.co.uk). Also see my Personal Profile and Postdoctoral position above for further web projects. Software Development: Shakedown testing of new software developed in-house. I also wrote the documentation that accompanied its final release. Technical Writing: I wrote a series of articles on Internet-related issues that appeared in a monthly regional business magazine. 2000-2001: New Business Case Handler: Friends Provident Life Office, Manchester (Financial Services) Translation of client's applications for financial products into policies, working with financial advisors, doctors, underwriters and clients in order to do so. Detailed training and knowledge of policy types, industry regulations and data protection requirements. I won an internal award for work improving work quality and reducing incidences of complaints. 1998-2000: Agency Staff for Brook Street and assigned to various organisations: University of Manchester Finance Office: Collating and assigning payments received to the university's bank account (1998) University of Manchester Student Records Office: General administration (1998) Friends Provident Life Office, Manchester (Insurance): Policy application processing (1998-9). I was subsequently promoted to a permanent position in January 2000 (see above). 1998: Company Administrator: Micro Systems Corporation, Sale, Manchester Accounts, payments and stock control. Switchboard and sales call fielding. Shipment receipt and dispatch. Company website development. 1996-1998: Contractor for the Open University, Milton Keynes (various short posts additionally-funded to my PhD studies) Research Assistant: UV analysis of potential contact lens materials (1997) Research Assistant: Crystallisation and X-ray structure determination of novel pentacoordinated silicon compounds (based at Humboldt University, Berlin) (6 weeks in 1997) Technical Assistant: Laboratory assistant at chemistry Summer Schools held in Nottingham (1996) and York (1997) universities working in undergraduate classes. Graphics Developer: Designing molecular graphics for inclusion on CD-ROM teaching material (1998) Trainer: Teaching members of staff to use three NMR spectrometers (1997-8)

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Other interests

See my Personal Profile for more details.

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Referees

These can be requested via my Contact Page.

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