30 August - 4 September 2009, Berg-en-Dal, Kruger National Park, South Africa

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Programme

[Scientific & Social Programme] [Sunday] [Monday] [Tuesday] [Wednesday] [Thursday] [Friday] [Posters] [Poster Prize] [Presentation facilities]


Programme Outline

Sunday afternoon (30 Aug): Registration and Welcoming Function
Monday - Thursday (31 Aug - 3 Sept): Scientific Programme
The schedule will allow for early morning and afternoon sightseeing (game-viewing) drives in the park.
Thursday evening (3 Sept): Closing Function
Friday Morning (4 Sept): Departure from Berg-en-Dal

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Full Scientific and Social Programme

Oral and poster presentations will have equal status at the conference.

Sunday 30 August
15:00 - 18:00 Registration at the Workshop venue in Berg-en-Dal
19:00 Welcoming function

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Monday 31 August
06:00 - 07:30 Sightseeing (Game veiwing) drive in the Park
07:30 - 08:30 Breakfast
Session 1
Chairperson:
tba
08:30 - 08:45 Welcome
08:45 - 09:30 Shunichi Fukuzumi
University of Osaka, Japan
"Artificial Photosynthetic Reaction Center"
09:30 - 10:15 Gernot Frenking
University of Marburg, Germany
"Molecules with unusual bonds - a challenge for theory and experiment"
10:15 - 10:45 Peter Galek
Cambridge Crystallographic Data Centre, Cambridge, UK
"Hydrogen Bond Propensities: Assessing Crystal Structure Stabiliy"
 
10:45 - 11:15 Coffee/Tea
Session 2
Chairperson:
tba
11:15 - 12:00 Kevin Naidoo
University of Cape Town, South Africa
"The free energy of molecular association: implications for liquids, macromolecules and crystals"
12:00 - 12:30 Helder Marques
University of the Witwatersrand, South Africa
"Molecular modelling and insights into biochemistry: how quinoline antimalarials work"
12:30 - 13:00 Marc Meunier
Accelrys Inc., Cambridge, UK
"Analytical Instruments Simulation and Crystal Structure Prediction using Accelrys' suite of software"
 
13:00 - 14:00 Lunch
 
14:00 - 18:00
Sightseeing (game viewing) drive in the Park

18:00 -
Poster Session with drinks and snacks


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Tuesday 1 September
06:00 - 07:30 Sightseeing (game viewing) drive in the Park
07:30 - 08:30 Breakfast
Session 3
Chairperson:
tba
08:30 - 09:15 Robert Deeth
University of Warwick, UK
"Molecular modelling for systems containing transition metal centres"
09:15 - 10:00 Alessia Bacchi
University of Parma, Italy
"Size and shape influence on inclusion properties of organometallic wheel-and-axle diols"
10:00 - 10:30 John Field
University of KwaZulu-Natal, Pietermaritzburg, South Africa
"A New Vapochromic Sensor Material"
.
10:30 - 11:00 Coffee/Tea
Session 4
Chairperson:
tba
11:00 - 11:45 Martin Egli
Vanderbild University, USA
"Structuring Circadian Time: The Cogs and Gears of a Molecular Clockwork"
11:45 - 12:30 Mike Lawrence
Walter and Eliza Hall Institute of Medical Research, Australia
"Receptor surprises - how crystallography relates structure to function"
12:30 - 13:00 Manuel Fernandes
University of the Witwatersrand, South Africa
"The influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder: 2,6-disubstituted N-phenylformamides"
.
13:00 - 14:00 Lunch
.
14:00 - 18:30
Sightseeing (game viewing) drive in the Park

18:30 - 19:30 Dinner
Session 5
Special Session

Chairperson: Peter Comba
19:30 - t.b.a.
   
   

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Wednesday 2 September
06:00 - 07:30 Sightseeing (Game viewing) drive in the Park
07:30 - 08:30 Breakfast
Session 6
Chairperson:
tba
08:30 - 09:15 Frank Neese
University of Bonn, Germany
"Catalysis with Iron - How does nature do it?"
09:15 - 10:00 Sven Lidin
University of Stockholm, Sweden
"Complex Intermetallic Thermoelectrics"
10:00 - 10:30 Gerhard Venter
University of Cape Town, South Africa
"Dative Bonds with a Dual Nature"
.
10:30 - 11:00 Coffee/Tea
Session 7
Chairperson:
tba
11:00 - 11:45 Peter Comba
Universität Heidelberg, Anorganisch-Chemisches Institut, Heidelberg, Germany
"Magnetic properties of oligonuclear cyanometalates - Syntheses, magnetism and theory"
11:45 - 12:15 Sine Larsen
University of Copenhagen, Denmark
"Interactions between chiral molecules; What can we learn from accurate X-ray diffraction data?"
12:15 - 12:45 Catharine Esterhuysen
University of Stellenbosch, South Africa
"Sorption and thermodynamic properties of p-tert-butylcalix[4]arene"
12:45 - 13:00 All delegates assemble for group photographs
.
13:00 - 14:00 Lunch
.
14:00 - 18:30
Sightseeing (game viewing) drive in the Park

18:30 - 19:30 Dinner
Session 8
Chairperson:
tba
19:30 - 20:15 Lee Brammer
University of Sheffield, UK
"Reactions of non-porous crystals with gases leading to changes in covalent bonding of coordination compounds"
20:15 - 21:00 Gus Hart
Brigham Young University, USA
"Finding Nature's missing structures: using combinatorial techniques and first principles calculations to find new structures"
21:00 - 21:30 John Brady
Cornell University, USA
"Combined Neutron Diffraction and MD Simulation Studies of Structures in Aqueous Solutions"

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Thursday 3 September
06:00 - 07:30 Sightseeing (Game viewing) drive in the Park
07:30 - 08:30 Breakfast
Session 9
Chairperson:
tba
08:30 - 09:15 Jan Boeyens
University of Pretoria, South Africa
"Molecular shape as emergent property"
09:15 - 10:00 Graeme Hanson
University of Queensland, Australia
"Multifrequency EPR Spectroscopy: A Toolkit for the Characterisation of Mono- and Dinuclear Metal Ion Centres in Complex Biological Systems"
10:00 - 10:30 Mark Elsegood
Loughborough University, UK
"Structure function relationships in acene molecules used in organic electronic devices"
10:30 - 11:00 André Roodt
University of the Freestate, South Africa
"Structure and Reactivity Relationships Utilizing Phosphine Ligands"
.
11:00 - 11:30 Coffee/Tea
Session 10
Chairperson:
tba
11:15 - 12:00 Susan Bourne
University of Cape Town, South Africa
"Solid state phase transformations in crystalline salts"
12:00 - 12:30 Dave Billing
University of the Witwatersrand, South Africa
"Structure Property correlations in hybrid perovskites"
12:30 - 13:00 Klaus Koch
University of Stellenbosch, South Africa
"What´s in the 195Pt chemical shift of simple platinum complexes"
.
13:00 - 14:00 Lunch
Session 11
Chairperson:
tba
14:00 - 14:30 Simona Irrera
Sapienza University of Rome, Italy
"Molecular modeling of 5-formyluracil crystal tautomers by Carr-Parrinello and Force Field methods"
14:30 - 15:00 Demi Levendis
University of the Witwatersrand, South Africa
"Emerging crystal forms of y-amino acid analogues"
.
15:00 - Closing Ceremony
17:00 Farewell function

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Friday 4 September
07:00 - 08:30 Breakfast
09:00 Busses leave for Johannesburg Airport

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Poster presentations

N B Báthori, S A Bourne
University of Cape Town, South Africa
"Inclusion Compounds of Organic / Inorganic Chiral Diol Hosts"


K S Birtels, H M Marques, A S de Sousa
University of the Witwatersrand, South Africa
"Synthesis and Characterization of Metallo-β-Aminoalcohol Complexes"


H N Bomba, D G Billing
University of the Witwatersrand, South Africa
"Organic Inorganic Hybrid Material Containing Simple Unsaturated Amines"


D Das, T Jacobs and L J Barbour
Stellenbosch University, South Africa
"Exceptionally Large Negative and Positive Thermal Expansion of an Organic Crystal"


K Davies, S A Bourne and C L Oliver
University of Cape Town, South Africa
"Two Zinc-Trimesic Acid Metal-Organic Frameworks"


S Gildenhuys, M Dobreva, N Kinsley, Y Sayed, J Burke, S Pelly, G Gordon, MSayed, T Sewell and H W Dirr
University of the Witwatersrand, South Africa
"Role of a Conserved Arginine Residue in the Function of Human Glutathione Transferase A1-1: A Crystallographic, Spectroscopic, Thermodynamic and Molecular Modeling Study"


R L Eoff, V E Marquez, F P Guengerich and M Egli
Vanderbilt University, USA
"Selective Modulation of DNA Polymerase Activity by Fixed-Conformation Nucleoside Analogues"


R L Eoff, A Irimia, F P Guengerich and M Egli
Vanderbilt University, USA
"Structure and Activity of Human DNA Polymerase-Kappa Bypass of 7,8-Dihydro-8-Oxo-2'-Deoxyguanosine"


D C Levendis, C Gamble, A Shaikjee
University of the Witwatersrand, South Africa
"Complex Salts of Gabapentin with Biologically Important Metals"


J A Odendal, J C Bruce, K R Koch and D A Haynes
Stellenbosch University, South Africa
"Intermolecular Interaction Motifs in Organic Ammonium Carboxylate Salts"


M Kerscher
Universität Heidelberg, Germany
"Very Rigid and Highly Preorganized Tetraazamacrocyclic Ligands and their Copper(II) Complexes"


A Kleyn, D Das and L J Barbour
University of the Freestate, South Africa
"Inclusion chemistry of a novel hexa-host: A conformational study"


M Landman, D I Bezuidenhout, W Barnard, D C Liles, S Lotz
University of Pretoria, South Africa
"A Theoretical Investigation Of Fischer Carbene Metal Clusters"


D Loginov
Petrozavodsk State University, Russia
"X-Ray Study of Carbon Nanomaterials"


K Manoj, M A Fernandes, D C Levendis and B N Makhura
University of the Witwatersrand, South Africa
"Non-covalent Interactions in the Molecular and Conformational Modification of DPE Co-crystals"


E Marfo-Owusu, K Okuyama, K Noguchi
University of Nizwa, Sultanate of Oman
"Supramolecular Systems of Non-Chiral Surfactant Molecules with (R)-(+)-1,1'-Bi-2-naphthol and Rac-1,1'-Bi-2-naphthol "


K Mattukat, D G Billing
University of the Witwatersrand, South Africa
"Synthesis and Characterization of Aliphatic Hybrid Nanocomposites"


U Mgwetyana, A F Mulaba-Bafubiandi and X Y Mbianda
University of Johannesburg, South Africa
"Synthesis, Characterization and Application of Double-walled carbon nanotubes (DWCNTs) in the recovery of base metals (Cu, Ni, Co)"


V S Minkov, V A Drebushchak, E V Boldyreva
University of Novosibirsk, Russia
"The Smaller are Particles, the Longer is the Storage. Size-Effect in DL-Cysteine"


O Q Munro, W W Suo, M Akerman and S Strydom
University of KwaZulu-Natal, South Africa
"Supramolecular Chemistry of Pyrrole-Imines"


C L Oliver and L J Barbour
University of Cape Town, South Africa
"Variation in the Supramolecular Assembly of the Molecular Container p-Sulfonatocalix[4]arene, a Well-Known Supramolecular Building Block"


K Padayachy, H M Marques, A S de Sousa
University of the Witwatersrand, South Africa
"Layered Inclusion of Anions in Aminoalcohols"


G Portalone
University of Rome 'Sapienza', Italy
"Self-assembly of substituted benzoic acids with benzamidine"


M Rademeyer and B van der Westhuizen
University of Pretoria, South Africa
"Non-covalent interactions and anion recognition in carboxyalkylammonium salts"


M K Rayner, N J Coville and D G Billing
University of the Witwatersrand, South Africa
"Fe/TiO2 Fischer-Tropsch Catalysts: X-Ray Diffraction Studies under Non-Ambient Temperatures and Pressures"


M Steyn, H G Visser and A Roodt
University of the Freestate, South Africa
"Mechanistic Study of Oxine Coordination at Zirconium(IV)"


N A Tumanov, E V Boldyreva, A Kurnosov, N Casati
Novosibirsk State University, Russia
"X-ray diffraction and Raman spectroscopy study of L-alanine and DL-alanine at high pressure"


P H Van Rooyen, N F Brennan, S Lotz, D C Liles
University of Pretoria, South Africa
"The Substitution of N and P Bidentate Ligands in [CrCl3(THF)3]"


G A Venter
University of Cape Town, South Africa
"In Silico Properties of Alkylammonium Alkylborate Ionic Liquids"


V L Vieira
University of the Witwatersrand, South Africa
"Is there a correlation between species in solution and in the solid state?"


J A Viljoen, H G Visser and A Roodt
University of the Freestate, South Africa
"Stepwise bidentate ligand coordination at Hafnium(IV)"


C F Zipp, M A Fernandes, J P Michael and S Travis
University of the Witwatersrand, South Africa
"Structural and Thermal Studies on Symmetric and Asymmetric Imides Containing Cycloalkyl Rings"


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Poster Prize

A prize of R1500 sponsored by the Royal Society of Chemistry will be awarded for the best poster presented by a Student or Young Scientist (i.e. a scientist under the age of 35).


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Presentation facilities

Oral Presentations: Notebook PCs, data projectors, overhead projectors, screens and write-on boards will be available for the oral presentations. MS Office (Powerpoint) and Corel WordPerfect Office (Presentations) running under MS Windows 2000 / XP will be available on the notebook PCs. It may be possible to make other software available on request.

Owing to the somewhat isolated venue of the workshop, it may be difficult to correct problems once on site. Therefore I request that any speakers who intend to use an electronic presentation (eg. Powerpoint or Presentations) e-mail a copy of the presentation to me, Dave Liles ( ), a week or more before the workshop, so that I can ensure that the file is intact and runs properly with our equipment and software. Our mail system can handle files upto 8 to 9 Mb in size. If necessary, a compressed file (eg .zip) can be sent. I recommend that speakers do this, as a precaution against disaster, even if they intend bringing their own notebook PCs. [Please note: We wish to discourage speakers from using their own notebook PCs, etc. as we will be running on a very tight schedule owing to the large number of talks to be fitted in and swapping equipement between talks can waste a considerable amount of time.] Speakers should also bring a copy of the presentation with them on disk (eg CD-R or USB Flash Drive). I will e-mail a reminder of this to all speakers closer to the time.

Speakers are requested to strictly adhere to the prescribed time limits for their presentations (45 or 30 minutes)and should allow time for questions (ca 5 minutes) within those limits.


Poster Presentations: There are no strict limits to the dimensions of the posters. The dimensions should, however, be kept within reasonable limits! (As a guide: a maximum of ca 1 m wide by 1.5 m high.)

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 Home   Venue   History   Invited Speakers   Call for Papers   Travel   Workshop Fees   Registration 

 Target Dates   Sponsors   General   Committees 
 Indaba5 Pictures   Links   Other Meetings 

This page was last updated 31 07 2009.  
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