Conveners
PCCr2: Biocrystallography : Block 2a
- There are no conveners in this block
PCCr2: Molecular Crystals : Block 3a
- There are no conveners in this block
PCCr2: PCCr2
- There are no conveners in this block
PCCr2: Crystal Engineering : Block 6a
- There are no conveners in this block
PCCr2: Crystal Physics / Growth : Block 7a
- There are no conveners in this block
PCCr2: Diffraction Physics and Phase transitions
- There are no conveners in this block
PCCr2: Inorganic Materials : Block 10b
- F Porcher ()
Silvia Onesti
(N/A)
29/01/2019, 11:00
PCCr2
Oral Presentations
Structural biology @Elettra: an integrated approach to DNA replication and repair
Prof.
Wolf-Dieter Schubert
(University of Pretoria)
29/01/2019, 11:20
PCCr2
Oral Presentations
Virulence factors of Listeria monocytogenes and their host receptor interactions
Dr
Michael Lawrence
(Walter and Eliza Hall Inst of Med Res)
29/01/2019, 11:40
PCCr2
Oral Presentations
Certain fish-hunting cone snails produce venoms that contain insulins. These venom insulins facilitate the capture of prey by the rapid induction of hypoglycemic shock. We have studied one such insulin, Conus geographus G1 (Con-Ins G1), the smallest known insulin in nature. In particular, Con-Ins G1 lacks the C-terminal segment of the canonical B chain that in human insulin mediates both...
Dr
Emmanuel Nji
(Centre for Biomembrane Research, Department of Biochemistry and Biophysics, Stockholm)
29/01/2019, 12:00
PCCr2
Oral Presentations
Membrane protein crystals grown by in meso or the lipidic cubic phase (LCP) method generally produce higher resolution structures, as they have a lower solvent content (type I crystals) than those grown by traditional vapour-diffusion crystallization (type II crystals). To grow LCP crystals of membrane proteins with the synthetic lipid monoolein, the purified membrane protein solution is mixed...
Prof.
Menico Rizzi
(Università Piemonte Orientale)
29/01/2019, 12:40
PCCr2
Oral Presentations
The more than a century years old NAD(P)H still triggers a wealth of investigations that mainly focus on its role in signalling and aim to develop novel drugs that interfere with specific aspects of such a process in different pathological conditions. However, the cofactor plays a key, essential and long studied role as a redox molecule in central metabolism, a source of robust drug targets...
Dr
Pierre Fertey
(SOLEIL)
29/01/2019, 14:00
PCCr2
Oral Presentations
X-ray scattering is well known as a powerful and relevant technique to probe the structural properties of matter. While X-ray diffraction techniques are widely used in laboratories, the specifics of the synchrotron light make it a valuable tool for the most difficult cases. For examples, the high brightness of the source allows the study of very small single crystals or/and with low...
Bendeif EL-Eulmi
(Université de Lorraine)
29/01/2019, 14:30
PCCr2
Oral Presentations
The confined functional molecular nanomaterials have attracted considerable interest owing to their potential applications in various domains: catalysis, optics, medicine [1-3]. It is therefore essential to
study the structural organization of such nanomaterials. We will show in this contribution that detailed structural information can be obtained by using an appropriate multiscale approach...
Ariste Bolivard Voufack
(Université de Lorraine, Vandœuvre-lès-Nancy, France)
29/01/2019, 15:00
PCCr2
Oral Presentations
The study and the understanding of both physical and chemical properties of
inorganic materials remain a perpetual challenge. In the present work, the modelling
of charge densities of both paramagnetic and ferromagnetic perovskite structure of
YTiO 3 is undertaken. The structural analysis of this inorganic compound in these two
magnetic phases showed that the shape of Ti octahedron is...
Dr
Jason Benedict
(University of Buffalo)
29/01/2019, 15:15
PCCr2
Oral Presentations
Atoms in Motion: Creating and Characterizing Dynamic Crystalline Materials
Dr
Ebenezer Annan
(Department of Materials Science and Engineering, University of Ghana)
29/01/2019, 15:45
PCCr2
Oral Presentations
The role of X-ray analysis of magic balls for fluoride removal”
Emmanuel Nyankson
(Department of Materials Science and Metallurgy, University of Cambridge, UK)
29/01/2019, 16:30
PCCr2
Oral Presentations
The accidental release of crude oil and water-soluble dyes into our marine environment is a
major concern of the environmental protection agency of most countries worldwide. Different
materials are therefore being developed and investigated for their potential application in
remediating these pollutants. Semiconductor based photocatalysts have been examined for their
potential in solving...
Dr
K. Abdel-Aal Seham
(Cairo University)
29/01/2019, 16:45
PCCr2
Oral Presentations
Crystal, electronic structure, optical and electrical studies of new 2D hybrid perovskite promising for photovoltaic applications
Dr
Nangah Che Randy
(University of Yaounde, Cameroon)
29/01/2019, 17:00
PCCr2
Oral Presentations
More people die globally from consuming polluted water than are killed by all forms of violence including wars [1,2]. In Cameroon, water crisis has driven the population to consuming water from sources that have a high-risk potential for infection [3], resulting to the insurgence of cholera outbreaks (657 deaths) [4], and increased occurrence of typhoid and diarrhoea. This paper delineates the...
Dr
Olufunso Abosede
(Federal University Otuoke, Nigeria)
29/01/2019, 17:15
PCCr2
Oral Presentations
Cocrystals and Metal Complexes: Synthesis, Structural Elucidation and Applications
Dr
N Demoze
(Unkown)
29/01/2019, 17:30
PCCr2
Oral Presentations
Synthesis, characterization and thermoelectric properties of polymer blend Bi22.5Sb7.5Te70 composite
Dr
M Bediako
(Unknown)
29/01/2019, 17:45
PCCr2
Oral Presentations
How Crystallography can Influence the Sustainability of Cement-based products
Alessia Bacchi
(N/A)
30/01/2019, 10:30
PCCr2
Oral Presentations
We present a systematic way to embed liquid or volatile molecules inside crystalline materials in order to tune tuning their delivery for medicine or agrochemistry. Liquid or volatile formulations of active pharmaceutical ingredients (APIs) are intrinsically less stable and durable than solid forms. In fact most drugs and agrochemicals are manufactured and distributed as crystalline materials,...
A Cruz-Cabez
(N/A)
30/01/2019, 10:55
PCCr2
Oral Presentations
This contribution highlights some recent work on polymorphism in molecular crystals. First, we review the concept of conformational polymorphism [1] and its occurrence in drug compounds [2]. Conformational polymorphs may differ in properties more significantly than packing polymorphs thus they are of special interest in the pharmaceutical industry.
Second we study the crystallisation...
Dr
Abodou Jules Tenon
(University Félix Houphouët-Boigny)
30/01/2019, 11:20
PCCr2
Oral Presentations
First and foremost, I would like to express my infinite gratitude to IUCr, UNESCO and
BRUKER for equipping the Abidjan center with a single-crystal diffractometer and a powder
diffractometer. These thanks also go to Professor Claude LECOMTE for his great involvement
in obtaining this material. It should be recalled that the inauguration of this center took place on
March 22 and 23, 2018...
Dr
Christelle Dzesse Tekouo
(University of Buea, Department of Chemistry)
30/01/2019, 11:45
PCCr2
Oral Presentations
Metal-organic frameworks (MOFs) are an emerging class of crystalline materials made by connecting a metal ion or cluster to polytypic organic linkers. They have a wide range of potential applications in gas storage, catalysis, drug delivery, sensing, separation, and magnetism.3,4
Single crystal to single crystal (SC-SC) transformation is a phenomenon where significant changes in the crystal...
Dominik Schaniel
(Université de Lorraine, CNRS, CRM2, Nancy, France)
30/01/2019, 12:00
PCCr2
Oral Presentations
In the last few years we have studied a number of complexes containing the photoswitchable
ligands NO and NO2 [1-4]. On the examples of [RuX(NO)2(PR3)2]BF4 (PR3 = PPh3, PCyp3,
Pcy3; X=Cl, Br, I) and [Rh(NO)(NO2)2(But
2PH)2] we will demonstrate how the combination of
photocrystallography and infrared spectroscopy allows for structural characterization of the
photoinduced linkage isomers...
Mamoudou Diallo
(LCPM―Groupe ‘’Matériaux Inorganiques: Chimie Douce et Cristallographie’’, Université Assane Seck de Ziguinchor, BP 523 Ziguinchor, Sénégal)
30/01/2019, 12:15
PCCr2
Oral Presentations
Knowledge about molecular materials structures combined with chemical crystallography concepts has always helped the chemist to understand the solid formation from some entities
and consequently stirred his imagination for the construction of new varying combinations. However, the growth of a pure, well-shaped and sufficient size single crystal remains a challenge. The study of materials with...
Suzanna Ward
(The Cambridge Crystallographic Data Centre, Cambridge, UK)
30/01/2019, 14:00
PCCr2
Oral Presentations
Crystallography is extremely powerful in research and education for two key reasons. Firstly, it
is often described as the ‘gold standard’ characterization technique because it can provide
definitive proof of the structure of chemical compounds. Secondly, the crystallographic
community itself is remarkable in terms of exemplary data sharing practices which have allowed
scientists worldwide...
Amy A Sarjeant
(The Cambridge Crystallographic Data Centre, Princeton NJ, USA)
30/01/2019, 14:30
PCCr2
Oral Presentations
For over 50 years, the Cambridge Crystallographic Data Centre (CCDC) has been curating the
world’s small molecule crystal structures into the Cambridge Structural Database (CSD). This
collection has grown steadily through the years and is now poised to reach 1 million structures.
Far more than just a collection of crystal structures, the data in the CSD provide the fuel that
drives...
Dr
Tom Blanton
(International Centre for Diffraction Data)
30/01/2019, 15:00
PCCr2
Oral Presentations
Advanced Materials Characterization Using Powder Diffraction Techniques and the Powder Diffraction File
Abdelkrim RACHEDI
(Department of Biology, Faculty of Sciences, Saida University)
30/01/2019, 15:20
PCCr2
Oral Presentations
Available online at the link: http://www.bioinformaticstools.org/stad/ (main web-site), STAD is a database that annotates and stores information pertaining to structural targets (mainly proteins selected for 3d-structure and function elucidation) understudy at laboratories in a number of Algerian, Moroccan and South African institutes; refer to Targets Contributing Member Institutes page:...
Samuel Tetteh,
(1 Department of Chemistry, School of Physical Sciences, College of Agriculture and Natural Sciences, University of Cape Coast, Cape Coast, Ghana)
30/01/2019, 15:40
PCCr2
Oral Presentations
Dioxygen, a readily available raw material for most oxidation processes, has been the
focus of research in inorganic chemistry, material science and catalysis in recent times. The
molecule undergoes multielectron reduction reactions and is used in proton exchange membrane
(PEM) fuel cell to generate electrical energy. Triplet oxygen is also used in combination with
photosensitizers and...
Ibrahima Elhadji THIAM
(Department of Chemistry, University Cheikh Anta Diop, Dakar, Senegal)
30/01/2019, 16:30
PCCr2
Oral Presentations
The very dynamic field of research for the design and synthesis of heteropolynuclear
complexes of d and f-block elements has made it possible to generate original structures with
interesting properties in various fields such as magnetism, optics, catalysis and luminescence.
The present investigation describes the synthesis and structural study of two complexes.
The complex 1 is a...
Dr
Tumaini Mkwizu
(University of the Witwatersrand)
30/01/2019, 16:45
PCCr2
Oral Presentations
The interconnection between structural and charge–transport properties of crystalline oxide systems, particularly, towards their potential applications in solid oxide fuel cells (SOFCs) and solid oxide electrolysis cells (SOECs) and related energy conversion devices, is increasingly becoming important in the 21st century as the global requirements for sustainable and technologically efficient...
Dr
Tomchick Tomchick
(UT Southwestern Medical Center, USA)
30/01/2019, 17:00
PCCr2
Oral Presentations
Trypanosoma brucei is a neglected tropical disease endemic to Africa. We structurally characterize enzymes in biosynthetic pathways of trypanosomatids to potentially exploit them as targets for development of anti-proliferative agents. The polyamine spermidine is essential for post-translational hypusine modification of eukaryotic initiation factor 5A (eIF5A), which is catalyzed by...
Jacky S Boudiombo
(Department of Chemistry, University of Cape Town, Private Bag, Rondebosch 7701, South Africa)
30/01/2019, 17:20
PCCr2
Oral Presentations
Molecular selectivity by host-guest procedures is an increasing method to help in the separation of
enantiomers. In this study, two similar bile acids, cholic acid (CA) and deoxycholic acid (DCA), were
used as hosts to separate the mixtures of several isomer guests. The different compounds prepared
were analyzed by single crystal X-Ray diffraction. Our first guest mixtures were the isomers...
Koffi Charles Kouman
(Laboratoire de Physique Fondamentale et Appliquée)
30/01/2019, 17:40
PCCr2
Oral Presentations
We have carried out a computational structure-based design of new potent N-
Benzyl-4-((heteroaryl)methyl)benzamides(BHMB) inhibitors of enoyl-acyl carrier protein
reductase (InhA) of Mycobacterium tuberculosis (MTb). Three-dimensional (3D) models of
InhA-BHMBx complexes were prepared by in situ modification of the crystal structure of
InhA-BHMB1 (Protein Data Bank (PDB) entry code:...
Dr
Michele Zema
(International Union of Crystallography)
31/01/2019, 10:30
PCCr2
Oral Presentations
Multi analyses on inorganic materials
Michelle Sibonokuhle Nyoni
(School of Chemistry, University of Witwatersrand, South Africa)
31/01/2019, 11:00
PCCr2
Oral Presentations
Significant energy demand, especially on the African continent, has led to a need in the
development of cost-effective energy storage devices with high performance. Lithium-
ion batteries have been studied and used extensively due to lithium having one of the
smallest ionic radii and the most negative reduction potential, being lightweight and
being able to achieve a greater energy density...
Adam BOURAIMA
(Mohammed V University, Chemistry department, Rabat, Morocco)
31/01/2019, 11:15
PCCr2
Oral Presentations
The new silver-, cobalt- and iron-based phosphate, silver cobalt iron tris(orthophosphate),
Ag 1.655 Co 1.64 Fe 1.36 (PO 4 ) 3 , was synthesized by solid-state reactions. Its structure is isotypic to that
of Na 2 Co 2 Fe(PO 4 ) 3 , and belongs to the alluaudite family, with a partial cationic disorder, the
Ag I atoms being located on an inversion centre and twofold rotation axis sites...
Gilberto Artioli
(Università di Padova, Dipartimento di Geoscienze, Padova, Italy)
31/01/2019, 11:30
PCCr2
Oral Presentations
Modern trends in frontier materials science are commonly related to finding and characterizing
suitable materials for advanced and innovative technological applications. However, even in the
field of materials that are commonly considered “low-tech” such as construction materials and
binders, there are a number of open, timely, and rather challenging issues to be confronted. Possibly
the...
Moustapha SAWADOGO
(Université Ouaga)
31/01/2019, 12:00
PCCr2
Oral Presentations
The purpose of this work is to study the influence of the nature of the grog and the binder on the properties of refractory bricks worked out through clays from Burkina Faso. Then,
two natural clays and sand were characterized to work out refractory bricks. The characterization by Chemical analysis and X-ray diffraction indicates that these clays, called SAB and TIK, present the same mineral...
Dr
Lébé Prisca
(Felix Houphouët-Boigny University, Ivory Coast)
31/01/2019, 12:15
PCCr2
Oral Presentations
Clays and bricks
