Scientific Program

Conference Series LLC Ltd invites all the participants across the globe to attend 3rd International Conference on Applied Crystallography Atlanta, Georgia, USA.

Past Conferences Report

Day 2 :

  • Materials Science & Engineering| Nanotechnology in Materials Science| Batteries and Energy Materials| Advanced Crystallography| Crystallography in Biology| Crystallography in Materials Science
Speaker

Chair

Gen Long

St. John’s University, USA

Speaker
Biography:

Ramesh Iyer has completed his PhD from the University of Kentucky (Lexington, KY) and Postdoctoral studies from the University of Georgia (Athens, GA). He is a Sr Scientist in the Global Biologics group at AbbVie Inc. His group supports the research and development of biologics for various therapeutic areas within AbbVie Discovery.

Abstract:

Fragments, such as F(ab) and F(ab’)2, and fragment complexes are widely required for various research and development activities in biopharmaceutical discovery. We describe the production of fragments (F(ab) and F(ab’)2) from a variety of parent molecules (monoclonal antibody and DVD-Ig) and frameworks (m IgG1, mIgG2a, hu IgG1, hu IgG4) by transient expression in HEK293 cells.The method eliminates the need to use enzyme digestion of parent molecules. We have also developed a route for the production of fragment/antigen complexes by direct co-expression in HEK293 for crystallization purpose that allows for higher throughput screening of Fab and/or antigen constructs. The resulting products were characterized by biophysical techniques, and crystallization experiments demonstrated that the fragments and fragment/antigen complexes produced diffraction quality crystals suitable for X-ray crystallographic analysis.

Gen Long

St. John’s University, USA

Title: XRD and nanostructures based third generation solar cell

Time : 12:05-12:30

Speaker
Biography:

Gen Long received his BS in Physics from Shandong University, China and his PhD in Physics from University at Buffalo. He worked in Global Foundries (US) as senior integration engineer on 14nm FinFET technology before joined St John’s University as Assistant Professor in Physics. His research area mainly focuses on the synthesis, characterization and device applications of novel metal and semiconductor nanostructures (nanoparticles, nanowires, nanorods, nanodisks, nanoplatelets, etc. made by solution-phase or gas-phase growth). He is an active member of APS, MRS, and AAPT.

Abstract:

Nanostructures based third generation solar cell presents a promising future of inexpensive, highly-efficient, and scalable new generation of solar cell industry. Various nanostructures, materials systems, and device architecture have been extensively studied; yet in all of the advantages and disadvantages co-exist. XRD, as a characterization tool, provides unique insight into the materials compositions, device, and device performance and stability, etc. In this talk, an overview of the recent progress in nanostructures based third generation solar cell will be given. Different approaches to overcome the limits in the nanostructures based solar cell will be discussed as well.

 

Lance Hubbard

Pacific Northwest National Laboratory, USA

Title: Rugged nanoparticle tracers for mass tracking in explosive events

Time : 12:30-12:55

Speaker
Biography:

Lance Hubbard has completed his PhD in Chemical Engineering from the University of Arizona. He is currently a staff materials scientist at Pacific Northwest National Laboratory focusing on nanomaterial integration, and semiconductor-based detector design. He has papers and patents related to nanomaterials integration into semiconductor processes, corrosion of ceramics under monatomic oxygen, electroless deposition of metals, and Raman/radio interference based spectroscopy for industrial process control. Current research includes studies on nanoparticles for mass tracking, production modeling of uranium fuel foils, and AlGaN avalanche photodiode structures.

Abstract:

Tracing the flow of solid matter during explosions requires elements with uniquely identifiable signatures. Pigments tagged with luminescent core-shell nanoparticles (CSNPs) can have tunable photoluminescence (PL) depending on the material composition and core/shell thicknesses. The particles can be ruggedized with thick silica encapsulate to protect the luminescent inner architecture during finite periods of elevated temperatures. Incorporation of the CSNPs into a matrix allows for identification (ID) of debris originating from the tagged material. Five types of zinc sulfide quantum dots were synthesized and isolated in silica shells. The shelled dots were molecularly bound to five commercially obtained luminescent powders. The combination of 5 dots and 5 powders enables a matrix of 25 unique pigments that can be applied for mass tracking and model confirmation. The 25 pigments have spectral components that luminesce under different wavelengths. The use of commercial pigments enables field identification for collection and CSNPs allow for laboratory confirmation of the origin of the mass. The bound powders and luminescent CSNPs were suspended in a hydrated silica gel pending incorporation into materials. Finally, the mass tracking pigments were incorporated into temperature resistance paints, synthetic stone, and controlled porous glass. The incorporation of temperature resistant CSNPs and commercial pigments has enabled unique identifiers, which allow for the tracking of mass through explosive events and other inaccessible environments. 

Break: Lunch Break 12:55-13:55 @ Foyer

Victor Ovcharenko

International Tomography Center, Russia

Title: Heterospin crystal: New sensor to the external pressure

Time : 13:55-14:20

Speaker
Biography:

Victor Ovcharenko has his expertise in the design of molecular magnets and investigation of spin transitions, “breathing crystals” and magneto-structural correlations in heterospin compounds. He developed new methods of selective synthesis of highly dimensional heterospin systems based on metal complexes with stable organic radicals, investigated magneto-structural correlations inherent in heterospin compounds, created a new type of breathing crystals and explained the mechanical activity of these crystals (breathing crystals, jumping crystals, dancing crystals).

Abstract:

Stable organic radicals are valuable tools for solving a wide variety of fundamental problems. Among these, nitroxides are the most persistent organic paramagnets which widely used in the synthesis of heterospin compounds. Reactions between the transition metal and nitroxides are convenient and effective methods for the synthesis of different multispin molecules. The sensitivity of their magnetic properties to the local environment and intramolecular effects, as well as long half-lives, make them attractive tools in various fields, especially in molecular magnetism, biochemistry, biophysics, and materials science. They are promising as contrast agents for magnetic resonance imaging. They have always attracted the attention of researchers as multispin building blocks, which were used for the synthesis of heterospin molecular magnets. Recently, Cu(II) complexes with nitroxides were used to create breathing crystals. When the temperature or/and pressure changes, the solid compounds undergo structural rearrangements accompanied by magnetic effects similar to spin crossover. The observed anomalies are caused by the reversible spatial dynamics of Jahn-Teller coordination units containing heterospin exchange clusters. The high mechanical stability of the multispin crystals, i.e., their ability to be reversibly compressed and expanded in the temperature range of phase transition, underlies the term ‘breathing crystals’. Reversible single crystal to single crystal polymerization–depolymerization coordination reactions for a transition metal complexes with stable organic radicals initiated by variation of temperature was found too. It was found that transition metal complexes with kinetically stable nitroxides are promising compounds that can serve as a new type of highly sensitive sensor to the external pressure. Noteworthy, structural rearrangements in breathing crystals can be essentially different. It depends on which parameter i.e. temperature or pressure was changed.

Speaker
Biography:

James Kennedy has spent nearly 10 years working on this issue at the federal and international level. He was an invited expert speaker at the United Nations IAEA conference, the European Union rare earth conference and has had meetings with the current and previous Administration, the Pentagon and the House and Senate Armed Services Committees. His proposal is currently under consideration with the current Administration. He earned a Master’s degree in Political Economics and Public Policy from Washington University, St. Louis.

Abstract:

The United States, Japan, Korea, the EU and the rest of the world have found themselves entirely dependent on China for rare earth. The Chinese global rare earth monopoly dominates at all levels, from resource production to metallurgy, to new applications, to new patent applications. With China dominating the production and internal consumption of at least 85% of all value-added rare earth materials, in a politically saturated environment of material science and techno-economic leadership, it will continue to lead the world in future material science developments. The non-Chinese world’s contribution to rare earth-related material science developments will shrink in China’s rear view mirror. Non-Chinese efforts to compete in the production of rare earth resources have mostly ended badly. Resources like rare earth oxides have no meaningful technology or defense application. China dominates the world in resource, oxide and post-oxide materials production. China has used its multi-level monopoly to capture much of the world’s rare earth dependent technology and industry. This is a significant problem because advances in material science are largely stimulated by the competitive economic pull of a vibrant technology sector. Today most of the world’s advanced rare earth technology applications happen in China. How does the non-Chinese world compete with this state-sponsored juggernaut? The current administration is considering the establishment of a multi-national rare earth resource and value chain that could act as a modern Bell Laboratory for its non-Chinese members. The proposal calls for a privately owned and operated facility that would act as a cooperative for all of its owner/end-users: diverse technology companies from around the world. The cooperative would utilize rare earth resources that are currently mined but disposed of to avoid the 1980 NRC & IAEA regulations which helped create China’s monopoly and would be impervious to Chinese price manipulation.

Speaker
Biography:

She completed her PhD in 1994 from the Weizmann Institute of Science, Israel under the supervision of Prof Joel Sussman and postdoctoral studies from the University of California Los Angeles, under the supervision of Prof David Eisenberg. Since 2003 she is the Crystallographer at the Structural Proteomics Unit (SPU), Weizmann Institute of Science, Israel. For the last 15 years she has been a member of the SPU where she lead the unit of protein crystallography which include protein crystallization, elucidating the three-dimensional (3D) structure of proteins. She had determined the 3D structure of 350 proteins and protein complexes, some related to human disease, and others including engineered non-natural enzymes and non-natural protein complexes. Some has contributed to the development of drugs, while one has directly benefited enzyme replacement therapy for a human disease. In addition, she has carried out detailed structural analysis on many of these structures, which has greatly aided the understanding the correlation between 3D structure, function, selectivity and stability. She has published more than 50 papers in reputed journals, 10 of which as first author

Abstract:

The 3D structure of apo proteins and proteins with inhibitors provide the basis for structure-based drug design studies and is also utilized in docking procedures to search for more potent drug. Specific examples for drug design of acetyl cholinesterase (AChE) and Phosphotriesterase (PTE) using X-ray crystallography will be presented. Comparative analysis between the computational docking drug design approach and the AChE crystal structures reviled that the position of the ligands within the active-site gorge of the enzyme is influenced by the crystallization conditions. Spectroscopic evidence and thermal stability results supported such a difference in ligand positioning. These results have implications for structure-based drug design using docking procedures. We also analyzed nineteen crystal structures of the apo and several phosphonate (OP) analogs bound to few highly evolved PTE variants. In addition to providing insights into the binding modes of OPs into the active site of the different PTE variants, the data reveal the importance of tags used for protein expression, the ‘choice of the appropriate’ crystallization conditions, the protein constructs and the space groups and their implications for structure-based drug design

Speaker
Biography:

The presenting author is research professor at the Republic Center for Structure Research of the Georgian Technical University, Georgia. She has a proven track record in the field of materials science and is well known in high temperature corrosion community. She has a very wide international working experience and longtime collaboration with the researchers in the materials field from Germany, France, United States and Spain. She has more than 50 publications and has been PI of many national and international scientific research projects already accomplished or ongoing. Dr.Tsurtsumia is an Alexander von Humboldt fellow and two fold Fulbright scholar

Abstract:

The state of the art steam power plants operated on fossil fuels as well as renewable power generating systems require the wide range of the parts and the unites made of the high temperature resistant materials. It is known that one of the possible ways of increasing the overall efficiency of the plants in the course of reduction in the emission of carbon containing pollutants in the atmosphere is the rising of working temperatures in some of their critical segments. This, in its turn, requires modernization and optimization of the already existing HT materials. P92 is a commercially available ferritic/martensitic 9% Cr steel which is widely used in the power plants at the temperatures up to 600 OC, meeting all crucial requirements from the mechanical- and corrosion resistance standpoints. But the foreseen increased operating temperatures in the future power plants are envisaged to be far beyond those P92 steel was designed for. Improvement of the high temperature oxidation resistance of this steel through the application of Al coating by slurry method was successfully accomplished. HT discontinuous oxidation tests were performed on slurry aluminized and uncoated P92 samples in the laboratory atmosphere for 3000 hours at 650OC and 750OC. In contrast to the uncoated P92, which is a chromia former material, TGO on slurry aluminized steel P92 was found to be alumina. The considerable decrease in the oxide growth rate was detected on the aluminized samples at both oxidation temperatures. The microstructure of the Al diffusion zone and that of the protective oxide scale developed during long term HT experiments was comprehensively studied from the top surfaces and cross sections of samples. For that the SEM/EDS, FIB (slicing tomography mode), XRD and EPMA methods were complexly utilized

Break: 15:35-15:55 @ Foyer
Speaker
Biography:

Juan Carlos Salcedo Reyes has completed his PhD at Cinvestav, México D.F., postdoctoral research at University of Texas at Dallas and Instituto de Ciencia de Materiales, Madrid, Spain. More than 30 scientific papers, 1 Colombian patent, and 1 US patent. Editor in chief, Universitas Scientiarum (Scientific journal of the faculty of sciences, Universidad Javeriana, Bogotá D.C., Colombia)

Abstract:

Colloidal crystals (CC) are self-assembled metamaterials with a periodic refractive index fabricated from colloidal SiO2 or polystyrene spheres. Lately, different structured porous films template by CCs are being used as substrates in Surface-Enhanced Raman Spectroscopy (SERS). Taking into account that, due to the localized surface plasmon resonance phenomenon, SERS substrates should satisfice conditions of nanoscale structure (porosity), periodicity and chemical stability, in this work, we use a thin film (50 nm) of gold sublimated on a 250 nm SiO2 based CC in order to detect changes of cellular biochemistry of stem cells by SERS

Break: Panel Discussion 16:20-16:30
  • Emerging technologies in materials science| Polymer Science and Technology| Materials Chemistry and Physics| Chemical Crystallography| Crystal Growth and Crystallization| X-ray Techniques in Crystallography and Applications
Speaker

Chair

Lance Hubbard

Pacific Northwest National Laboratory, USA

Session Introduction

Renal Backov

Massachusetts Institute of Technology, USA

Title: Inorganic, hybridized and living macrocellular foams:

Time : 16:30-16:55

Speaker
Biography:

Renal Backov obtained his PhD in 1997 at the University of Montpellier II, France. After being Associate Researcher at the University of Florida, to address inorganic chemistry, he was hired as Associated Professor at the University of Bordeaux in 2001 while being full Professor since 2010. He is currently invited Professor at the MIT. With more than 140 articles, 35 patents and 350 contributed papers, his field of research encompasses the domains of energy conversion (hydrogen storage, batteries, biofuel cells), drug delivery, sensors, heterogeneous catalysis (enzymatic, metallic, bacteriologic), photocatalysis, photonics, and beyond

Abstract:

We will show how when combining chemistry and the physical chemistry of complex fluids, we can trigger the design of highly efficient heterogeneous catalysts. We will thus focus the topic on 3D-macrocellular monolithic foams bearing hierarchical porosities and applications thereof toward heterogeneous catalysis where both activities and mass transport are enhanced. We will first depict the overall synthetic path, focusing on concentrated emulsions and lyotropic mesophases, acting as soft templates at various length scales. We will see how we can design cellular materials being either, inorganic, carbonaceous, hybridized or living ones where heterogeneous catalysis applications are addressed while considering respectively acidic, metallic, enzymatic or bacterial processes. Along, we will demonstrate how the fluid hydrodynamic, the low molecular hindrance and the easiest accessibility occurring within these foams are offering advanced "out of the box" heterogeneous catalysis whatever acting in batch, on-line or when dedicated toward cascade-type chemical reactions. Finally, we will depict the first CO2 photo-reduction process acting in volume and not on the surface anymore, enhancing electronic density, minimizing foot-print penalty as well as back-reactions.

Bruce S Hudson

Syracuse University, USA

Title: Polymorphic hydrogen bonded, disordered and photoreactive crystals

Time : 16:55-17:20

Speaker
Biography:

Bruce S Hudson received his Bachelor’s and Master’s degrees from the California Institute of Technology in Chemistry and Biophysical Chemistry respectively and his PhD in Physical Chemistry from Harvard University in 1972. His thesis research with Roy Gordon involved the computation of inelastic neutron scattering spectra and that with Bryan E Kohler involved the electronic spectroscopy of linear conjugated polyenes. He is the author of over 200 publications and has served on NIH and NSF review panels

Abstract:

Studies in hydrogen-bonded molecular crystal polymorphism will be presented with emphasis on the effect of replacement of the exchangeable H by D on the relative stability of polymorphic forms due the zero point and thermal vibrational effects, the use of periodic density function computations of crystalline state vibrations to understand the observed isotope effects and the use of spectroscopic methods, Raman and vibrational inelastic neutron scattering, to test the computations. The case of barbituric acid will be emphasized. In this case, it has been found that the most stable crystal is the monoenol rather than triketo despite the fact that the enol in isolation is much higher in energy (Angew. Chem. Int. Ed. 2016, 55, 1309 –1312 and cited work.) Urea channel inclusion host guest crystals (UIC’s) containing 1,4-diiodobutadiene as the guest is found (Cryst. Growth Des. 2013, 13, 3852−3855) to be commensurate and fully ordered, a rare but not unknown observation for this class of materials. The terminal iodine atoms are in contact in the channel. If these crystals are irradiated with UV light the iodine atoms are cleaved and oligo-diiodopolyenes are formed as indicated by Raman spectra. (Mater. Res. Soc. Symp. Proc. Vol. 1799 DOI: 10.1557/opl.2015.486). The crystal mass shows progressive loss of weight as the reaction proceeds. The product of this process will be polyacetylene. It has been anticipated that this material will be metallic without doping due to the lack of bond alternation. (J. Mol. Struct. 1032 (2013) 78–82). It may exhibit room temperature superconductivity

Filip Prusa

University of Chemistry and Technology Prague, Czech Republic

Title: Properties of mechanically alloyed Fe-Al-Si alloys compacted by spark plasma sintering

Time : 17:20-17:45

Speaker
Biography:

Filip Prusa has completed his PhD at the age of 30 years from University of Chemistry and Technology Prague. He is working at the Department of Metals and Corrosion Engineering as the assistant professor. He has published 64 papers in reputed journals and conference proceedings and has been serving as a reviewer for several journals

Abstract:

The Fe-Al-Si alloys are of interest due to their excellent properties including high hardness, strength, wear resistance and resistance against high-temperature oxidation. In many cases, the properties of such alloys are comparable or even outperforms the stainless steels or nickel super alloys. Since the chromium can be again considered as a critical raw material which shortage might influence a wide range of possible applications, the Fe-Al-Si-based alloys can be utilized as a viable substitution. The Fe80Al20Si20 (wt. %) alloys were prepared by mechanical alloying (MA) and compacted by spark plasma sintering (SPS) technique. The influence of either the conditions of MA and consequential compaction via SPS on the resulting microstructure, phase composition and mechanical properties was evaluated. For the mechanical alloying, the amount powder batch 5 or 20 g was tested in relation to the kinetics of phase’s formation as well onto the overall character of microstructure and mechanical properties. The compaction via SPS combined pre-loading prior to reaching compaction temperature and vice versa while current flow characteristic variations were also tested. Moreover, the high-temperature high-pressure compaction (HTHP) done at several orders of magnitude higher pressures of approximately 6 GPa was also tested. Based on the results, the proper conditions for mechanical alloying and consequential compaction were chosen to yield maxima of the materials.

Break: Panel Discussion 17:45-18:00
  • Materials Science & Engineering| Nanotechnology in Materials Science| Batteries and Energy Materials| Advanced Crystallography| Crystallography in Biology| Crystallography in Materials Science
Speaker

Chair

Dirk M Zajonc

La Jolla Institute for Allergy and Immunology, USA