Single atom imaging with time-resolved electron microscopy

Developments in scanning transmission electron microscopy (STEM) have opened up new possibilities for time-resolved imaging at the atomic scale. However, rapid imaging of single atom dynamics brings with it a new set of challenges, particularly regarding noise and the interaction between the electron beam and the specimen. This thesis develops a set of analytical tools for capturing atomic motion and analyzing the dynamic behaviour of materials at the atomic scale. Machine learning is increasingly playing an important role in the analysis of electron microscopy data. In this light, new unsupervised learning tools are developed here for noise removal under low-dose imaging conditions and for identifying the motion of surface atoms. The scope for real-time processing and analysis is also explored, which is of rising importance as electron microscopy datasets grow in size and complexity. These advances in image processing and analysis are combined with computational modelling to uncover new chemical and physical insights into the motion of atoms adsorbed onto surfaces. Of particular interest are systems for heterogeneous catalysis, where the catalytic activity can depend intimately on the atomic environment. The study of Cu atoms on a graphene oxide support reveals that the atoms undergo anomalous diffusion as a result of spatial and energetic disorder present in the substrate. The investigation is extended to examine the structure and stability of small Cu clusters on graphene oxide, with atomistic modelling used to understand the significant role played by the substrate. Finally, the analytical methods are used to study the surface reconstruction of silicon alongside the electron beam-induced motion of adatoms on the surface. Taken together, these studies demonstrate the materials insights that can be obtained with time-resolved STEM imaging, and highlight the importance of combining state-ofthe- art imaging with computational analysis and atomistic modelling to quantitatively characterize the behaviour of materials with atomic resolution.The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007–2013)/ERC grant agreement 291522–3DIMAGE, as well as from the European Union Seventh Framework Programme under Grant Agreement 312483-ESTEEM2 (Integrated Infrastructure Initiative -I3)

The polymorphic nature of amyloid assembly: Exploring fibril morphology and the structural relationship towards mechanical stability

The polymorphic nature of amyloid fibrils is important in the understanding of structural based relationships, such as a morphology influence on cytotoxicity and disease progression. The work reported here uses Atomic force microscopy (AFM) to enhance the understanding of fibril morphology in addition to the relationship between structure and stability towards breakage. A novel quantitative cluster analysis was developed here to identify the vast range of fibril morphologies present within a population. Using fibrils formed from three peptide sequences identified by the WALTZ algorithm, we have characterised the polymorphism displayed by each fibril population and provided structural models to predict the likely filament arrangements accessible to each. The range of fibril polymorphism also conveys mechanical differences, defined here by persistence length values for each respective population. These mechanical differences subsequently affect fibrils stability towards breakage, quantified here using AFM and subsequent image analysis. Additionally, using AFM, a structural comparison was performed between Sup35NM amyloid fibrils formed in vitro and those formed in situ using a synthetic biology approach with the Curli-dependent amyloid generator (C-DAG) in E. Coli. Structural similarities between fibrils formed using this system and those formed in vitro is of great value given the importance of a sequence-structure relationship. The work in this thesis expands on possible fibril morphologies and the related mechanical properties, which has implications in the understanding of disease enhancing structural motifs and the utilisation of amyloid fibrils in a biotechnology role

Pameran Reka Cipta, Penyelidikan dan Inovasi (PRPI) 2009

PRPI 2009 kini telah memasuki tahun penganjurannya yang ke-7. Pameran penyelidikan di UPM telah bermula sejak tahun 1997 semasa Exhibition & Seminar Harnessing for Industry Advantage. Pada tahun 2002, Pameran Reka Cipta dan Penyelidikan (PRP) buat pertama kali telah diadakan dengan menggunakan konsep pertandingan hasil projek penyelidikan yang telah dijalankan oleh para penyelidik UPM. Kejayaan penganjuran PRP 2002 telah merintis usaha untuk menjadikannya sebagai aktiviti tahunan UPM dan ianya terus berkembang sejajar dengan nama baharunya yang ditukar kepada Pameran Reka Cipta, Penyelidikan dan Inovasi yang bermula penganjurannya pada tahun 2005. Sebagai kesinambungan daripada kejayaan penganjuran PRPI 2006, 2007 dan 2008 yang lalu dan status UPM sebagai salah sebuah Universiti Penyelidikan, PRPI 2009 kali ini yang merupakan pameran penyelidikan yang terbesar di UPM terus dilaksanakan dengan aspirasi dan semangat yang lebih jitu. Pameran ini juga menjadi pelantar kepada para penyelidik untuk mengenengahkan hasil penyelidikan yang dijalankan dan penemuan baharu kepada umum. Di samping itu ianya juga menjadi penanda aras terhadap kualiti sesuatu projek penyelidikan bagi melayakkan para penyelidik UPM untuk menyertai pameran di peringkat kebangsaan dan seterusnya antarabangsa. Adalah diharapkan pelaksanaan PRPI 2009 ini akan dapat menyemarakkan budaya penyelidikan di kalangan staf dan juga pelajar UPM sekaligus menjadikan UPM sebagai Universiti Penyelidikan yang cemerlang di negara ini

Tenth European Powder Diffraction Conference – Geneva, September 1-4, 2006

Zeitschrift für Kristallographie. Supplement Volume 26 presents the complete Proceedings of all contributions to the X European Powder Diffraction Conference in Geneva 2006: Method Development and Application, Instrumental Software Development, Materials Supplement Series of Zeitschrift für Kristallographie publishes Proceedings and Abstracts of international conferences on the interdisciplinary field of crystallography

Scientific Advances in STEM: From Professor to Students

This book collects the publications of the special Topic Scientific advances in STEM: from Professor to students. The aim is to contribute to the advancement of the Science and Engineering fields and their impact on the industrial sector, which requires a multidisciplinary approach. University generates and transmits knowledge to serve society. Social demands continuously evolve, mainly because of cultural, scientific, and technological development. Researchers must contextualize the subjects they investigate to their application to the local industry and community organizations, frequently using a multidisciplinary point of view, to enhance the progress in a wide variety of fields (aeronautics, automotive, biomedical, electrical and renewable energy, communications, environmental, electronic components, etc.). Most investigations in the fields of science and engineering require the work of multidisciplinary teams, representing a stockpile of research projects in different stages (final year projects, master’s or doctoral studies). In this context, this Topic offers a framework for integrating interdisciplinary research, drawing together experimental and theoretical contributions in a wide variety of fields

Two dimensional infrared four wave mixing spectroscopy of simple molecules, peptides and proteins

In this thesis, measurements of electron-vibration-vibration two dimensional infrared (EVV 2DIR) spectra are demonstrated for the first time from aliphatic, aromatic and amide containing compounds. Bioanalytical applications of EVV 2DIR spectroscopy are explored and the first EVV 2DIR measurements on proteins reported. Operational protocols for collecting EVV 2DIR spectra are described and it is shown for the case of benzene Fermi resonances how excitation pulse ordering can be used to isolate different EVV coherence pathways, giving signals that report on several aspects of a molecule’s electrical and mechanical anharmonicity. Experimental spectra are compared with first principles simulations and in general found to be in good agreement with one another. It is shown that inter-pulse delays can substantially clean up frequency domain spectra and for the range of compounds studied, the 2DIR spectra are significantly decongested compared with their 1D infrared and Raman counterparts. EVV 2DIR coherence lifetime measurements are reported and applied to a range of simple organic compounds. Measurements of exponential dephasing, nonexponential dephasing and quantum beating are demonstrated, with the exponential decays used to accurately measure vibrational linewidths and the quantum beats to measure line splittings

NMR Study of Structure and Orientation of S4-S5 Linker Peptides from Shaw Related Potassium Ion Channels in Micelles and Binding of ZNF29R Protein to HIV RREIIBTR RNA

Potassium ion channels play a key role in the generation and propagation of action potentials. The S4-S5 linker peptide (L45) is believed to be responsible for the anesthetic/alcohol response of voltage-gated K+ channels. We investigated this region to define the structural basis of 1-alkanol binding site in dShaw2 K+ channel. L45 peptides derived from dShaw2 and hKv3.4 K+ channel, which, if part of the complete channel, demonstrate different sensitivity to 1-alcohols. Specifically, dShaw2 is alcohol sensitive and hKv3.4 is alcohol resistant. Structural analysis of L45 with NMR and CD suggested a direct correlation between alpha-helicity and the inhibition of dShaw2 channel by 1-butanol. We used CD and NMR to determine the structure of L45 peptides in micelles and vesicles. We measured spin-lattice relaxation time (T1) and determined the location and surface accessibility of L45 in micelles. These experiments confirm that L45 of dShaw2 adopts an α-helical conformation, partially buried in the membrane and parallel to the surface. The binding and accumulation of rev proteins to an internal loop of RRE (rev responsive element) of unspliced mRNA precursors is a key step of propagation of human immunodeficiency (HIV) virus. Molecules that interfere with this process can be expected to show anti-HIV activity. Our work is based on an assumption that zinc fingers could compete with rev proteins, therefore impeding the life cycle of HIV and stopping its infection. We studied the influence of different cations, anions, and the concentration of salts and osmolytes on the binding affinity with Polyacrylamide Gel Electrophoresis (PAGE) and Isothermal Titration Calorimetry (ITC). We conclude that the types of anions and/or cations and their concentrations affect the enthalpy and entropy of the binding interacitons. Using a gel assay, we confirm that there are three products in RNA-Protein reaction, and both EDTA and salts (and their concentrations) in the gel or samples interfere with RNA-protein complex mobility

Magnetic Hybrid-Materials

Externally tunable properties allow for new applications of suspensions of micro- and nanoparticles in sensors and actuators in technical and medical applications. By means of easy to generate and control magnetic fields, fluids inside of matrices are studied. This monnograph delivers the latest insigths into multi-scale modelling, manufacturing and application of those magnetic hybrid materials