NEWSLETTER Number 3 Fall 2005
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Carl-Ivar Brändén 1934–2004
OBITUARY Carl-Ivar Brändén 1934–2004 Shuguang Zhang, Alexander Rich, Joel L Sussman & Alan R Fersht Carl-Ivar Brändén of the Karolinska Institute died on April 28, 2004, higher language so the whole program was written in machine code. two weeks short of his 70th birthday. Carl (“Calle” to his friends and It took six months for Brändén to write a detailed flow chart, four family) was born in a tiny village in Lappland in the far north of months for Åsbrink to write the machine code and one year for them Sweden. His father was the local schoolteacher and Carl spent his first to debug the program. Over the next ten years this program was used six years at school under his own father’s supervision. There were only by the entire Scandinavian crystallographic community and was top- 15 children in the school, all in the same classroom, so when one age rated in the use of computer time for both BESK and its much group was in session, the other pupils were studying on their own. He improved successor FACIT. learned at an early age to concentrate on his work and ignore the noise In order to graduate, Carl had to take another course. His choice was around him. The village was poor and scholarly pursuit was unheard biochemistry. This decision completely changed his plans for the of. The climate consisted of nine months of winter and three months future, because he realized that he could apply his knowledge of crys- of cold wind; but nature was wonderful with beautiful lakes filled with tallography to scientifically important and intellectually stimulating lots of fish and deep forests full of berries and mushrooms and trees to problems in biology. -
Michael G. Rossmann (1930-2019) | Biofisica #15, Sep–Dec 2019
http://biofisica.info/ Michael G. Rossmann (1930-2019) | Biofisica #15, Sep–Dec 2019 Biofísica M a g a z i n e IN MEMORIAM Michael G. Rossmann (1930-2019) A towering figure of molecular biophysics Celerino Abad-Zapatero, University of Illinois at Chicago, IL (USA) . ICHAEL G. ROSSMANN, a towering figure in structure biology, was scheduled to give a plenary lecture at the 69th Annual Meeting of the American M Crystallographic Association – ACA in Covington, Kentucky on July 20th. His unexpected passing (May 14th, 2019 in West Lafayette, IN, USA) changed the lecture into a celebration of his scientific legacy with contributions from former students, postdocs, colleagues and the macromolecular crystallography community at large [1]. For students, postdocs and even younger practitioners of macromolecular crystallography, the name of MICHAEL ROSSMANN may bring associations with obscure Michael G. Rossmann references in technical journals of crystallography, or more recently, reference to X-ray (1930-2019). structures of large biological assemblies (i.e. viruses) and spectacular cryo-EM image reconstructions, without truly appreciating the monumental contributions that this premier figure of the field has made since the very early days of protein crystallography. MICHAEL, and physicists such as JOHN D. BERNAL, FRANCIS H. CRICK and others, established the methods and the physico-chemical basis for the interpretation of biological phenomena in terms of the atomic structures of the constituent macromolecules: they provided the framework for molecular biophysics. Fortunately, a selection of MICHAEL’s papers with some biographical notes and commentaries was published a few years ago [2], where the younger ‘apprentices’ of the field can appreciate his monumental contributions. -
Machine Learning for Condensed Matter Physics
Review Article Machine Learning for Condensed Matter Physics Edwin A. Bedolla-Montiel1, Luis Carlos Padierna1 and Ram´on Casta~neda-Priego1 1 Divisi´onde Ciencias e Ingenier´ıas,Universidad de Guanajuato, Loma del Bosque 103, 37150 Le´on,Mexico E-mail: [email protected] Abstract. Condensed Matter Physics (CMP) seeks to understand the microscopic interactions of matter at the quantum and atomistic levels, and describes how these interactions result in both mesoscopic and macroscopic properties. CMP overlaps with many other important branches of science, such as Chemistry, Materials Science, Statistical Physics, and High-Performance Computing. With the advancements in modern Machine Learning (ML) technology, a keen interest in applying these algorithms to further CMP research has created a compelling new area of research at the intersection of both fields. In this review, we aim to explore the main areas within CMP, which have successfully applied ML techniques to further research, such as the description and use of ML schemes for potential energy surfaces, the characterization of topological phases of matter in lattice systems, the prediction of phase transitions in off-lattice and atomistic simulations, the interpretation of ML theories with physics- inspired frameworks and the enhancement of simulation methods with ML algorithms. We also discuss in detial the main challenges and drawbacks of using ML methods on CMP problems, as well as some perspectives for future developments. Keywords: machine learning, condensed matter physics Submitted -
Michael Rossmann
• • Purdue College of Science | Spring 2017 MICHAEL ROSSMANN: HIS PATH TO PURDUE & DECADES OF DISCOVERY @PurdueScience INSIDE: ARTIFICIAL INTELLIGENCE :: ALUMNUS’S NEXT NASA MISSION Dr.JD For more than 50 years, Michael Rossmann, the Hanley Distinguished Professor of Biological Sciences, walked to his labs in Lilly Hall and Hockmeyer Hall of Structural Biology from his West Lafayette home. It was a leisurely 30 -minute stroll, at just over a mile to the southern tip of the Purdue campus. However, if one adds up all of his trips, he has traveled a distance equal to a round trip to Rio de Janeiro, Brazil, and back again to Rio. During those walks down Grant Street — past the blocks of homes built in the early 20th century as Purdue University grew and through an expanding campus — Rossmann’s mind stormed with ideas. Ideas mulled on these walks have led to monumental discoveries in the field of structural biology. Rossmann’s discoveries have helped doctors under - stand, treat and even cure infections from alpha viruses, coxsackievirus B3, flaviviruses like dengue and Zika, and even the rhinovirus that causes the common cold. His latest work has been a collaborative effort with Richard Kuhn, professor of biological sciences and director of the Purdue Institute for Inflammation, Immunology and Infectious Disease, to study Zika virus. The virus has received widespread attention because of an increase in microcephaly — a birth defect that causes brain damage and an abnormally small head in babies born to some mothers infected during pregnancy — and reported transmission of the mosquito -borne virus in 33 countries. -
Microbiology Immunology Cent
years This booklet was created by Ashley T. Haase, MD, Regents Professor and Head of the Department of Microbiology and Immunology, with invaluable input from current and former faculty, students, and staff. Acknowledgements to Colleen O’Neill, Department Administrator, for editorial and research assistance; the ASM Center for the History of Microbiology and Erik Moore, University Archivist, for historical documents and photos; and Ryan Kueser and the Medical School Office of Communications & Marketing, for design and production assistance. UMN Microbiology & Immunology 2019 Centennial Introduction CELEBRATING A CENTURY OF MICROBIOLOGY & IMMUNOLOGY This brief history captures the last half century from the last history and features foundational ideas and individuals who played prominent roles through their scientific contributions and leadership in microbiology and immunology at the University of Minnesota since the founding of the University in 1851. 1. UMN Microbiology & Immunology 2019 Centennial Microbiology at Minnesota MICROBIOLOGY AT MINNESOTA Microbiology at Minnesota has been From the beginning, faculty have studied distinguished from the beginning by the bacteria, viruses, and fungi relevant to breadth of the microorganisms studied important infectious diseases, from and by the disciplines and sub-disciplines early studies of diphtheria and rabies, represented in the research and teaching of through poliomyelitis, streptococcal and the faculty. The Microbiology Department staphylococcal infection to the present itself, as an integral part of the Medical day, HIV/AIDS and co-morbidities, TB and School since the department’s inception cryptococcal infections, and influenza. in 1918-1919, has been distinguished Beyond medical microbiology, veterinary too by its breadth, serving historically microbiology, microbial physiology, as the organizational center for all industrial microbiology, environmental microbiological teaching and research microbiology and ecology, microbial for the whole University. -
Calorimetric Study on Kinetics of Mesophase Transition in Thermotropic Copolyesters
View metadata, citation and similar papers at core.ac.uk brought to you by CORE provided by Directory of Open Access Journals IJRRAS 3 (1) ● April 2010 Talukdar & Achary ● Study on Kinetics of Mesophase Transition CALORIMETRIC STUDY ON KINETICS OF MESOPHASE TRANSITION IN THERMOTROPIC COPOLYESTERS Malabika Talukdar & P.Ganga Raju Achary Department Of Chemistry, Institute Of Technical Education and Research (ITER), S ‘O’A University, Bhubaneswar, Orissa, India ABSTRACT Macromolecular crystallization behaviour, especially those of liquid crystalline polymers, has been a subject of great interest. The crystallization process for the polyester samples under discussion are analyzed assuming a nucleation controlled process and by using the Avrami equation. The study mainly deals with the crystallization process from the mesophase of two thermotropic liquid crystalline polyesters exhibiting smectic order in their mesophasic state. In order to analyze crystallization behavior of the polyesters, crystallization rate constant and the Avrami exponent have been estimated. Total heat of crystallization and entropy change during the transition has been calculated for both the polyesters. Keywords: Crystallization; Mesophase; Nucleation; Orthorhombic; Smectic. 1. INTRODUCTION The transition kinetics of liquid crystal polymers appears to be of great interest in order to control the effect of processing conditions on the morphology as well as on the final properties of the materials. These LC polymers show at least three main transitions: a glass transition, a thermotropic transition from the crystal to the mesophase and the transition from the mesophase to the isotropic melt. The kinetics of phase transition in liquid crystals may be analyzed for three different processes, the three dimensional ordering from both the isotropic melt state and the mesophase and the formation of the mesophase from the isotropic melt. -
Soft Matter Theory
Soft Matter Theory K. Kroy Leipzig, 2016∗ Contents I Interacting Many-Body Systems 3 1 Pair interactions and pair correlations 4 2 Packing structure and material behavior 9 3 Ornstein{Zernike integral equation 14 4 Density functional theory 17 5 Applications: mesophase transitions, freezing, screening 23 II Soft-Matter Paradigms 31 6 Principles of hydrodynamics 32 7 Rheology of simple and complex fluids 41 8 Flexible polymers and renormalization 51 9 Semiflexible polymers and elastic singularities 63 ∗The script is not meant to be a substitute for reading proper textbooks nor for dissemina- tion. (See the notes for the introductory course for background information.) Comments and suggestions are highly welcome. 1 \Soft Matter" is one of the fastest growing fields in physics, as illustrated by the APS Council's official endorsement of the new Soft Matter Topical Group (GSOFT) in 2014 with more than four times the quorum, and by the fact that Isaac Newton's chair is now held by a soft matter theorist. It crosses traditional departmental walls and now provides a common focus and unifying perspective for many activities that formerly would have been separated into a variety of disciplines, such as mathematics, physics, biophysics, chemistry, chemical en- gineering, materials science. It brings together scientists, mathematicians and engineers to study materials such as colloids, micelles, biological, and granular matter, but is much less tied to certain materials, technologies, or applications than to the generic and unifying organizing principles governing them. In the widest sense, the field of soft matter comprises all applications of the principles of statistical mechanics to condensed matter that is not dominated by quantum effects. -
Michael G. Rossmann (1930–2019
obituary Michael G. Rossmann (1930–2019), pioneer in macromolecular and virus crystallography: scientist, mentor and friend ISSN 2059-7983 Eddy Arnold,a* Hao Wub,c and John E. Johnsond aCenter for Advanced Biotechnology and Medicine, and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, NJ 08854, USA, bDepartment of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA 02115, USA, cProgram in Cellular and Molecular Medicine, Boston Children’s Hospital, Boston, MA 02115, USA, and dDepartment of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA 92037, USA. *Correspondence e-mail: [email protected] Keywords: obituaries; Michael Rossmann. Michael George Rossmann, who made monumental contributions to science, passed away peacefully in West Lafayette, Indiana on 14 May 2019 at the age of 88, following a courageous five-year battle with cancer. Michael was born in Frankfurt, Germany on 30 July 1930. As a young boy, he emigrated to England with his mother just as World War II ignited. Michael was a highly innovative and energetic person, well known for his intensity, persistence and focus in pursuing his research goals. Michael was a towering figure in crystallography as a highly distinguished faculty member at Purdue University for 55 years. Michael made many seminal contributions to crystallography in a career that spanned the entirety of structural biology, beginning in the 1950s at Cambridge where the first protein structures were determined in the laboratories of Max Perutz (hemoglobin, 1960) and John Kendrew (myoglobin, 1958). Michael’s work was central in establishing and defining the field of structural biology, which amazingly has described the structures of a vast array of complex biological molecules and assemblies in atomic detail. -
Low Shear Rheological Behaviour of Two-Phase Mesophase Pitch
Published as: Shatish Ramjee, Brian Rand, Walter W. Focke. Low Shear Rheological Behaviour of Two-Phase Mesophase Pitch. Carbon 82 (2015), pp. 368-380. DOI : 10.1016/j.carbon.2014.10.082 Low Shear Rheological Behaviour of Two-Phase Mesophase Pitch Shatish Ramjee, Brian Rand*, Walter W. Focke SARChI Chair of Carbon Technology and Materials, Department of Chemical Engineering University of Pretoria, Pretoria, South Africa, 0002 Abstract: The low shear rate rheology of two phase mesophase pitches derived from coal tar pitch has been investigated. Particulate quinoline insolubles (QI) stabilised the mesophase spheres against coalescence. Viscosity measurements over the range 10 to 106 Pa.s were made at appropriate temperature ranges. Increasing shear thinning behaviour was evident with increasing mesophase content. At low mesophase contents the dominant effect on the near Newtonian viscosity was temperature but at higher contents it was the shear rate; temperature dependence declined to near zero. The data indicated that agglomeration could be occurring at intermediate mesophase volume fractions, 0.2-0.3. The Krieger-Dougherty function and its emulsion analogue indicated that in this region the mesophase pitch emulsions actually behaved like „hard‟ sphere systems and the effective volume fraction was estimated as a function of shear rate illustrating the change in extent of agglomeration. At the higher volume fractions approaching the maximum packing fraction, which could only be measured at higher temperatures, the shear thinning behaviour -
Exploring Thein Meso Crystallization Mechanism by Characterizing the Lipid Mesophase Microenvironment During the Growth of Singl
Exploring the in meso crystallization mechanism rsta.royalsocietypublishing.org by characterizing the lipid mesophase microenvironment Research during the growth of single Cite this article: van`tHagLet al.2016 transmembrane α-helical Exploring the in meso crystallization mechanism by characterizing the lipid peptide crystals mesophase microenvironment during the 1,3,4 2,5 growth of single transmembrane α-helical Leonie van `t Hag , Konstantin Knoblich , Shane Phil.Trans.R.Soc.A peptide crystals. 374: A. Seabrook6, Nigel M. Kirby7, Stephen T. Mudie7, 20150125. http://dx.doi.org/10.1098/rsta.2015.0125 Deborah Lau4,XuLi1,3, Sally L. Gras1,3,8,Xavier 4 2,5 2,5 Accepted: 12 February 2016 Mulet , Matthew E. Call , Melissa J. Call , Calum J. Drummond4,9 and Charlotte E. Conn9 One contribution of 15 to a discussion meeting 1 issue ‘Soft interfacial materials: from Department of Chemical and Biomolecular Engineering, and 2 fundamentals to formulation’. Department of Medical Biology, The University of Melbourne, Parkville, Victoria 3052, Australia Subject Areas: 3Bio21 Molecular Science and Biotechnology Institute, physical chemistry, biochemistry The University of Melbourne, 30 Flemington Road, Parkville, Victoria 3052, Australia Keywords: 4 in meso crystallization, cubic mesophase, CSIRO Manufacturing Flagship, Private Bag 10, Clayton, Victoria local lamellar phase, DAP12. 3169, Australia 5Structural Biology Division, The Walter and Eliza Hall Institute of Authors for correspondence: Medical Research, 1G Royal Parade, Parkville, Victoria 3052, -
In Memory of Michael G. Rossmann: a Wise Man with a Forever Young Heart
viruses Obituary In Memory of Michael G. Rossmann: A Wise Man with a Forever Young Heart Chuan (River) Xiao Department of Chemistry and Biochemistry, University of Texas at El Paso, El Paso, TX 79968, USA; [email protected] Whenever I think about Michael’s passing, a sad feeling still strikes me. Two months before his eighty-ninth birthday, Michael left us and his beloved scientific research. His legendary achievements have been reviewed in several memorial articles [1–3]. Thus, I will not repeat here what has already been well written. Instead, I want to remember Michael as a great human being, whose impact touched many. Before I met Michael, I read his seminal publication on the glyceraldehyde 3-phosphate dehydrogenase (GAPDH) structure. I used that structure as a template to model Rice GAPDH, which I manually sequenced in China. Therefore, I felt so lucky when I joined Michael’s group in 1998. I still remember the very first thing Michael taught me: “do not call me Professor Rossmann; call me Michael.” He described the historical association with the title “Professor” in the UK, stating that he would rather earn respect from his knowledge not his title. In the introductory lecture to my large undergraduate biochemistry classes, I always relay this story and tell my students that they can call me by my first name, River. This is just one example of how Michael influenced the culture at Purdue, where it is common for students to address professors by their first names, which is not the normal practice at many other places. -
Nematic Phases Smectic Phases
Phases of Liquid Crystals http://plc.cwru.edu/tutorial/enhanced/files/lc/phase... Liquid Crystal Phases The liquid crystal state is a distinct phase of matter observed between the crystalline (solid) and isotropic (liquid) states. There are many types of liquid crystal states, depending upon the amount of order in the material. This section will explain the phase behavior of liquid crystal materials. Nematic Phases The nematic liquid crystal phase is characterized by molecules that have no positional order but tend to point in the same direction (along the director). In the following diagram, notice that the molecules point vertically but are arranged with no particular order. Liquid crystals are anisotropic materials, and the physical properties of the system vary with the average alignment with the director. If the alignment is large, the material is very anisotropic. Similarly, if the alignment is small, the material is almost isotropic. The phase transition of a nematic liquid crystal is demonstrated in the following movie provided by Dr. Mary Neubert, LCI−KSU. The nematic phase is seen as the marbled texture. Watch as the temperature of the material is raised, causing a transition to the black, isotropic liquid. A special class of nematic liquid crystals is called chiral nematic. Chiral refers to the unique ability to selectively reflect one component of circularly polarized light. The term chiral nematic is used interchangeably with cholesteric. Refer to the section on cholesteric liquid crystals for more information about this mesophase. Smectic Phases The word "smectic" is derived from the Greek word for soap. This seemingly ambiguous origin is explained by the fact that the thick, slippery substance often found at the bottom of a soap dish is actually a type of smectic liquid crystal.