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Intermolecular Interactions In Electron Transfer Through Stretched Helical Peptides
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Book Synopsis Intermolecular Interactions in Electron Transfer Through Stretched Helical Peptides by : Daniel Ernesto López Pérez
Download or read book Intermolecular Interactions in Electron Transfer Through Stretched Helical Peptides written by Daniel Ernesto López Pérez and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The helical peptide Cys-Ala-Lys-(Glu-Ala-Ala-Ala-Lys)2-Ala-NH-(CH2)2-SH has been organized forming a self-assembled monolayer on gold (0.602 peptides per nm2), its conductance behavior at stretching conditions being studied using scanning tunnelling microscopy and current sensing atomic force microscopy. The helical conformation of the peptide has been found to play a fundamental role in the conductance. Moreover, variation of the current upon molecular stretching indicates that peptides can be significantly elongated before the conductance drops to zero, the critical elongation being 1.22 ± 0.47 nm. Molecular dynamics simulations of a single peptide in the free state and of a variable number of peptides tethered to a gold surface (i.e. densities ranging from 10.026 to 1.295 peptides per nm2) have indicated that the helical conformation is intrinsically favored in solvated environments while in desolvated environments it is retained because of the fundamental role played by peptide–peptide intermolecular interactions. The structure obtained for the system with 24 tethered peptides, with a density of 0.634 peptides per nm2 is the closest to the experimental one, is in excellent agreement with experimental observations. On the other hand, simulations in which a single molecule is submitted to different compression and stretching processes while the rest remain in the equilibrium have been used to mimic the variation of the tip–substrate distance in experimental measures. Results allowed us to identify the existence, and in some cases coexistence, of intermolecular and intramolecular ionic ladders, suggesting that peptide-mediated electron transfer occurs through the hopping mechanism. Finally, quantum mechanical calculations have been used to investigate the variation of the electronic structure upon compression and stretching deformations.
Book Synopsis Photoinduced Electron Transfer to Helical Peptides by : Fiona Donald
Download or read book Photoinduced Electron Transfer to Helical Peptides written by Fiona Donald and published by . This book was released on 1998 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Handbook of Nanoelectrochemistry by : Mahmood Aliofkhazraei
Download or read book Handbook of Nanoelectrochemistry written by Mahmood Aliofkhazraei and published by Springer. This book was released on 2015-11-03 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This edited book is devoted to different electrochemical aspects of nano materials. This comprehensive reference text is basically divided in 3 parts: electrochemical synthesis routes for nanosized materials, electrochemical properties of nano materials and electrochemical characterization methods for nanostructures. The Handbook is a reference work to chemists and materials scientists interested in the nano aspects of electrochemistry. The chapters are written by a number of international experts in the field and the content will assist members of both electrochemical and materials communities to keep abreast of developments in the field.
Book Synopsis Theory of Biological and Biologically-inspired Molecules and Intermolecular Interactions by : Jieru Zheng
Download or read book Theory of Biological and Biologically-inspired Molecules and Intermolecular Interactions written by Jieru Zheng and published by . This book was released on 2007 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt: Four parts are included in this dissertation. Chapter 1 is an introduction to pi-interactions and provides a brief summary of the systems studied in this thesis. Chapter 2 is a study of electron transfer in a series of pi-stacked porphyrin-pi-bridge-quinone systems. The generalized Muliken-Hush (GMH) approach was employed to interpret the pi-mediated electronic couplings. Our predicted couplings and their soft decay with distance are in good agreement with the experimental data. The analysis indicates that this soft distance-dependence of couplings is due to the compression of the pi-stack and the phenyl rings provide the crucial tunneling mediation. We also explored the orientational dependence of electronic coupling in the stacked rings by applying the GMH approach, as well as an atom-to-atom electronic coupling analysis and orbital analysis. This study underscores the strong dependence of D-A (D and A represent donor and acceptor, respectively) coupling upon the nature of pi-stacking. Chapter 3 is a Time-dependent density functional theory (TDDFT) study on nonlinear optics of a series of D-A-D and A-D-A quadrupolar molecule. Both one-photon absorption (OPA) and two-photon absorption (TPA) spectra are calculated. The OPA spectra are in good agreement with experimental data. However, the predicted TPA bands are 2-5 times stronger than the experimental measurements. Nonplanarity is ascribed to the inconsistency between experiment and theory, and it is confirmed by the studies of how twisting the torsion angle between neighboring rings influences TPA, where the planar structures are deformed by changing the torsion angle along the bridge next to the center ring. Important factors for enhancing the TPA characteristics of organic molecules are discussed. Chapter 4 is a molecular dynamics (MD) simulation on the MetJ repressor-operator system and it employs the essential dynamics analysis of the MD trajectories. It is found that the co-repressor SAM "stiffens" the protein-DNA complex, which supports the idea that coupled global and, local vibrational modes can amplify enthalpic and entropic allostery. We also explored free energy perturbation calculations of repressor-operator binding in the presence of different co-repressors in this system. However, current data are not sufficient to explain the binding affinity due to limitations of the simulations.
Book Synopsis The Effects of Macrocyclic Constraints on Electron Transfer in Peptides by : John R. Horsley
Download or read book The Effects of Macrocyclic Constraints on Electron Transfer in Peptides written by John R. Horsley and published by . This book was released on 2015 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Research undertaken in this thesis focuses on electron transfer in peptides constrained into either a 310-helical or a [beta]-strand conformation in order to progress the field of molecular electronics. Chapter One: Natural proteins have evolved to promote electron transfer in many biological processes. However, their complex conformational nature inhibits a thorough investigation, so in order to study electron transfer in proteins, simple peptide models containing redox active moieties present as ideal candidates. Chapter One introduces the importance of secondary structure characteristic to proteins/peptides, and its relevance to electron transfer. The proposed mechanisms responsible for such electron transfer are discussed, along with the various approaches used to further constrain the peptides into their geometric conformations. The methods used to characterize the conformation of all peptides synthesized throughout this thesis are outlined, as are details of the electrochemical techniques used to investigate their electronic properties. A literature review describing several factors that have been shown to influence electron transfer in peptides, and a brief summary of molecular electronics follows. Chapter Two: Two 310-helical peptides were synthesized, one constrained via a covalent side-chain staple using Huisgencycloaddition, and the other a linear analogue. Both peptides contain a redox active terminal ferrocene moiety, and were separately attached to a single walled carbon nanotube (SWCNT)/gold electrode array for electrochemical analysis. The effect of backbone rigidity imparted by the side-bridge constraint was revealed, which was shown to restrict the necessary torsional motions that lead to facile intramolecular electron transfer along the peptide backbone. High level calculations were used to support the electrochemical observations. Chapter Three: A series of peptides constrained into either a 310-helix or [beta]-strand conformation were synthesized, each containing a varied number of electron rich alkene side chains. The ability of the alkene(s) to facilitate electron transfer through the peptides by exploiting a hopping mechanism, and thus act as a "stepping stone" was investigated. Ring closing metathesis was used to further rigidify the backbones of a helical and a [beta]-strand peptide via side chain tethers. The ensuing saturated and unsaturated compounds were electrochemically interrogated in order to explore any possible interplay between the effects of the alkene side-chains and backbone rigidity. High level calculations were conducted to verify the observed electrochemical data. Chapter Four: Two [beta]-strand peptides were synthesized, one constrained via a covalent side-chain staple using Huisgen cycloaddition, and the other a linear analogue. Both peptides contain a redox active terminal ferrocene moiety, and were separately attached to a SWCNT/gold electrode array for electrochemical analysis. The charge transfer pathway was determined to be intramolecular by measuring the electron transfer rate at various concentrations of the constrained peptide bound to the electrode. This pathway is analogous to charge transfer through a molecular junction involving a single peptide. Theoretical conductance simulations were then undertaken using two peptide analogues in order to establish a link between the electrochemical observations and conductance measurements through a molecular junction. Chapter Five: Two macrocyclic peptides were synthesized, one constrained into a 310-helical conformation by linking its i to i+3 residues to form a lactam bridge, and the other constrained into a [beta]- strand geometry via a lactam-bridge tether, linking its i to i+2 residues. These peptides were chosen in order to define the role of the amide bond in a lactam bridge constraint. Direct linear analogues of each were used to establish the effect on electron transfer from a terminal amide bond located in an untethered side-chain. High level calculations were also conducted in order to elucidate the mechanism(s) responsible for electron transfer in each of the linear and macrocyclic helical peptides.
Book Synopsis Electron Transfer Mechanism and Potential Applications of Α-helical Peptides by :
Download or read book Electron Transfer Mechanism and Potential Applications of Α-helical Peptides written by and published by . This book was released on 2007 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electron Transfer Mechanism and Potential Applications of [alpha]-helical Peptides by : Himadri Shekhar Mandal
Download or read book Electron Transfer Mechanism and Potential Applications of [alpha]-helical Peptides written by Himadri Shekhar Mandal and published by . This book was released on 2007 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electron Transfer Across Hydrogen Bonds in Peptides and Peptide-like Interfaces Using Ruthenium and Osmium Polypyridines Electron Transfer Probes by : Tarek Ghaddar
Download or read book Electron Transfer Across Hydrogen Bonds in Peptides and Peptide-like Interfaces Using Ruthenium and Osmium Polypyridines Electron Transfer Probes written by Tarek Ghaddar and published by . This book was released on 2000 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational and Experimental Studies in Alzheimer's Disease by : Kunal Bhattacharya
Download or read book Computational and Experimental Studies in Alzheimer's Disease written by Kunal Bhattacharya and published by CRC Press. This book was released on 2024-03-29 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reference book compiles the recent advances in computational and experimental modelling to screen and manage Alzheimer’s disease. It covers basic etiopathology and various in vitro and in vivo strategies of disease intervention. The book discusses how computer-aided drug design approaches reduce costs and increase biological test efficiency. It reviews the screening for anti-Alzheimer drugs and biomarker analysis of disease inhibitors. The book also explores mechanistic aspects of neurodegeneration and the use of natural products as therapeutics for Alzheimer’s disease. Key features: Elaborates on the computational modelling of protein target inhibitors as anti-Alzheimer’s agents Explains the role of phytomolecules and natural products in Alzheimer’s therapy Reviews preclinical ways to assess drugs focusing on Alzheimer’s disease Covers biomarker analysis for Alzheimer’s disease Discusses the onset and progression of Alzheimer’s disease The book is meant for professionals, researchers, and students of neuroscience, psychology, and computational neurosciences.
Download or read book Molecular Biology of the Cell written by and published by . This book was released on 2002 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Index Medicus written by and published by . This book was released on 2002 with total page 1948 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Peptidomimetics I by : William D. Lubell
Download or read book Peptidomimetics I written by William D. Lubell and published by Springer. This book was released on 2017-06-29 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Heterocyclic Chemistry presents critical reviews on present and future trends in the research of heterocyclic compounds. Overall the scope is to cover topics dealing with all areas within heterocyclic chemistry, both experimental and theoretical, of interest to the general heterocyclic chemistry community. The series consists of topic related volumes edited by renowned editors with contributions of experts in the field. All chapters from Topics in Heterocyclic Chemistry are published Online First with an individual DOI. In references, Topics in Heterocyclic Chemistry is abbreviated as Top Heterocycl Chem and cited as a journal.
Book Synopsis Journal by : American Chemical Society
Download or read book Journal written by American Chemical Society and published by . This book was released on 2002 with total page 1350 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Applied Science & Technology Index by :
Download or read book Applied Science & Technology Index written by and published by . This book was released on 1996 with total page 1720 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Quantum Biochemistry by : Chérif F. Matta
Download or read book Quantum Biochemistry written by Chérif F. Matta and published by John Wiley & Sons. This book was released on 2010-01-14 with total page 978 pages. Available in PDF, EPUB and Kindle. Book excerpt: Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds. The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Chemistry 1985).
Book Synopsis Simulations of Ion Transport Through Gramicidin-A by : Donald Hugh John Mackay
Download or read book Simulations of Ion Transport Through Gramicidin-A written by Donald Hugh John Mackay and published by . This book was released on 1985 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Elements of Physical Chemistry by : Peter William Atkins
Download or read book The Elements of Physical Chemistry written by Peter William Atkins and published by . This book was released on 2001 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: This revision of the introductory textbook of physical chemistry has been designed to broaden its appeal, particularly to students with an interest in biological applications.
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