Готові списки джерел за темами / Energy of binding

Добірка наукової літератури з теми "Energy of binding"

Автор: Grafiati
Опубліковано: 6 вересня 2023
Оновлено: 7 вересня 2023

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Статті в журналах з теми "Energy of binding"

1

Kızılcık, Hasan Şahin. "Does binding energy bind?" Physics Education 56, no. 3 (February 24, 2021): 033005. http://dx.doi.org/10.1088/1361-6552/abe5b7.

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Englert, Berthold-Georg, and Julian Schwinger. "Atomic-binding-energy oscillations." Physical Review A 32, no. 1 (July 1, 1985): 47–63. http://dx.doi.org/10.1103/physreva.32.47.

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3

Lecker, Douglas N., Sangeeta Kumari, and Arshad Khan. "Iodine binding capacity and iodine binding energy of glycogen." Journal of Polymer Science Part A: Polymer Chemistry 35, no. 8 (June 1997): 1409–12. http://dx.doi.org/10.1002/(sici)1099-0518(199706)35:8<1409::aid-pola9>3.0.co;2-u.

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Nadeau, M.-J., X.-L. Zhao, M. A. Garwan, and A. E. Litherland. "Ca negative-ion binding energy." Physical Review A 46, no. 7 (October 1, 1992): R3588—R3590. http://dx.doi.org/10.1103/physreva.46.r3588.

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5

Filikhin, Igor, Vladimir Suslov та Branislav Vlahovic. "Hyperon binding energy inΛ6He andΛ7He". EPJ Web of Conferences 113 (2016): 07008. http://dx.doi.org/10.1051/epjconf/201611307008.

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Bizon, P., E. Malec, and N. O. Murchadha. "Binding energy for spherical stars." Classical and Quantum Gravity 7, no. 11 (November 1, 1990): 1953–59. http://dx.doi.org/10.1088/0264-9381/7/11/008.

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Ho, Y. K. "Binding energy of positronium molecules." Physical Review A 33, no. 5 (May 1, 1986): 3584–87. http://dx.doi.org/10.1103/physreva.33.3584.

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Hansen, David E., and Ronald T. Raines. "Binding energy and enzymatic catalysis." Journal of Chemical Education 67, no. 6 (June 1990): 483. http://dx.doi.org/10.1021/ed067p483.

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Bellert, D., T. Buthelezi, K. Dezfulian, T. Hayes, and P. J. Brucat. "The binding energy of VXe+." Chemical Physics Letters 260, no. 3-4 (September 1996): 458–64. http://dx.doi.org/10.1016/0009-2614(96)00848-2.

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Abdel-Raouf, Mohamed Assad. "Binding energy of protonium ions." Journal of Physics: Conference Series 194, no. 7 (November 1, 2009): 072003. http://dx.doi.org/10.1088/1742-6596/194/7/072003.

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Дисертації з теми "Energy of binding"

1

Ranganathan, Anirudh. "Protein – Ligand Binding: Estimation of Binding Free Energies." Thesis, KTH, Skolan för kemivetenskap (CHE), 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-147527.

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Accurate prediction of binding free energies of protein-ligand system has long been a focus area for theoretical and computational studies; with important implications in fields like pharmaceuticals, enzyme-redesign, etc. The aim of this project was to develop such a predictive model for calculating binding free energies of protein-ligand systems based on the LIE-SASA methods. Many models have been successfully fit to experimental data, but a general predictive model, not reliant on experimental values, would make LIE-SASA a more powerful and widely applicable method. The model was developed such that There is no significant increase in computational time No increase in complexity of system setup No increase in the number of empirical parameters. The method was tested on a small number of protein-ligand systems, selected with certain constraints. This was our training set, from which we obtain the complete expression for binding free energy. Expectedly, there was good agreement with experimental values for the training set On applying our model to a similar sized validation set, with the same selection constraints as for the training set, we achieved even better agreement with experimental results, with lower standard errors. Finally, the model was tested by applying it to a set of systems without such selection constraints, and again found good agreement with experimental values. In terms of accuracy, the model was comparable to a system specific empirical fit that was performed on this set. These encouraging results could be an indicator of generality.
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Taylor, Paul Andrew. "Nuclear Binding Energy in Terms of a Redefined (A)symmetry Energy." Thesis, Boston College, 2004. http://hdl.handle.net/2345/460.

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Thesis advisor: Kevin S. Bedell
We investigate the structure of the equation of state of finite nuclear matter by examining the nature of isospin dependence in the (a)symmetry energy term. In particular, we include in the description of the binding energy fourth-order dependence with respect to the asymmetry factor, (N-Z)/A, and the regime of the l=0 Landau parameter, F0´ , is required to be less than –1. This modified equation predicts a minimum binding energy where N≠Z, in addition to the standard symmetric minimum when N=Z. Results with the new asymmetry energy term are compared with experimental binding and symmetry energies from standard semi-empirical mass formulas. Importantly, this method reveals one possible mechanism for producing the phenomenon of neutron excess which is seen in physical nuclei
Thesis (BS) — Boston College, 2004
Submitted to: Boston College. College of Arts and Sciences
Discipline: Physics
Discipline: College Honors Program
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Cuthbert, A. "Positronium binding to metal surfaces." Thesis, University of Sussex, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.382489.

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Mercer, James Lee Jr. "New binding models for elemental semiconductors." Diss., Georgia Institute of Technology, 1992. http://hdl.handle.net/1853/27909.

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Hermansson, Anders. "Calculating Ligand-Protein Binding Energies from Molecular Dynamics Simulations." Thesis, KTH, Skolan för kemivetenskap (CHE), 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-170722.

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Indications that existing parameter sets of extended Linear Interaction Energy (LIE) models are transferable between lipases from Rhizomucor Miehei and Thermomyces Lanigunosus in complex with a small set of vinyl esters are demonstrated. By calculat- ing energy terms that represents the cost of forming cavities filled by the ligand and the complex we can add them to a LIE model with en established parameter set. The levels of precision attained will be comparable to those of an optimal fit. It is also demonstrated that the Molecular Mechanics/Poisson Boltzmann Surface Area (MM/PBSA) and Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) methods are in- applicable to the problem of calculating absolute binding energies, even when the largest source of variance has been reduced.
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Yildirim, Ozlem. "Energy Bands Of Tlse And Tlinse2 In Tight Binding Model." Master's thesis, METU, 2005. http://etd.lib.metu.edu.tr/upload/12606440/index.pdf.

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The electronical and structural properties of TlSe-type chain-like crystals are the main topic of this study. A computational method which is Tight Binding method is introduced and used to obtain the electronic band structure of TlSe and TlInSe2 . For both materials the partial and total density of states are calculated. The results are compared with the other theoretical results.
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Rocklin, Gabriel Jacob. "Predicting charged protein-ligand binding affinities using free energy calculations." Thesis, University of California, San Francisco, 2013. http://pqdtopen.proquest.com/#viewpdf?dispub=3587895.

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Predicting protein-ligand binding free energy from physical principles is a grand challenge in biophysics, with particular importance for drug discovery. Free energy calculations compute binding affinities by using classical mechanics to model the protein and ligand at atomic resolution, and using statistical mechanics to analyze simulations of these models. The binding affinities computed from these simulations are fully rigorous and thermodynamically correct for the model (with adequate sampling), and will agree with experimentally measured binding affinities if the model is accurate. Because free energy calculations capture the full statistical complexity of binding for flexible molecules at ambient temperature, they offer the greatest potential for quantitative accuracy of any physical method for predicting binding.

Here, I (& coauthors) present several studies relating to using free energy calculations to predict protein-ligand binding affinities for charged compounds. First, we introduce the Separated Topologies method, an approach for using free energy calculations to predict relative binding affinities of unrelated ligands. This method is useful for studying charged compounds because charged compounds are very difficult to study using absolute binding calculations, increasing the importance of relative binding calculations. Second, we use free energy calculations to predict absolute binding affinities for charged molecules to a simplified protein binding site, which is specially designed for studying charged interactions. These predictions are compared to new experimental affinity measurements and new high-resolution structures of the protein-ligand complexes. We find that all affinities are predicted to be too strong, and that this error is directly correlated with the polarity of each ligand. By uniformly weakening the strength of electrostatic interactions, we are more successful at predicting binding affinity. Third, we design and validate an analytical correction scheme to correct binding free energy calculations of ions for artifacts caused by the periodic boundary conditions employed in simulations. Fourth, we examine the sensitivity of binding affinities from free energy calculations to the force field parameters used in the simulations. This provides insight into the strength of electrostatic interactions in protein simulations, complementing our previous work comparing simulation results to experiments. Finally, we discuss potential future directions of this work.

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Carlsson, Jens. "Challenges in Computational Biochemistry: Solvation and Ligand Binding." Doctoral thesis, Uppsala University, Department of Cell and Molecular Biology, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8738.

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Accurate calculations of free energies for molecular association and solvation are important for the understanding of biochemical processes, and are useful in many pharmaceutical applications. In this thesis, molecular dynamics (MD) simulations are used to calculate thermodynamic properties for solvation and ligand binding.

The thermodynamic integration technique is used to calculate pKa values for three aspartic acid residues in two different proteins. MD simulations are carried out in explicit and Generalized-Born continuum solvent. The calculated pKa values are in qualitative agreement with experiment in both cases. A combination of MD simulations and a continuum electrostatics method is applied to examine pKa shifts in wild-type and mutant epoxide hydrolase. The calculated pKa values support a model that can explain some of the pH dependent properties of this enzyme.

Development of the linear interaction energy (LIE) method for calculating solvation and binding free energies is presented. A new model for estimating the electrostatic term in the LIE method is derived and is shown to reproduce experimental free energies of hydration. An LIE method based on a continuum solvent representation is also developed and it is shown to reproduce binding free energies for inhibitors of a malaria enzyme. The possibility of using a combination of docking, MD and the LIE method to predict binding affinities for large datasets of ligands is also investigated. Good agreement with experiment is found for a set of non-nucleoside inhibitors of HIV-1 reverse transcriptase.

Approaches for decomposing solvation and binding free energies into enthalpic and entropic components are also examined. Methods for calculating the translational and rotational binding entropies for a ligand are presented. The possibility to calculate ion hydration free energies and entropies for alkali metal ions by using rigorous free energy techniques is also investigated and the results agree well with experimental data.

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9

Green, David Francis 1975. "Optimization of electrostatic binding free energy : applications to the analysis and design of ligand binding in protein complexes." Thesis, Massachusetts Institute of Technology, 2002. http://hdl.handle.net/1721.1/16888.

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Анотація:
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 2002.
Vita.
Includes bibliographical references (p. 279-298).
This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections.
Electrostatic interactions play an important role in determining the energetics of association in biomolecular complexes. Previous work has shown that, within a continuum electrostatic model, for any given complex there exists a ligand charge distribution which optimizes the electrostatic binding free energy - the electrostatic complement of the target receptor. This electrostatic affinity optimization procedure was applied to several systems both in order to understand the role of electrostatic interactions in natural systems and as a tool in the design of ligands with improved affinity. Comparison of the natural and optimal charges of several ligands of glutaminyl-tRNA synthetase from E. coli, an enzyme with a strong natural requirement for specificity, shows remarkable similarity in many areas, suggesting that the optimization of electrostatic interactions played a role in the evolution of this system. The optimization procedure was also applied to the design of improvements to two inhibitors of HIV-1 viral-cell membrane fusion. Two tryptophan residues that are part of a D-peptide inhibitor were identified as contributing most significantly to binding, and a novel computational screening procedure based on the optimization methodology was developed to screen a library of tryptophan derivatives at both positions. Additionally, the optimization methodology was used to predict four mutations to standard amino acids at three positions on 5-Helix, a protein inhibitor of membrane fusion. All mutations were computed to improve the affinity of the inhibitor, with a five hundred-fold improvement calculated for one triple mutant.
(cont.) In the complex of b-lactamase inhibitor protein with TEM1 b-lactamase, a novel type of electrostatic interaction was identified, with surface exposed charged groups on the periphery of the binding interface projecting significant energetic effects through as much as 10 A of solvent. Finally, a large number of ab initio methods for determining partial atomic charges on small molecules were evaluated in terms of their ability to reproduce experimental values in continuum electrostatic calculations, with several preferred methods identified.
by David Francis Green.
Ph.D.
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10

Keränen, Henrik. "Advances in Ligand Binding Predictions using Molecular Dynamics Simulations." Doctoral thesis, Uppsala universitet, Beräknings- och systembiologi, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-230777.

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Biochemical processes all involve associations and dissociations of chemical entities. Understanding these is of substantial importance for many modern pharmaceutical applications. In this thesis, longstanding problems with regard to ligand binding are treated with computational methods, applied to proteins of key pharmaceutical importance. Homology modeling, docking, molecular dynamics simulations and free-energy calculations are used here for quantitative characterization of ligand binding to proteins. By combining computational tools, valuable contributions have been made for pharmaceutically relevant areas: a neglected tropical disease, an ion channel anti-drug-target, and GPCR drug-targets. We report three compounds inhibiting cruzain, the main cysteine protease of the protozoa causing Chagas’ disease. The compounds were found through an extensive virtual screening study and validated with experimental enzymatic assays. The compounds inhibit the enzyme in the μM-range and are therefore valuable in further lead optimization studies. A high-resolution crystal structure of the BRICHOS domain is reported, together with molecular dynamics simulations and hydrogen-deuterium exchange mass spectrometry studies. This work revealed a plausible mechanism for how the chaperone activity of the domain may operate. Rationalization of structure-activity relationships for a set of analogous blockers of the hERG potassium channel is given. A homology model of the ion channel was used for docking compounds and molecular dynamics simulations together with the linear interaction energy method employed for calculating the binding free-energies. The three-dimensional coordinates of two GPCRs, 5HT1B and 5HT2B, were derived from homology modeling and evaluated in the GPCR Dock 2013 assessment. Our models were in good correlation with the experimental structures and all of them placed among the top quarter of all models assessed.  Finally, a computational method, based on molecular dynamics free-energy calculations, for performing alanine scanning was validated with the A2A adenosine receptor bound to either agonist or antagonist. The calculated binding free-energies were found to be in good agreement with experimental data and the method was subsequently extended to non-alanine mutations. With extensive experimental mutation data, this scheme is a valuable tool for quantitative understanding of ligand binding and can ultimately be used for structure-based drug design.
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Книги з теми "Energy of binding"

1

Manea, Vladimir. Binding Energy of Strongly Deformed Radionuclides. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-20409-3.

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2

Kříž, J. A. Elements of the nuclear binding energy. Brno, [Czech Republic]: J.A. Kriz, 1995.

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1940-, Smith John Robert, Rose James H, and United States. National Aeronautics and Space Administration, eds. Universal binding energy relations in metallic adhesion. [Washington, D.C.?]: National Aeronautics and Space Administration, 1985.

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4

Egelhoff, W. F. Core-level binding-energy shifts at surfaces and in solids. Amsterdam: North-Holland, 1986.

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5

Lee, Timothy J. Theoretical investigations of the structures and binding energies of Ben and Mgn (n=3-5) clusters. [Washington, DC: National Aeronautics and Space Administration, 1990.

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United States. National Aeronautics and Space Administration., ed. EUVE spectroscopy of the accretion region in AM Herculis: Final technical report for NAG 5-2991, report period: 15 July 1996 - 14 July 1997. [Washington, DC]: National Aeronautics and Space Administration, 1997.

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7

W, Bauschlicher Charles, and United States. National Aeronautics and Space Administration., eds. Structure of V(H₂)n + clusters for n = 1-6. [Washington, D.C: National Aeronautics and Space Administration, 1995.

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W, Bauschlicher Charles, and United States. National Aeronautics and Space Administration., eds. Structure of V(H₂)n + clusters for n = 1-6. [Washington, D.C: National Aeronautics and Space Administration, 1995.

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W, Bauschlicher Charles, and United States. National Aeronautics and Space Administration., eds. Theoretical study of Fe(CO)n. [Washington, D.C: National Aeronautics and Space Administration, 1995.

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10

Lee, Timothy J. Comparison of the quadratic configuration interaction and coupled cluster approaches to electron correlation including the effect of triple excitations. [Moffett Field, Calif: National Aeronautics and Space Administration, Ames Research Center, 1991.

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Частини книг з теми "Energy of binding"

1

Charnley, Steven. "Binding Energy." In Encyclopedia of Astrobiology, 158. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-11274-4_163.

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Charnley, Steven B. "Binding Energy." In Encyclopedia of Astrobiology, 260–61. Berlin, Heidelberg: Springer Berlin Heidelberg, 2015. http://dx.doi.org/10.1007/978-3-662-44185-5_163.

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Charnley, Steven B. "Binding Energy." In Encyclopedia of Astrobiology, 1. Berlin, Heidelberg: Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-642-27833-4_163-3.

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Charnley, Steven B. "Binding Energy." In Encyclopedia of Astrobiology, 344–45. Berlin, Heidelberg: Springer Berlin Heidelberg, 2023. http://dx.doi.org/10.1007/978-3-662-65093-6_163.

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Strauch, D. "AlN: ground-state energy, binding energy." In New Data and Updates for IV-IV, III-V, II-VI and I-VII Compounds, their Mixed Crystals and Diluted Magnetic Semiconductors, 78. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14148-5_57.

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Troć, R. "Americium Monochalcogenides: Binding Energy." In Actinide Monochalcogenides, 345–47. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-540-47043-4_48.

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McCammon, J. Andrew. "Free Energy and Binding Selectivity." In Computational Approaches in Supramolecular Chemistry, 515–17. Dordrecht: Springer Netherlands, 1994. http://dx.doi.org/10.1007/978-94-011-1058-7_33.

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Phongikaroon, Supathorn. "Nuclear Energetics I—Binding Energy and Separation Energy." In Introduction to Nuclear Engineering, 59–67. Boca Raton: CRC Press, 2023. http://dx.doi.org/10.1201/9781003272588-4.

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Orzechowska, Aleksandra, Ralph Bock, Marzena de Odrowaž Piramowicz, Kazimierz Strzałka, and Kvètoslava Burda. "Cu2+ Binding Sites in PSII." In Photosynthesis. Energy from the Sun, 657–60. Dordrecht: Springer Netherlands, 2008. http://dx.doi.org/10.1007/978-1-4020-6709-9_148.

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Manea, Vladimir. "Nuclear Observables." In Binding Energy of Strongly Deformed Radionuclides, 1–20. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-20409-3_1.

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Тези доповідей конференцій з теми "Energy of binding"

1

Goun, Alexei. "Binding energy of photonic molecule." In International Quantum Electronics Conference. Washington, D.C.: OSA, 2004. http://dx.doi.org/10.1364/iqec.2004.ithg26.

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Carlsson, B. G. "Nuclear binding energy at high spin." In FRONTIERS IN NUCLEAR STRUCTURE, ASTROPHYSICS, AND REACTIONS - FINUSTAR. AIP, 2006. http://dx.doi.org/10.1063/1.2200900.

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Yadav, Menka, and Deepak Kumar. "Excitonic binding energy and dissociation rate." In PROCEEDINGS OF THE NATIONAL CONFERENCE ON RECENT ADVANCES IN CONDENSED MATTER PHYSICS: RACMP-2018. Author(s), 2019. http://dx.doi.org/10.1063/1.5097099.

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Tas, N. C., C. Sastry, and V. Mesrob. "Noise-Aware Energy-Efficient Sensor Binding." In 17th International Conference on Computer Communications and Networks 2008. IEEE, 2008. http://dx.doi.org/10.1109/icccn.2008.ecp.128.

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Rodríguez, Justo, Luciana C. Dávila Romero, and David L. Andrews. "Optical binding: potential energy landscapes and QED." In Integrated Optoelectronic Devices 2008, edited by David L. Andrews, Enrique J. Galvez, and Gerard Nienhuis. SPIE, 2008. http://dx.doi.org/10.1117/12.763256.

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Safa, Haidar, Fatima K. Abu Salem, and Ali Tawbeh. "Energy-aware sensor-to-sink binding in WSNs." In 2016 IEEE International Black Sea Conference on Communications and Networking (BlackSeaCom). IEEE, 2016. http://dx.doi.org/10.1109/blackseacom.2016.7901590.

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Song, Y., and R. Machleidt. "Off-shell NN potential and triton binding energy." In The 14th international conference of few-body problems in physics. AIP, 1995. http://dx.doi.org/10.1063/1.48128.

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Ankita and B. Suthar. "Nuclear binding energy using semi empirical mass formula." In INTERNATIONAL CONFERENCE ON CONDENSED MATTER AND APPLIED PHYSICS (ICC 2015): Proceeding of International Conference on Condensed Matter and Applied Physics. Author(s), 2016. http://dx.doi.org/10.1063/1.4946074.

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Wall, Michael E. "Ligand Binding, Protein Fluctuations, And Allosteric Free Energy." In FROM PHYSICS TO BIOLOGY: The Interface between Experiment and Computation - BIFI 2006 II International Congress. AIP, 2006. http://dx.doi.org/10.1063/1.2345620.

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Yue Shi, Dian Jiao, M. J. Schnieders, and Pengyu Ren. "Trypsin-ligand binding free energy calculation with AMOEBA." In 2009 Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE, 2009. http://dx.doi.org/10.1109/iembs.2009.5335108.

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Звіти організацій з теми "Energy of binding"

1

Frame, B. J. Alternate Energy Sources for Thermalplastic Binding Agent Consolidation. Office of Scientific and Technical Information (OSTI), January 1999. http://dx.doi.org/10.2172/814560.

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2

Farr, J., and L. Cox. Core-level binding energy shifts of the light actinide tetrafluorides and dioxides. Office of Scientific and Technical Information (OSTI), October 1989. http://dx.doi.org/10.2172/5555336.

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3

Liu, Jie. Optimizing the Binding Energy of Hydrogen on Nanostructured Carbon Materials through Structure Control and Chemical Doping. Office of Scientific and Technical Information (OSTI), February 2011. http://dx.doi.org/10.2172/1004174.

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4

Frankfurt, L., M. Strikman, and G. A. Miller. High energy nuclear quasielastic reactions: Decisive tests of nuclear binding/pion models of the EMC effect. Office of Scientific and Technical Information (OSTI), January 1991. http://dx.doi.org/10.2172/6090979.

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5

Chung, T. C. Mike. Developing a Novel Hydrogen Sponge with Ideal Binding Energy and High Surface Area for Practical Hydrogen Storage. Office of Scientific and Technical Information (OSTI), April 2018. http://dx.doi.org/10.2172/1433651.

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6

Nelson, A. J., G. Berry, and A. Rockett. Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe{sub 2}. Office of Scientific and Technical Information (OSTI), April 1997. http://dx.doi.org/10.2172/603574.

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7

Rahimipour, Shai, and David Donovan. Renewable, long-term, antimicrobial surface treatments through dopamine-mediated binding of peptidoglycan hydrolases. United States Department of Agriculture, January 2012. http://dx.doi.org/10.32747/2012.7597930.bard.

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Анотація:
There is a need for renewable antimicrobial surface treatments that are semi- permanent, can eradicate both biofilms and planktonic pathogens over long periods of time and that do not select for resistant strains. This proposal describes a dopamine binding technology that is inexpensive, bio-friendly, non-toxic, and uses straight-forward commercially available products. The antimicrobial agents are peptidoglycanhydrolase enzymes that are non-toxic and highly refractory to resistance development. The goal of this project is to create a treatment that will be applicable to a wide variety of surfaces and will convey long-lasting antimicrobial activity. Although the immediate goal is to create staphylolytic surfaces, the technology should be applicable to any pathogen and will thus contribute to no less than 3 BARD priorities: 1) increased animal production by protecting animals from invasive and emerging diseases, 2) Antimicrobial food packaging will improve food safety and security and 3) sustainable bio- energy systems will be supported by coating fermentation vats with antimicrobials that could protect ethanolic fermentations from Lactobacillus contamination that reduces ethanol yields. The dopamine-based modification of surfaces is inspired by the strong adhesion of mussel adhesion proteins to virtually all types of surfaces, including metals, polymers, and inorganic materials. Peptidoglycanhydrolases (PGHs) meet the criteria of a surface bound antimicrobial with their site of action being extracellular peptidoglycan (the structural basis of the bacterial cell wall) that when breached causes osmotic lysis. As a proof of principle, we will develop technology using peptidoglycanhydrolase enzymes that target Staphylococcus aureus, a notoriously contagious and antimicrobial-resistant pathogen. We will test for susceptibility of the coating to a variety of environmental stresses including UV light, abrasive cleaning and dessication. In order to avoid resistance development, we intend to use three unique, synergistic, simultaneous staphylococcal enzyme activities. The hydrolases are modular such that we have created fusion proteins with three lytic activities that are highly refractory to resistance development. It is essential to use multiple simultaneous activities to avoid selecting for antimicrobial resistant strains. This strategy is applicable to both Gram positive and negative pathogens. We anticipate that upon completion of this award the technology will be available for commercialization within the time required to achieve a suitable high volume production scheme for the required enzymes (~1-2 years). We expect the modified surface will remain antimicrobial for several days, and when necessary, the protocol for renewal of the surface will be easily applied in a diverse array of environments, from food processing plants to barnyards.
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Boisclair, Yves R., and Arieh Gertler. Development and Use of Leptin Receptor Antagonists to Increase Appetite and Adaptive Metabolism in Ruminants. United States Department of Agriculture, January 2012. http://dx.doi.org/10.32747/2012.7697120.bard.

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Objectives The original project had 2 major objectives: (1) To determine the effects of centrally administered leptin antagonist on appetite and adaptive metabolism in the sheep; (2) To develop and prepare second-generation leptin antagonists combining high binding affinity and prolonged in vivo half-life. Background Periods of suboptimal nutrition or exaggerated metabolic activity demands lead to a state of chronic energy insufficiency. Ruminants remain productive for a surprisingly long period of time under these circumstances by evoking adaptations sparing available energy and nutrients. The mechanism driving these adaptations in ruminant remains unknown, but could involve a reduction in plasma leptin, a hormone acting predominantly in the brain. In laboratory animals, reduced leptin signaling promotes survival during nutritional insufficiency by triggering energy sparing adaptations such as reduced thyroid hormone production and insulin resistance. Our overall hypothesis is that similar adaptations are triggered by reduced leptin signaling in the brain of ruminants. Testing of this hypothesis in ruminants has not been possible due to inability to block the actions of endogenous leptin and access to ruminant models where leptin antagonistic therapy is feasible and effective. Major achievements and conclusions The Israeli team had previously mutated 3 residues in ovine leptin, with no effect on receptor binding. This mutant was renamed ovine leptin antagonist (OLA) because it cannot activate signaling and therefore antagonizes the ability of wild type leptin to activate its receptor. To transform OLA into an effective in vivo antagonist, the Israeli made 2 important technical advances. First, it incorporated an additional mutation into OLA, increasing its binding affinity and thus transforming it into a super ovine leptin antagonist (SOLA). Second, the Israeli team developed a method whereby polyethylene glycol is covalently attached to SOLA (PEG-SOLA) with the goal of extending its half-life in vivo. The US team used OLA and PEG-SOLA in 2 separate animal models. First, OLA was chronically administered directly into the brain of mature sheep via a cannula implanted into the 3rdcerebroventricule. Unexpectedly, OLA had no effect of voluntary feed intake or various indicators of peripheral insulin action but reduced the plasma concentration of thyroid hormones. Second, the US team tested the effect of peripheral PEG-SOLA administration in an energy sensitive, rapidly growing lamb model. PEG-SOLA was administered for 14 consecutive days after birth or for 5 consecutive days before sacrifice on day 40 of life. Plasma PEG-SOLA had a half-life of over 16 h and circulated in 225- to 288-fold excess over endogenous leptin. PEG-SOLA administration reduced plasma thyroid hormones and resulted in a higher fat content in the carcass at slaughter, but had no effects on feed intake, body weight, plasma glucose or insulin. These results show that the team succeeded in developing a leptin antagonist with a long in vivo half-life. Moreover, in vivo results show that reduced leptin signaling promotes energy sparing in ruminants by repressing thyroid hormone production. Scientific and agricultural implications The physiological role of leptin in ruminants has been difficult to resolve because peripheral administration of wild type leptin causes little effects. Our work with leptin antagonists show for the first time in ruminants that reduced leptin signaling induces energy sparing mechanisms involving thyroid hormone production with little effect on peripheral insulin action. Additional work is needed to develop even more potent leptin antagonists, to establish optimal administration protocols and to narrow down phases of the ruminant life cycle when their use will improve productivity.
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9

Kolodziejczyk, Bart. Unsettled Issues Concerning the Use of Green Ammonia Fuel in Ground Vehicles. SAE International, February 2021. http://dx.doi.org/10.4271/epr2021003.

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Анотація:
While hydrogen is emerging as a clean alternative automotive fuel and energy storage medium, there are still numerous challenges to implementation, such as the economy of hydrogen production and deployment, expensive storage materials, energy intensive compression or liquefaction processes, and limited trial applications. Synthetic ammonia production, on the other hand, has been available on an industrial scale for nearly a century. Ammonia is one of the most-traded commodities globally and the second most-produced synthetic chemical after sulfuric acid. As an energy carrier, it enables effective hydrogen storage in chemical form by binding hydrogen atoms to atmospheric nitrogen. While ammonia as a fuel is still in its infancy, its unique properties render it as a potentially viable candidate for decarbonizing the automotive industry. Yet, lack of regulation and standards for automotive applications, technology readiness, and reliance on natural gas for both hydrogen feedstocks to generate the ammonia and facilitate hydrogen and nitrogen conversion into liquid ammonia add extra uncertainty to use scenarios. Unsettled Issues Concerning the Use of Green Ammonia Fuel in Ground Vehicles brings together collected knowledge on current and future prospects for the application of ammonia in ground vehicles, including the technological and regulatory challenges for this new type of clean fuel.
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Oduncu, Arif. Country Diagnostic Study – The Kyrgyz Republic. Islamic Development Bank Institute, December 2021. http://dx.doi.org/10.55780/rp21001.

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The Country Diagnostic Study (CDS) for the Kyrgyz Republic uses the Hausmann-Rodrik-Velasco growth diagnostics model to identify the binding constraints being faced in its quest for higher and more sustained economic growth and make recommendations to relax these constraints. Hence, the findings of the CDS can help the Islamic Development Bank in identifying areas where it can have a greater impact and provide an evidence-basis to support the development of the Member Country Partnership Strategy (MCPS). During the last two decades, the Kyrgyz Republic has recorded low performance in economic development. The country recorded only 3.0 percent of average annual Purchasing Power Parity (PPP)-adjusted Gross Domestic Product (GDP) per capita growth from 2000 to 2019. The Kyrgyz Republic is facing several economic and social problems that are challenging its economic development model. This CDS report shows that the most binding constraints to inclusive and sustainable growth include i) low human capital, ii) poor infrastructure, iii) government and market failures, and iv) high cost of capital. The Kyrgyz development model’s performance is a subject of concern not only for the government and other local stakeholders but also for the technical and financial partners of the Kyrgyz Republic, including the Islamic Development Bank. The MCPS aims to contribute to the global efforts made by the Kyrgyz Republic to meet its economic and social needs through leveraging opportunities offered by the new business model of the Bank. Given the Kyrgyz Republic’s positives, the Bank can consider financing transport, energy and ICT infrastructure projects and supporting manufacturing and agricultural sectors to assist economic growth.
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