International climate regime beyond 2012 - are quota allocation rules robust to uncertainty?

Bringing the United States and major developing countries to control their greenhouse gas emissions will be the key challenge for the international climate regime beyond the Kyoto Protocol. But in the current quantity-based coordination, large uncertainties surrounding future emissions and future abatement opportunities make the costs of any commitment very difficult to assess ex ante, hence a strong risk that the negotiation will be stalled. The authors use a partial equilibrium model of the international allowance market to quantify the economic consequences of the main post-Kyoto quota allocation rules proposed in the literature and to assess how robust these consequences are to uncertainty on future population, economic, and emissions growth. They confirm that, regardless of the rule selected, the prices of allowances and the net costs of climate mitigation for all parties are very sensitive to uncertainty, and in some scenarios very large. This constitutes a strong barrier against adopting any of these schemes if no additional mechanism is introduced to limit the uncertainty on costs. On the other hand, parties'preferred (least-cost) rules are essentially robust to uncertainty. And although these preferences differ across countries, the authors'analysis suggest some bargaining is possible if developing countries make a commitment and join the allowance market earlier in exchange for tighter quotas in the North. This underscores the importance of the rules governing the entry of new parties into the coordination. But the magnitude of the win-win potential strongly depends on how different abatement costs are assumed to be between industrial and developing countries, and on how long that gap is assumed to persist.Montreal Protocol,Climate Change,Global Environment Facility,Environmental Economics&Policies,Economic Theory&Research,Environmental Economics&Policies,Climate Change,Energy and Environment,Carbon Policy and Trading,Montreal Protocol

Development and prospective application of chemoinformatic tools to explore new ligand chemistry and protein biology

Drug discovery and design is a tedious and expensive process whose small chances of success necessitates the development of novel chemoinformatic approaches and concepts. Their common goal is the efficient and robust identification of promising chemical matter and the reliable prediction of its properties. Computer-aided drug discovery and design (CADDD) and its multifarious installments throughout the different phases of the drug discovery pipeline contribute significantly to the expansion of the hits, the understanding of their structure-activity relationship and their rational diversification. They alleviate the development’s costs and its time-demand thus support the search for the needle in the haystack – a potent hit. The HTS-driven brute-force nature of current and of the decades’ past discovery and design strategies compelled researchers to develop ideas and algorithms in order to interfere with the pipeline and prevent its frequent failures. In the introduction, I describe the drug discovery and design pipeline and point out interfaces where CADDD contributes to its success. In Part 1 of this thesis, I present a novel methodology that supports the early-stage hit discovery processes through a fragment-based reduced graph similarity approach (RedFrag). It is a chimeric algorithm that combines fingerprint-based similarity calculation with scaffold-hopping-enabling graph isomorphism. We thoroughly investigated its performance retro- and prospectively. It uses a new type of reduced graph that does not suffer from information loss during its construction and bypasses the necessity of feature definitions. Built upon chemical epitopes resulting from molecule fragmentation, the reduced graph embodies physico-chemical and 2D-structural properties of a molecule. Reduced graphs are compared with a continuous-similarity-distance-driven maximal common subgraph algorithm, which calculates similarity at the fragmental and topological levels. The second chapter, Part 2, is dedicated to PrenDB: A digital compendium of the reaction space of prenyltransferases of the dimethylallyltryptophan synthase (DMATS) superfamily. Their catalytical transformations represent a major skeletal diversification step in the biosynthesis of secondary metabolites including the indole alkaloids. DMATS enzymes thus contribute significantly to the biological and pharmacological diversity of small molecule metabolites. The attachment of the prenyl donor to lead- or drug-like molecules renders the prenyltransferases useful in the access of chemical space that is difficult to reach by conventional synthesis. In PrenDB, we collected the substrates, enzymes and products. We then used a newly developed algorithm based on molecular fragmentation to automatically extract reactive chemical epitopes. The analysis of the collected data sheds light on the thus far explored substrate space of DMATS enzymes. We supplemented the browsable database with algorithmic prediction routines in order to assess the prenylability of novel compounds and did so for a set of 38 molecules. In a case study, Part 3, we investigated the regioselectivity of five prenyltransferases in the presence of unnatural prenyl donors. Detailed biochemical investigations revealed the acceptance of these dimethylallyl pyrophosphate (DMAPP) analogs by all tested enzymes with different relative activities and regioselectivities. In order to understand the activity profiles and their differences on a molecular level we investigated the interaction within the enzyme-prenyl donor-substrate system with molecular dynamics. Our experiments show that the reactivity of a prenyl donor strongly correlates with the distance of its electrophilic, reactive atom and the nucleophilic center of the substrate molecule. It renders the first step towards a better mechanistic understanding of the reactivity of prenyltransferases and expands significantly the potential usage and rational design of tryptophan prenylating enzymes as biocatalysts for Friedel–Crafts alkylation. Lastly, in Part 4, we present the synergistic potential of combined ligand- and structure-based drug discovery methodologies applied to the β2-adrenergic receptor (β2AR). The β2AR is a G protein-coupled receptor (GPCR) and a well-explored target. By the joint application of fingerprint-based similarity, substructure-based searches and docking we discovered 13 ligands – ten of which were novel – of this particular GPCR. Of note, two of the molecules used as starting points for the similarity and substructure searches distinguish themselves from other β2AR antagonists by their unique scaffold. Thus, the usage of a multistep hierarchical or parallel screening approach enabled us to use these unique structural features and discover novel chemical matter beyond the bounds of the ligand space known so far and emphasize the intrinsic complementarity of ligand- and structure-based approaches. The molecules described in this work allow us to explore the ligand space around the previously reported molecules in greater detail, leading to insights into their structure-activity relationship. In addition, we also characterized our hits with experimental binding and selectivity data and discussed it based on their putative binding modes derived by docking

A survey of chemical information systems

A survey of the features, functions, and characteristics of a fairly wide variety of chemical information storage and retrieval systems currently in operation is given. The types of systems (together with an identification of the specific systems) addressed within this survey are as follows: patents and bibliographies (Derwent's Patent System; IFI Comprehensive Database; PULSAR); pharmacology and toxicology (Chemfile; PAGODE; CBF; HEEDA; NAPRALERT; MAACS); the chemical information system (CAS Chemical Registry System; SANSS; MSSS; CSEARCH; GINA; NMRLIT; CRYST; XTAL; PDSM; CAISF; RTECS Search System; AQUATOX; WDROP; OHMTADS; MLAB; Chemlab); spectra (OCETH; ASTM); crystals (CRYSRC); and physical properties (DETHERM). Summary characteristics and current trends in chemical information systems development are also examined

Éléments sur la transition vers du capital bas carbone

This thesis shows that while greenhouse gases are a stock pollution that imposes a shadow carbon cost that increases over time, it may be socially desirable to invest now in the deployment of expensive emission-reduction measures. This results solely from taking into account inertia inherent to the accumulation of low-carbon capital, in the absence of any other market imperfection. This thesis also covers the choice of policy instruments that imperfect governments can use to ensure the market implement these investments. It suggests that if governments cannot commit credibly to a carbon price path, or cannot fully compensate the losers from the introduction of a carbon price, then sector-scale policy instruments that incentivize investment in clean capital may be more effective and more acceptable than the carbon priceCette thèse montre que bien que les gaz à effet de serre (GES) représentent une pollution de stock qui impose un cout virtuel du carbone croissant dans le temps, il peut être socialement désirable d'investir des maintenant dans le déploiement de mesures couteuses de réductions d'émissions de GES. Ce résultat découle uniquement de la prise en compte de l'inertie inhérente à l'accumulation de capital bas carbone, en l'absence de toute autre imperfection de marché. De plus, cette thèse montre que des gouvernements imparfaits (c'est-à-dire qui ne peuvent pas s'engager sur une trajectoire parfaitement crédible de prix du carbone, ou ne peuvent pas compenser parfaitement les perdants de la mise en place de ce prix) peuvent avoir intérêt à utiliser des instruments de politiques sectoriels qui influencent directement les décisions d'investissements. Ces instruments peuvent être plus effectifs et plus acceptables que le prix du carbon

A Survey on Graph Kernels

Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We describe and categorize graph kernels based on properties inherent to their design, such as the nature of their extracted graph features, their method of computation and their applicability to problems in practice. In an extensive experimental evaluation, we study the classification accuracy of a large suite of graph kernels on established benchmarks as well as new datasets. We compare the performance of popular kernels with several baseline methods and study the effect of applying a Gaussian RBF kernel to the metric induced by a graph kernel. In doing so, we find that simple baselines become competitive after this transformation on some datasets. Moreover, we study the extent to which existing graph kernels agree in their predictions (and prediction errors) and obtain a data-driven categorization of kernels as result. Finally, based on our experimental results, we derive a practitioner's guide to kernel-based graph classification

SYNERGY OF BUILDING CYBERSECURITY SYSTEMS

The development of the modern world community is closely related to advances in computing resources and cyberspace. The formation and expansion of the range of services is based on the achievements of mankind in the field of high technologies. However, the rapid growth of computing resources, the emergence of a full-scale quantum computer tightens the requirements for security systems not only for information and communication systems, but also for cyber-physical systems and technologies. The methodological foundations of building security systems for critical infrastructure facilities based on modeling the processes of behavior of antagonistic agents in security systems are discussed in the first chapter. The concept of information security in social networks, based on mathematical models of data protection, taking into account the influence of specific parameters of the social network, the effects on the network are proposed in second chapter. The nonlinear relationships of the parameters of the defense system, attacks, social networks, as well as the influence of individual characteristics of users and the nature of the relationships between them, takes into account. In the third section, practical aspects of the methodology for constructing post-quantum algorithms for asymmetric McEliece and Niederreiter cryptosystems on algebraic codes (elliptic and modified elliptic codes), their mathematical models and practical algorithms are considered. Hybrid crypto-code constructions of McEliece and Niederreiter on defective codes are proposed. They can significantly reduce the energy costs for implementation, while ensuring the required level of cryptographic strength of the system as a whole. The concept of security of corporate information and educational systems based on the construction of an adaptive information security system is proposed. ISBN 978-617-7319-31-2 (on-line)ISBN 978-617-7319-32-9 (print) ------------------------------------------------------------------------------------------------------------------ How to Cite: Yevseiev, S., Ponomarenko, V., Laptiev, O., Milov, O., Korol, O., Milevskyi, S. et. al.; Yevseiev, S., Ponomarenko, V., Laptiev, O., Milov, O. (Eds.) (2021). Synergy of building cybersecurity systems. Kharkiv: РС ТЕСHNOLOGY СЕNTЕR, 188. doi: http://doi.org/10.15587/978-617-7319-31-2 ------------------------------------------------------------------------------------------------------------------ Indexing:                    Розвиток сучасної світової спільноти тісно пов’язаний з досягненнями в області обчислювальних ресурсів і кіберпростору. Формування та розширення асортименту послуг базується на досягненнях людства у галузі високих технологій. Однак стрімке зростання обчислювальних ресурсів, поява повномасштабного квантового комп’ютера посилює вимоги до систем безпеки не тільки інформаційно-комунікаційних, але і до кіберфізичних систем і технологій. У першому розділі обговорюються методологічні основи побудови систем безпеки для об'єктів критичної інфраструктури на основі моделювання процесів поведінки антагоністичних агентів у систем безпеки. У другому розділі пропонується концепція інформаційної безпеки в соціальних мережах, яка заснована на математичних моделях захисту даних, з урахуванням впливу конкретних параметрів соціальної мережі та наслідків для неї. Враховуються нелінійні взаємозв'язки параметрів системи захисту, атак, соціальних мереж, а також вплив індивідуальних характеристик користувачів і характеру взаємовідносин між ними. У третьому розділі розглядаються практичні аспекти методології побудови постквантових алгоритмів для асиметричних криптосистем Мак-Еліса та Нідеррейтера на алгебраїчних кодах (еліптичних та модифікованих еліптичних кодах), їх математичні моделі та практичні алгоритми. Запропоновано гібридні конструкції криптокоду Мак-Еліса та Нідеррейтера на дефектних кодах. Вони дозволяють істотно знизити енергетичні витрати на реалізацію, забезпечуючи при цьому необхідний рівень криптографічної стійкості системи в цілому. Запропоновано концепцію безпеки корпоративних інформаційних та освітніх систем, які засновані на побудові адаптивної системи захисту інформації. ISBN 978-617-7319-31-2 (on-line)ISBN 978-617-7319-32-9 (print) ------------------------------------------------------------------------------------------------------------------ Як цитувати: Yevseiev, S., Ponomarenko, V., Laptiev, O., Milov, O., Korol, O., Milevskyi, S. et. al.; Yevseiev, S., Ponomarenko, V., Laptiev, O., Milov, O. (Eds.) (2021). Synergy of building cybersecurity systems. Kharkiv: РС ТЕСHNOLOGY СЕNTЕR, 188. doi: http://doi.org/10.15587/978-617-7319-31-2 ------------------------------------------------------------------------------------------------------------------ Індексація:                 &nbsp

Essays on the Economics of Regional Climate Policy

This cumulative dissertation quantifies the economic effects of regional climate policy. The regional scale of the analyses covers the state and national level. It consists of three papers, each of which is a chapter of the dissertation. The first paper introduces the first theory based and consistent non-survey regionalization method for national Input-Output tables. It can be regarded as a supplemental paper in order to create the data base for the second paper. The second paper quantifies the income and employment effects of the renewable energy expansion plans of the state of Schleswig-Holstein for the year 2030 by means of a computable general equilibrium (CGE) analysis. Finally, the third paper assesses the optimal national carbon price floor levels for individual EU countries within the European Union Emissions Trading System (EU ETS)