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Journal articles on the topic 'Reaction rules'

Author: Grafiati

Published: 25 May 2024

Last updated: 31 July 2025

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1

ZHDANOV, VLADIMIR P. "BORESKOV–HORIUTI–ENOMOTO RULES FOR REVERSIBLE HETEROGENEOUS CATALYTIC REACTIONS." Surface Review and Letters 14, no. 03 (2007): 419–24. http://dx.doi.org/10.1142/s0218625x0700958x.

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In the middle of the previous century, G. K. Boreskov, and J. Horiuti and S. Enomoto independently showed that for reversible reactions, running via a one-route mechanism with a rate-limiting step, there exist general relationships between the reaction rates in the forward and backward directions and also between the corresponding apparent activation energies and reaction heat. Their treatments are formally applicable to gas- and liquid-phase reactions and also to heterogeneous catalytic reactions (HCR) occurring in an ideal overlayer adsorbed on a uniform surface. In reality, HCR often run on

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2

Fuji, Taiki, Shiori Nakazawa, and Kiyoto Ito. "Feasible-metabolic-pathway-exploration technique using chemical latent space." Bioinformatics 36, Supplement_2 (2020): i770—i778. http://dx.doi.org/10.1093/bioinformatics/btaa809.

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Abstract Motivation Exploring metabolic pathways is one of the key techniques for developing highly productive microbes for the bioproduction of chemical compounds. To explore feasible pathways, not only examining a combination of well-known enzymatic reactions but also finding potential enzymatic reactions that can catalyze the desired structural changes are necessary. To achieve this, most conventional techniques use manually predefined-reaction rules, however, they cannot sufficiently find potential reactions because the conventional rules cannot comprehensively express structural changes b

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3

Rodger, Alison, and Pieter E. Schipper. "Symmetry selection rules for reaction mechanisms." Chemical Physics 107, no. 2-3 (1986): 329–42. http://dx.doi.org/10.1016/0301-0104(86)85011-x.

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4

Yang, Kun, Zemin Tian, Jinghua Li, and Yingwen Yan. "Theoretical Investigation of Rate Rules for H-Intermigration Reactions for Cyclic Alkylperoxy Radicals." Energies 16, no. 6 (2023): 2881. http://dx.doi.org/10.3390/en16062881.

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As a starting channel, the H-intermigration reaction of alkylperoxy radicals (ROO radicals) that yields hydroperoxyl alkyl radicals (QOOH radicals) determines the low-temperature chemistry of alkanes. In this work, this type of reaction was investigated for typical cyclic alkanes, which are important fuel components and soot precursors, using theoretical ab initio methods. First, all the molecular geometries and vibrational frequencies were computed using the density functional theory method and the single point energies were refined using the post-Hartree fork method (M062X/6-311G(d,p)//DLPNO

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5

Liu, Shuqin, Xican Li, Ban Chen, Xiaojian Ouyang, Yulu Xie, and Dongfeng Chen. "Phytophenol Dimerization Reaction: From Basic Rules to Diastereoselectivity and Beyond." Molecules 27, no. 15 (2022): 4842. http://dx.doi.org/10.3390/molecules27154842.

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Phytophenol dimerization, which is a radical-mediated coupling reaction, plays a critical role in many fields, including lignin biosynthesis. To understand the reaction, 2,2-diphenyl-1-picrylhydrazyl radical was used to initiate a series of phytophenol dimerization reactions in methanol. The products were identified using ultra-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (UHPLC-ESI-Q-TOF-MS/MS) analysis in situ. The identified products mainly included biphenols, magnolol, honokiol, gingerol 6,6′-dimers, 3,6-dimethoxy

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6

Wang, Lin, Chiam Yu Ng, Satyakam Dash, and Costas D. Maranas. "Exploring the combinatorial space of complete pathways to chemicals." Biochemical Society Transactions 46, no. 3 (2018): 513–22. http://dx.doi.org/10.1042/bst20170272.

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Computational pathway design tools often face the challenges of balancing the stoichiometry of co-metabolites and cofactors, and dealing with reaction rule utilization in a single workflow. To this end, we provide an overview of two complementary stoichiometry-based pathway design tools optStoic and novoStoic developed in our group to tackle these challenges. optStoic is designed to determine the stoichiometry of overall conversion first which optimizes a performance criterion (e.g. high carbon/energy efficiency) and ensures a comprehensive search of co-metabolites and cofactors. The procedure

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7

Kellman, Benjamin P., Yujie Zhang, Emma Logomasini, et al. "A consensus-based and readable extension of Linear Code for Reaction Rules (LiCoRR)." Beilstein Journal of Organic Chemistry 16 (October 27, 2020): 2645–62. http://dx.doi.org/10.3762/bjoc.16.215.

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Systems glycobiology aims to provide models and analysis tools that account for the biosynthesis, regulation, and interactions with glycoconjugates. To facilitate these methods, there is a need for a clear glycan representation accessible to both computers and humans. Linear Code, a linearized and readily parsable glycan structure representation, is such a language. For this reason, Linear Code was adapted to represent reaction rules, but the syntax has drifted from its original description to accommodate new and originally unforeseen challenges. Here, we delineate the consensuses and inconsis

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8

Hulick, Victoria P. "Proxy voting: the rules and industry reaction." Journal of Investment Compliance 3, no. 4 (2002): 31–35. http://dx.doi.org/10.1108/joic.2003.3.4.31.

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9

Hulick, Victoria P. "Proxy voting: the rules and industry reaction." Journal of Investment Compliance 3, no. 4 (2003): 31–35. http://dx.doi.org/10.1108/15285810210812880.

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10

Manolopoulos, D. E. "REACTION DYNAMICS: Bending or Breaking the Rules?" Science 296, no. 5568 (2002): 664. http://dx.doi.org/10.1126/science.1071814.

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11

Niégawa, A. "Calculational rules for finite temperature reaction rates." Physics Letters B 247, no. 2-3 (1990): 351–56. http://dx.doi.org/10.1016/0370-2693(90)90908-o.

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12

Cao, Jun. "Nuclear reaction rules out sterile-neutrino hypothesis." Nature 613, no. 7943 (2023): 248–49. http://dx.doi.org/10.1038/d41586-022-04581-9.

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13

Meuwly, Markus. "Reaction Dynamics: Rules Change with Molecular Size." ChemPhysChem 13, no. 3 (2012): 684–85. http://dx.doi.org/10.1002/cphc.201100936.

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14

Cai, Liming, and Heinz Pitsch. "Mechanism optimization based on reaction rate rules." Combustion and Flame 161, no. 2 (2014): 405–15. http://dx.doi.org/10.1016/j.combustflame.2013.08.024.

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15

Yao, Xiaoxia, Jilong Zhang, and Yifei Zhu. "A Theoretical Kinetic Study on Concerted Elimination Reaction Class of Peroxyl-hydroperoxyl-alkyl Radicals (•OOQOOH) in Normal-alkyl Cyclohexanes." Molecules 28, no. 18 (2023): 6612. http://dx.doi.org/10.3390/molecules28186612.

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The concerted elimination reaction class of peroxyl-hydroperoxyl alkyl radicals (•OOQOOH) plays a crucial role in the low-temperature combustion of normal-alkyl cyclohexanes. The generation of the relatively unreactive HO2 radicals in this reaction is one of the factors leading to the negative temperature coefficient (NTC) behavior, which hinders the low-temperature oxidation of normal-alkyl cyclohexanes. In this study, 44 reactions are selected and divided into 4 different subclasses according to the nature of the carbon atom where the H atom is eliminated and the reaction center position. Ut

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16

Ponec, Robert. "Topological aspects of chemical reactivity. Reorganisation of electron density in allowed and forbidden reactions." Collection of Czechoslovak Chemical Communications 50, no. 5 (1985): 1121–32. http://dx.doi.org/10.1135/cccc19851121.

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The selection rules in chemical reactivity are discussed from the point of view of the differences in the character of the electron density reorganisation in allowed and forbidden reactions. It was shown that the allowed reactions are characterized by the maximum conservation of electron pairing along the whole reaction path. On the other hand for the forbidden reactions a critical point lies on the corresponding concerted reaction coordinate in which one electron pair is completely splitted.

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17

Schipper, Pieter E. "Generalized selection rules for reaction mechanisms: electronic control and the Woodward-Hoffmann rules." Journal of Physical Chemistry 92, no. 1 (1988): 122–30. http://dx.doi.org/10.1021/j100312a027.

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18

ADAMATZKY, ANDREW, GENARO JUÁREZ MARTÍNEZ, and JUAN CARLOS SECK TUOH MORA. "PHENOMENOLOGY OF REACTION–DIFFUSION BINARY-STATE CELLULAR AUTOMATA." International Journal of Bifurcation and Chaos 16, no. 10 (2006): 2985–3005. http://dx.doi.org/10.1142/s0218127406016598.

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We study a binary-cell-state eight-cell neighborhood two-dimensional cellular automaton model of a quasi-chemical system with a substrate and a reagent. Reactions are represented by semi-totalistic transitions rules: every cell switches from state 0 to state 1 depending on if the sum of neighbors in state 1 belongs to some specified interval, cell remains in state 1 if the sum of neighbors in state 1 belong to another specified interval. We investigate space-time dynamics of 1296 automata, establish morphology-bases classification of the rules, explore precipitating and excitatory cases and sc

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19

Roversi, Corrado. "In defence of constitutive rules." Synthese 199, no. 5-6 (2021): 14349–70. http://dx.doi.org/10.1007/s11229-021-03424-w.

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AbstractAlthough the notion of constitutive rule has played an important role in the metaphysical debate in social and legal philosophy, several authors perceive it as somewhat mysterious and ambiguous: the idea of a specific kind of rules that are supposed to be “magically” constitutive of reality seems suspicious, more a rationalistic fiction than a genuine explanation. For these reasons, reductionist approaches have been put forward to deflate the explanatory role of this notion. In this paper, I will instead try to defend constitutive rules. My thesis is that the notion of constitutive rul

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20

Liang, Jiankun, De Li, Xiao Zhong, et al. "Crosslinking Mechanism of Tannin-Based Adhesives Based on Model Compounds: Copolycondensation of Resorcinol with Dimethylol Urea." Forests 15, no. 1 (2024): 98. http://dx.doi.org/10.3390/f15010098.

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This study focuses on the competition reaction rules of a system containing resorcinol (as a tannin model compound) and dimethylol urea (as a urea–formaldehyde resin model compound) under various alkaline and acidic environments. The aim is to investigate the crosslinked modification mechanism of urea–formaldehyde resin with tannin adhesive. The study delves into the competitive relationship between self-condensation polymerization reactions and co-condensation polymerization reactions. It specifically highlights the conditions for the copolycondensation reaction of dimethylolurea and resorcin

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21

Di Filippo, Marzia, Chiara Damiani, and Dario Pescini. "GPRuler: Metabolic gene-protein-reaction rules automatic reconstruction." PLOS Computational Biology 17, no. 11 (2021): e1009550. http://dx.doi.org/10.1371/journal.pcbi.1009550.

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Metabolic network models are increasingly being used in health care and industry. As a consequence, many tools have been released to automate their reconstruction process de novo. In order to enable gene deletion simulations and integration of gene expression data, these networks must include gene-protein-reaction (GPR) rules, which describe with a Boolean logic relationships between the gene products (e.g., enzyme isoforms or subunits) associated with the catalysis of a given reaction. Nevertheless, the reconstruction of GPRs still remains a largely manual and time consuming process. Aiming a

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22

Burger, Philippe, and Marina Marinkov. "Fiscal rules and regime-dependent fiscal reaction functions." OECD Journal on Budgeting 12, no. 1 (2012): 1–29. http://dx.doi.org/10.1787/budget-12-5k9czxjth7tg.

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23

Alhazov, Artiom, Erzsébet Csuhaj-Varjú, and Pramod Kumar Sethy. "Generalized Distributed Reaction Systems." Computer Science Journal of Moldova 32, no. 3(96) (2024): 315–31. https://doi.org/10.56415/csjm.v32.17.

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In this paper, we introduce the notion of a generalized distributed reaction system with computations following the concept of the original reaction system: the resulting products in the individual components are obtained by applying rules which take into account the objects in the components of the system as reactants and inhibitors and yield results in specified components of the system. As specific variants, we investigate (i) generalized distributed reaction systems which look at all components for the presence or absence of objects, but the resulting products are only produced in the comp

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24

Lerma-Ortiz, Claudia, James G. Jeffryes, Arthur J. L. Cooper, et al. "‘Nothing of chemistry disappears in biology’: the Top 30 damage-prone endogenous metabolites." Biochemical Society Transactions 44, no. 3 (2016): 961–71. http://dx.doi.org/10.1042/bst20160073.

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Many common metabolites are intrinsically unstable and reactive, and hence prone to chemical (i.e. non-enzymatic) damage in vivo. Although this fact is widely recognized, the purely chemical side-reactions of metabolic intermediates can be surprisingly hard to track down in the literature and are often treated in an unprioritized case-by-case way. Moreover, spontaneous chemical side-reactions tend to be overshadowed today by side-reactions mediated by promiscuous (‘sloppy’) enzymes even though chemical damage to metabolites may be even more prevalent than damage from enzyme sloppiness, has sim

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25

Röse, Peter, and Johann Gasteiger. "Automated derivation of reaction rules for the EROS 6.0 system for reaction prediction." Analytica Chimica Acta 235 (1990): 163–68. http://dx.doi.org/10.1016/s0003-2670(00)82071-1.

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26

Song, Chun Lian, Shao Gang Pi, Chuan Song Wang, and Mei Duo Liu. "Reactive Process Research of Cornstalk Hydrolysis to Sugar on Micro-Stream Discharge." Advanced Materials Research 233-235 (May 2011): 785–88. http://dx.doi.org/10.4028/www.scientific.net/amr.233-235.785.

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In order to further study the mechanism of hydrolysis reactions to sugars using cornstalk on plasma, preliminary study of reactive process are carried out. Model compounds of cornstalk components are chosen and hydrolyzed on plasma. Activation energy of elementary reactions, which are single-molecule reactions, free radical reactions and bimolecular reactions, are calculated by bond energy percentage rules. Elementary reactions and preliminary reaction mechanism model, which cornstalk hydrolyzes to sugars on plasma are identified.

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27

Jiang, Yinjie, Ying WEI, Fei Wu, Zhengxing Huang, Kun Kuang, and Zhihua Wang. "Learning Chemical Rules of Retrosynthesis with Pre-training." Proceedings of the AAAI Conference on Artificial Intelligence 37, no. 4 (2023): 5113–21. http://dx.doi.org/10.1609/aaai.v37i4.25640.

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Retrosynthesis aided by artificial intelligence has been a very active and bourgeoning area of research, for its critical role in drug discovery as well as material science. Three categories of solutions, i.e., template-based, template-free, and semi-template methods, constitute mainstream solutions to this problem. In this paper, we focus on template-free methods which are known to be less bothered by the template generalization issue and the atom mapping challenge. Among several remaining problems regarding template-free methods, failing to conform to chemical rules is pronounced. To address

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28

Ponec, Robert, and Martin Strnad. "The Least Motion Principle, Concertedness and the Mechanisms of Pericyclic Reactions. A Similarity Approach." Collection of Czechoslovak Chemical Communications 59, no. 1 (1994): 75–88. http://dx.doi.org/10.1135/cccc19940075.

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The recently proposed topological criterion of concertedness was complemented by a procedure allowing the variational determination of reaction paths characterizing the detailed course of bonding reorganization in modified More O'Ferrall diagrams. The proposed approach, allowing the simple unequivocal classification of reaction mechanisms is demonstrated with examples of several selected pericyclic reactions, both forbidden and allowed. The mechanistic conclusions obtained are in qualitative agreement with the predictions based on expectations from Woodward-Hoffmann rules and independent theor

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29

Jencks, William P. "The mechanism of coupling chemical and physical reactions by the calcium ATPase of sarcoplasmic reticulum and other coupled vectorial systems." Bioscience Reports 15, no. 5 (1995): 283–87. http://dx.doi.org/10.1007/bf01788360.

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The coupling of the chemical reaction of ATP hydrolysis to the transport of calcium from the cytoplasm into the lumen of sarcoplasmic reticulum vesicles can be defined by a set of rules that define alternating changes in the specificities of the enzyme for catalysis of chemical and physical reactions.

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30

Papacharalambous, Nick, Happi Patrick, Clyde Posey, and T. Hillman Willis. "Industry Reaction To New Capitalization Rules: An Empirical Study." Journal of Applied Business Research (JABR) 6, no. 4 (2011): 10. http://dx.doi.org/10.19030/jabr.v6i4.6271.

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According to the new Internal Revenue Code Section 263-A, businesses with sales of more than $10 million are now required to capitalize more cost into inventory than ever before. This paper analyzes the implementation of the new requirements and then presents the results of a survey of 100 of the largest industrial firms concerning the new procedures.

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31

Duigou, Thomas, Melchior du Lac, Pablo Carbonell, and Jean-Loup Faulon. "RetroRules: a database of reaction rules for engineering biology." Nucleic Acids Research 47, no. D1 (2018): D1229—D1235. http://dx.doi.org/10.1093/nar/gky940.

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32

Sharda, H., R. K. Bansal, and Ashwani Kumar. "Application of dipole sum rules to transfer reaction strengths." European Physical Journal A 10, no. 3 (2001): 295–302. http://dx.doi.org/10.1007/s100500170115.

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33

Yeung, Shie Yee Au, and Arthur W. Hofman. "Recent Developments in the Dutch Loss Carry Over Restrictions for Holding and Intercompany Financing Entities." Intertax 44, Issue 6/7 (2016): 559–63. http://dx.doi.org/10.54648/taxi2016045.

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Based on Dutch tax law, losses resulting from holding and financing activities are ring-fenced in such a way that these losses can only be offset against profits derived from similar activities. Recently, two developments took place with regard to those rules. First, the Dutch tax law was changed in reaction on a verdict of the Dutch Supreme Court. Second, the European Court of Justice (ECJ) ruled a verdict that could have an impact on the rules. In this article, the authors describe those developments and they discuss the current scope of the relevant Dutch legislation.

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34

Jaque, Pablo, José V. Correa, Frank De Proft, Alejandro Toro-Labbé, and Paul Geerlings. "Regaining the Woodward–Hoffmann rules for chelotropic reactions via conceptual DFT." Canadian Journal of Chemistry 88, no. 8 (2010): 858–65. http://dx.doi.org/10.1139/v10-049.

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In our continuous effort to retrieve the Woodward–Hoffmann rules from conceptual density functional theory (DFT), we have examined the last type of pericyclic reactions, i.e., chelotropic reactions. Both the initial hardness response and the dual descriptor have been investigated to predict the allowed and forbidden character for the addition of SO2 to butadiene (4n system) and 1,3,5-hexatriene (4n + 2 system). It is shown that with both electronic descriptors, the conrotatory/disrotatory mode for the linear and nonlinear mechanisms are retrieved based on a density-only approach, free from con

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35

Liu, Chuang, Linan Fan, Zhou Liu, Xiang Dai, Jiamei Xu, and Baoren Chang. "Community detection in complex networks by using membrane algorithm." International Journal of Modern Physics C 29, no. 01 (2018): 1850003. http://dx.doi.org/10.1142/s0129183118500031.

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Community detection in complex networks is a key problem of network analysis. In this paper, a new membrane algorithm is proposed to solve the community detection in complex networks. The proposed algorithm is based on membrane systems, which consists of objects, reaction rules, and a membrane structure. Each object represents a candidate partition of a complex network, and the quality of objects is evaluated according to network modularity. The reaction rules include evolutionary rules and communication rules. Evolutionary rules are responsible for improving the quality of objects, which empl

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36

Niégawa, A., and K. Takashiba. "Transition rates of reactions in the microcanonical ensemble and the finite-size effect." Canadian Journal of Physics 71, no. 5-6 (1993): 276–79. http://dx.doi.org/10.1139/p93-044.

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The calculational rules of a transition rate of a generic reaction taking place in a closed system are found. The rules are formulated in terms of the free energy of the system and the transition rate of the reaction in a finite temperature system. It is found that, in some kinematical regions, the finite-size effect is much larger than naively expected.

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37

Arai, Naoki, Shunsuke Yoshikawa, Nobuaki Yasuo, Ryunosuke Yoshino, and Masakazu Sekijima. "Compound property enhancement by virtual compound synthesis." Journal of Bioinformatics and Computational Biology 16, no. 03 (2018): 1840016. http://dx.doi.org/10.1142/s0219720018400164.

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During drug discovery, drug candidates are narrowed down over several steps to develop pharmaceutical products. The theoretical chemical space in such steps is estimated to be [Formula: see text]. To cover that space, extensive virtual compound libraries have been developed; however, the compilation of extensive libraries comes at large computational cost. Thus, to reduce the computational cost, researchers have constructed custom-made virtual compound libraries that focus on target diseases. In this study, we develop a system that generates virtual compound libraries from input compounds. Whe

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38

Pfajfar, Damjan, and Blaž Žakelj. "INFLATION EXPECTATIONS AND MONETARY POLICY DESIGN: EVIDENCE FROM THE LABORATORY." Macroeconomic Dynamics 22, no. 4 (2016): 1035–75. http://dx.doi.org/10.1017/s1365100516000560.

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Using laboratory experiments within a New Keynesian framework, we explore the interaction between the formation of inflation expectations and monetary policy design. The central question in this paper is how to design monetary policy when expectations formation is not perfectly rational. Instrumental rules that use actual rather than forecasted inflation produce lower inflation variability and reduce expectational cycles. A forward-looking Taylor rule where a reaction coefficient equals 4 produces lower inflation variability than rules with reaction coefficients of 1.5 and 1.35. Inflation vari

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39

Deng, Haibo, Hao Zhang, Zelong Wu, Xiuzhi Tian, Xue Jiang, and Weimin Guo. "Rules and mechanism for the oxidation of lignin-based aromatic aldehyde under alkaline wet oxygen." BioResources 15, no. 2 (2020): 3487–503. http://dx.doi.org/10.15376/biores.15.2.3487-3503.

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To explore the extensive oxidative mechanism of syringaldehyde, vanillin, and p-hydroxybenzaldehyde during the alkaline wet oxidation process (AWOP), the yield of these aromatic aldehydes from AWOP at various temperatures and reaction times was studied. The results showed that the aromatic aldehydes could not be converted into the corresponding aromatic acids during the AWOP, and that the aromatic aldehyde was stable when subjected to the oxygen-free AWOP. However, as the reaction temperature increased or the number of methoxyl groups on the aromatic ring increased, the yield of aromatic aldeh

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40

Steinbrück, Dörte, Claudia Rasch, and Michael U. Kumke. "Photophysics of Ochratoxin A in Aqueous Solution." Zeitschrift für Naturforschung B 63, no. 11 (2008): 1321–26. http://dx.doi.org/10.1515/znb-2008-1111.

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Abstract The photophysics of Ochratoxin A (OTA) in aqueous solution strongly depends on the pH. Due to its molecular structure OTA is prone to an excited state proton transfer reaction, which rules the photophysical properties. Based on results of absorption and fluorescence measurements the rate constants of the proton transfer reactions (forward and back reaction) were determined and subsequently, the pK*a value was calculated. Based on the results, optimized experimental conditions for the analysis can be determined e. solvent conditions (HPLC chromatography) or excitation and emission wave

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41

Babai, R., T. Levyadun, R. Stavy, and D. Tirosh. "Intuitive rules in science and mathematics: a reaction time study." International Journal of Mathematical Education in Science and Technology 37, no. 8 (2006): 913–24. http://dx.doi.org/10.1080/00207390600794958.

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42

Kosmas, T. S., та J. D. Vergados. "Sum rules for the inclusive μ−e conversion exotic reaction". Physics Letters B 217, № 1-2 (1989): 19–24. http://dx.doi.org/10.1016/0370-2693(89)91508-6.

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43

Manolopoulos, David E. "ChemInform Abstract: Perspectives-Reaction Dynamics: Bending or Breaking the Rules?" ChemInform 33, no. 25 (2010): no. http://dx.doi.org/10.1002/chin.200225272.

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44

Cai, Liming, Heinz Pitsch, Samah Y. Mohamed, et al. "Optimized reaction mechanism rate rules for ignition of normal alkanes." Combustion and Flame 173 (November 2016): 468–82. http://dx.doi.org/10.1016/j.combustflame.2016.04.022.

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45

ROESE, P., and J. GASTEIGER. "ChemInform Abstract: Automated Derivation of Reaction Rules for the EROS 6.0 System for Reaction Prediction." ChemInform 22, no. 7 (2010): no. http://dx.doi.org/10.1002/chin.199107360.

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46

Schwaller, Philippe, Benjamin Hoover, Jean-Louis Reymond, Hendrik Strobelt, and Teodoro Laino. "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions." Science Advances 7, no. 15 (2021): eabe4166. http://dx.doi.org/10.1126/sciadv.abe4166.

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Humans use different domain languages to represent, explore, and communicate scientific concepts. During the last few hundred years, chemists compiled the language of chemical synthesis inferring a series of “reaction rules” from knowing how atoms rearrange during a chemical transformation, a process called atom-mapping. Atom-mapping is a laborious experimental task and, when tackled with computational methods, requires continuous annotation of chemical reactions and the extension of logically consistent directives. Here, we demonstrate that Transformer Neural Networks learn atom-mapping infor

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47

Stengler, Jana, Julius Weiss, and Marc Linder. "Analysis of a Lab-Scale Heat Transformation Demonstrator Based on a Gas–Solid Reaction." Energies 12, no. 12 (2019): 2234. http://dx.doi.org/10.3390/en12122234.

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Heat transformation based on reversible chemical reactions has gained significant interest due to the high achievable output temperatures. This specific type of chemical heat pump uses a reversible gas–solid reaction, with the back and forward reactions taking place at different temperatures: by running the exothermic discharge reaction at a higher temperature than the endothermic charge reaction, the released heat is thermally upgraded. In this work, we report on the experimental investigation of the hydration reaction of strontium bromide (SrBr2) with regard to its use for heat transformatio

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48

BIANCO, LUCA, FEDERICO FONTANA, and VINCENZO MANCA. "P SYSTEMS WITH REACTION MAPS." International Journal of Foundations of Computer Science 17, no. 01 (2006): 27–48. http://dx.doi.org/10.1142/s0129054106003681.

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Some recent types of membrane systems have shown their potential in the modelling of specific processes governing biological cell behavior. These models represent the cell as a huge and complex dynamical system in which quantitative aspects, such as biochemical concentrations, must be related to the discrete informational nature of the DNA and to the function of the organelles living in the cytosol. In an effort to compute dynamical (especially oscillatory) phenomena—so far mostly treated using differential mathematical tools—by means of rewriting rules, we have enriched a known family of memb

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Vinatoru, Mircea, and Timothy J. Mason. "Jean-Louis Luche and the Interpretation of Sonochemical Reaction Mechanisms." Molecules 26, no. 3 (2021): 755. http://dx.doi.org/10.3390/molecules26030755.

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Sonochemistry can be broadly defined as the science of chemical and physical transformations produced under the influence of sound. The use of sound energy is rather a young branch of chemistry and does not have the clear definitive rules of other, more established, divisions such as those in cycloaddition reactions or photochemistry. Nevertheless, there are a few guidelines which can help to predict what is going to happen when a reaction mixture is submitted to ultrasonic irradiation. Jean-Louis Luche, formulated some ideas of the mechanistic pathways involved in sonochemistry more than 30 y

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Mitašík, Peter, Ladislava Doležajová, and Anton Lednický. "Intraindividual Evaluation of Reaction Time at the Women’s World Athletics Championships 1999 – 2019." Acta Facultatis Educationis Physicae Universitatis Comenianae 61, no. 2 (2021): 203–13. http://dx.doi.org/10.2478/afepuc-2021-0017.

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Summary The aim of the article was the intraindividual evaluation of reaction time at the Women’s World Athletics Championships from 1999 to 2019.We generated the rating of sprinters from the age point of view with comparison of two periods with different false start rules. In the result section, we analysed the sprinters that took part at World Championships (WCH) at least 3 times and appeared in the final. We assessed the reaction speed from the ageing point of view, or more precisely with the changing conditions when judging the false start. The results confirm that the stricter start judgi

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