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Journal articles on the topic 'Coupling methodologies'

Author: Grafiati

Published: 18 May 2024

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1

Brandmeyer, Jo Ellen, and Hassan A. Karimi. "Coupling methodologies for environmental models." Environmental Modelling & Software 15, no. 5 (July 2000): 479–88. http://dx.doi.org/10.1016/s1364-8152(00)00027-x.

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2

Tollit, Brendan, Alan Charles, William Poole, Andrew Cox, Glynn Hosking, Ben Lindley, Peter Smith, Andy Smethurst, and Jean Lavarenne. "WHOLE CORE COUPLING METHODOLOGIES WITHIN WIMS." EPJ Web of Conferences 247 (2021): 06006. http://dx.doi.org/10.1051/epjconf/202124706006.

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The ANSWERS® WIMS reactor physics code is being developed for whole core multiphysics modelling. The established neutronics capability for lattice calculations has recently been extended to be suitable for whole core modelling of Small Modular Reactors (SMRs). A whole core transport, SP3 or diffusion flux solution is combined with fuel assembly resonance shielding and pin-by-pin differential depletion. An integrated thermal hydraulic solver permits differential temperature and density variations to feedback to the neutronics calculation. This paper presents new methodology developed in WIMS to couple the core neutronics to the integrated core thermal hydraulics solver. Two coupling routes are presented and compared using a challenging PWR SMR benchmark. The first route, called GEOM, dynamically calculates the resonance shielding and homogenisation with the whole core flux solution. The second coupling route, called CAMELOT, separates the resonance shielding and pincell homogenisation from the whole core solution via generating tabulated cross sections. Both routes can use the MERLIN homogenised pin-by-pin whole core flux solver and couple to the same integrated thermal hydraulic solver, called ARTHUR. Heterogeneous differences between the neutronics and thermal hydraulics are mapped via thermal identifiers for neutronics materials and thermal regions. The ability for the integrated thermal hydraulic solver to call an external code via a Fortran-C-Python (FCP) interface is also summarised. This flexible external coupling permits one way coupling to an external fuel performance code or two way coupling to an external thermal hydraulic code.

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3

Ribas, Xavi, and Imma Güell. "Cu(I)/Cu(III) catalytic cycle involved in Ullmann-type cross-coupling reactions." Pure and Applied Chemistry 86, no. 3 (March 20, 2014): 345–60. http://dx.doi.org/10.1515/pac-2013-1104.

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Abstract Copper-catalyzed cross-coupling reactions for C–heteroatom bond formation have attracted numerous research groups in the past 15 years aiming at finding more efficient methodologies under milder conditions. The use of auxiliary ligands has tremendously improved Ullmann-type couplings although a general methodology for different heteroatom-nucleophiles is still lacking. Mechanistic insights are seen as a clue for designing new effective, broad-scope and general methodologies. In this review we describe the widely discussed mechanistic options for this reaction and the use of model compounds to unravel key mechanistic aspects for copper-catalyzed C–heteroatom transformations. Stable aryl-Cu(III) species in model systems are shown to be reliable active catalysts in the coupling of a broad nucleophile scope such as phenols, amides, sulfides, selenides, phosphites, halides and also activated methylene susbtrates for carbon–carbon couplings.

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4

Farhi, Jonathan, Ioannis N. Lykakis, and George E. Kostakis. "Metal-Catalysed A3 Coupling Methodologies: Classification and Visualisation." Catalysts 12, no. 6 (June 15, 2022): 660. http://dx.doi.org/10.3390/catal12060660.

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The multicomponent reaction of aldehydes, amines, and alkynes, known as A3 coupling, yields propargylamines, a valuable organic scaffold, and has received significant interest and attention in the last years. In order to fully realise the potential of the metal-based catalytic protocols that facilitate this transformation, we summarise substrates, in situ and well-characterised synthetic methods that provide this scaffold and attempt a monumental classification considering several variables (Metal, Coordinating atom(s), Ligand type and name, in-situ or well-characterised, co-catalyst, catalyst and ligand Loading (mol%), solvent, volume, atmosphere, temperature, microwave, time, yield, selectivity (e.e. d.r.), substrate name, functionality, loading (amines, aldehydes, alkynes), and use of molecular sieves). This pioneering work creates a valuable database that contains 2376 entries and allows us to produce graphs and better visualise their impact on the reaction.

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5

Hubbard, Amber M., Yixin Ren, Dominik Konkolewicz, Alireza Sarvestani, Catalin R. Picu, Gary S. Kedziora, Ajit Roy, Vikas Varshney, and Dhriti Nepal. "Vitrimer Transition Temperature Identification: Coupling Various Thermomechanical Methodologies." ACS Applied Polymer Materials 3, no. 4 (March 4, 2021): 1756–66. http://dx.doi.org/10.1021/acsapm.0c01290.

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6

Terra, Bruna S., and Fernando Macedo. "Progress in the intermolecular pinacol cross coupling methodologies." Arkivoc 2012, no. 1 (December 11, 2011): 134–51. http://dx.doi.org/10.3998/ark.5550190.0013.104.

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7

Hof, Fraser, Michael Schär, Denise M Scofield, Felix Fischer, François Diederich, and Sergey Sergeyev. "Preparation ofTröger Base Derivatives by Cross-Coupling Methodologies." Helvetica Chimica Acta 88, no. 8 (August 2005): 2333–44. http://dx.doi.org/10.1002/hlca.200590168.

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8

Terra, Bruna S., and Jr Macedo Fernando. "ChemInform Abstract: Progress in Intermolecular Pinacol Cross-Coupling Methodologies." ChemInform 43, no. 16 (March 22, 2012): no. http://dx.doi.org/10.1002/chin.201216251.

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9

Miyake, Garret, Bin Liu, and Chern-Hooi Lim. "Transition-Metal-Free, Visible-Light-Promoted C–S Cross-Coupling through Intermolecular Charge Transfer." Synlett 29, no. 19 (August 8, 2018): 2449–55. http://dx.doi.org/10.1055/s-0037-1610230.

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C–S cross-couplings are an important class of reactions applied across organic synthesis, materials science, and pharmaceuticals. Several different methodologies have been developed to achieve this significant transformation. However, currently available synthetic procedures significantly rely on transition metals. This article describes historical developments in the field of transition-metal-catalyzed C–S cross-coupling reactions, the development of a visible-light-driven and catalyst-free approach to C–S bond formation, and future outlooks.

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10

Andrade, Marta A., and Luísa M. D. R. S. Martins. "New Trends in C–C Cross-Coupling Reactions: The Use of Unconventional Conditions." Molecules 25, no. 23 (November 24, 2020): 5506. http://dx.doi.org/10.3390/molecules25235506.

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The ever-growing interest in the cross-coupling reaction and its applications has increased exponentially in the last decade, owing to its efficiency and effectiveness. Transition metal-mediated cross-couplings reactions, such as Suzuki–Miyaura, Sonogashira, Heck, and others, are powerful tools for carbon–carbon bond formations and have become truly fundamental routes in catalysis, among other fields. Various greener strategies have emerged in recent years, given the widespread popularity of these important reactions. The present review comprises literature from 2015 onward covering the implementation of unconventional methodologies in carbon–carbon (C–C) cross-coupling reactions that embodies a variety of strategies, from the use of alternative energy sources to solvent- free and green media protocols.

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11

Bagdi, Avik Kumar, Matiur Rahman, Dhananjay Bhattacherjee, Grigory V. Zyryanov, Sumit Ghosh, Oleg N. Chupakhin, and Alakananda Hajra. "Visible light promoted cross-dehydrogenative coupling: a decade update." Green Chemistry 22, no. 20 (2020): 6632–81. http://dx.doi.org/10.1039/d0gc02437f.

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12

Hu, Fangdong, Ying Xia, Chen Ma, Yan Zhang, and Jianbo Wang. "C–H bond functionalization based on metal carbene migratory insertion." Chemical Communications 51, no. 38 (2015): 7986–95. http://dx.doi.org/10.1039/c5cc00497g.

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13

Patel, Heta A., Viraj J. Bhanvadia, Hemant M. Mande, Sanjio S. Zade, and Arun L. Patel. "Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling." Organic & Biomolecular Chemistry 17, no. 43 (2019): 9467–78. http://dx.doi.org/10.1039/c9ob01762c.

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14

Cardini, Andrea. "Methodologies to Measure the CP Structure of the Higgs Yukawa Coupling to Tau Leptons." Universe 8, no. 5 (April 21, 2022): 256. http://dx.doi.org/10.3390/universe8050256.

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One of the central goals of the Large Hadron Collider has been the search, and later the study, of the Higgs boson. Its coupling structure under charge conjugation and parity (CP) symmetries has been extensively investigated as a probe for new physics. This paper presents a review of the methods collected in the literature to access the CP structure of the Yukawa coupling of the Higgs boson to tau leptons at proton colliders. A new notation is introduced to classify already existing methods, highlighting their common features and favoring the investigation of new, more performing alternatives.

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15

Ronson, Thomas O., Martin H. H. Voelkel, Richard J. K. Taylor, and Ian J. S. Fairlamb. "Macrocyclic polyenynes: a stereoselective route to vinyl-ether-containing skipped diene systems." Chemical Communications 51, no. 38 (2015): 8034–36. http://dx.doi.org/10.1039/c5cc02091c.

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Novel macrocyclic polyenyne 1, with skipped unsaturation, has been constructed using Pd-catalysed cross-coupling, Wittig olefination and lithiation/alkylation methodologies; the final Stille macrocyclisation utilised the promising precatalyst, AsCat.

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16

Lüdtke, Niklas, Nikos K. Logothetis, and Stefano Panzeri. "Testing methodologies for the nonlinear analysis of causal relationships in neurovascular coupling." Magnetic Resonance Imaging 28, no. 8 (October 2010): 1113–19. http://dx.doi.org/10.1016/j.mri.2010.03.028.

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17

Kostas, Ioannis D. "Editorial Catalysts: Special Issue on Transition Metal Catalyzed Cross-Coupling Reactions." Catalysts 11, no. 4 (April 7, 2021): 473. http://dx.doi.org/10.3390/catal11040473.

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Transition metal catalyzed cross-coupling reactions have proved to be powerful tools for carbon–carbon as well as carbon–heteroatom bond formation in the development of synthetic methodologies for applications ranging from pharmaceuticals to materials [...]

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18

Rifhat Bibi, Rifhat Bibi, Muhammad Yaseen Muhammad Yaseen, Haseen Ahmad Haseen Ahmad, Ismat Ullah Khan Ismat Ullah Khan, Shaista Parveen Shaista Parveen, and Abbas Hassan Abbas Hassan. "Palladium Catalyzed Synthesis of Phenylquinoxaline-Alkyne Derivatives via Sonogashira Cross Coupling Reaction." Journal of the chemical society of pakistan 43, no. 1 (2021): 95. http://dx.doi.org/10.52568/000550.

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Transition metals mediated cross coupling methodologies provide an extremely powerful versatile pathway in organic syntheses undoubtedly, a facile route for syntheses and derivatization of biologically important heterocycles from easily available precursors. Sonogashira coupling reaction, a leading method to Csp-Csp2 bond formation is one of the most important and rapid pathways to couple aryl/vinyl halides with terminal alkynes. Current research study deals with the synthesis of alkyne substituted quinoxaline derivatives. The quinoxalines class of aromatic heterocycles exhibits a wide variety of important biological potencies. Palladium catalyzed cross coupling process provided an effective synthetic practice for the synthesis of alkyne derivatives of quinoxaline. Vareity of terminal alkynes were coupled with 2-(4-bromophenyl)quinoxaline under optimized conditions for Sonogashira reaction, affording alkyne substituted quinoxaline derivatives in high yields. The optimized reaction conditions for coupling of range of terminal alkyne with quinoxaline basic core render this process significant for designing of medicinally interesting precursors.

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19

Rifhat Bibi, Rifhat Bibi, Muhammad Yaseen Muhammad Yaseen, Haseen Ahmad Haseen Ahmad, Ismat Ullah Khan Ismat Ullah Khan, Shaista Parveen Shaista Parveen, and Abbas Hassan Abbas Hassan. "Palladium Catalyzed Synthesis of Phenylquinoxaline-Alkyne Derivatives via Sonogashira Cross Coupling Reaction." Journal of the chemical society of pakistan 43, no. 1 (2021): 95. http://dx.doi.org/10.52568/000550/jcsp/43.01.2021.

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Transition metals mediated cross coupling methodologies provide an extremely powerful versatile pathway in organic syntheses undoubtedly, a facile route for syntheses and derivatization of biologically important heterocycles from easily available precursors. Sonogashira coupling reaction, a leading method to Csp-Csp2 bond formation is one of the most important and rapid pathways to couple aryl/vinyl halides with terminal alkynes. Current research study deals with the synthesis of alkyne substituted quinoxaline derivatives. The quinoxalines class of aromatic heterocycles exhibits a wide variety of important biological potencies. Palladium catalyzed cross coupling process provided an effective synthetic practice for the synthesis of alkyne derivatives of quinoxaline. Vareity of terminal alkynes were coupled with 2-(4-bromophenyl)quinoxaline under optimized conditions for Sonogashira reaction, affording alkyne substituted quinoxaline derivatives in high yields. The optimized reaction conditions for coupling of range of terminal alkyne with quinoxaline basic core render this process significant for designing of medicinally interesting precursors.

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20

Rifhat Bibi, Rifhat Bibi, Muhammad Yaseen Muhammad Yaseen, Haseen Ahmad Haseen Ahmad, Ismat Ullah Khan Ismat Ullah Khan, Shaista Parveen Shaista Parveen, and Abbas Hassan Abbas Hassan. "Palladium Catalyzed Synthesis of Phenylquinoxaline-Alkyne Derivatives via Sonogashira Cross Coupling Reaction." Journal of the chemical society of pakistan 43, no. 1 (2021): 95. http://dx.doi.org/10.52568/000009.

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Transition metals mediated cross coupling methodologies provide an extremely powerful versatile pathway in organic syntheses undoubtedly, a facile route for syntheses and derivatization of biologically important heterocycles from easily available precursors. Sonogashira coupling reaction, a leading method to Csp-Csp2 bond formation is one of the most important and rapid pathways to couple aryl/vinyl halides with terminal alkynes. Current research study deals with the synthesis of alkyne substituted quinoxaline derivatives. The quinoxalines class of aromatic heterocycles exhibits a wide variety of important biological potencies. Palladium catalyzed cross coupling process provided an effective synthetic practice for the synthesis of alkyne derivatives of quinoxaline. Vareity of terminal alkynes were coupled with 2-(4-bromophenyl)quinoxaline under optimized conditions for Sonogashira reaction, affording alkyne substituted quinoxaline derivatives in high yields. The optimized reaction conditions for coupling of range of terminal alkyne with quinoxaline basic core render this process significant for designing of medicinally interesting precursors.

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21

Soural, Miroslav, and Veronika Ručilová. "Recent Advances in the Applications of Triethylsilane in Organic Synthesis." Synthesis 50, no. 19 (July 2, 2018): 3809–24. http://dx.doi.org/10.1055/s-0037-1610107.

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The synthesis of pharmacologically relevant scaffolds is an important goal in modern organic chemistry. For this reason, the use of methodologies involving operationally simple procedures and easily handled reagents to chemoselectively and stereoselectively convert different functionalities has gained considerable attention. In this review, we summarize the latest trends in reductive reactions using triethylsilane as the key reagent that provide synthetically interesting intermediates, coupling products and structures with control of the 3D architecture.1 Introduction2 Scenario A: Reduction of C–C Multiple Bonds3 Scenario B: Reduction of Functional Groups4 Scenario C: Reductive Coupling5 Scenario D: Reductive Cyclization6 Conclusion

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22

Jessen, Henning J., Nisar Ahmed, and Alexandre Hofer. "Phosphate esters and anhydrides – recent strategies targeting nature's favoured modifications." Org. Biomol. Chem. 12, no. 22 (2014): 3526–30. http://dx.doi.org/10.1039/c4ob00478g.

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This perspective highlights some recently developed phosphorylation methodologies focusing on a three-step procedure using P(iii) chemistry (P-amidite coupling, oxidation, deprotection) that allows for the iterative homologation of nucleotides.

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23

Ghosh, Anogh, Pranjal Pyne, Sumit Ghosh, Debashis Ghosh, Souvik Majumder, and Alakananda Hajra. "Visible-light-induced metal-free coupling of C(sp³)–H sources with heteroarenes." Green Chemistry 24, no. 8 (2022): 3056–80. http://dx.doi.org/10.1039/d1gc04384f.

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This critical review chronologically summarizes the metal-free coupling methodologies of C(sp3)–H sources with heteroarenes induced by visible light. The articles which are published up to January 2022 on this topic are enclosed here.

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24

Teng, Yun Chao, Zhen Chao Teng, Yu Liu, Xiao Yan Liu, Ya Dong Zhou, Jia Lin Liu, and Bo Li. "A Review of the Research on Thermo-Hydro-Mechanical Coupling for the Frozen Soil." Geofluids 2022 (March 21, 2022): 1–11. http://dx.doi.org/10.1155/2022/8274137.

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This paper reviews the history of the research development on the coupling mechanism of the multiphysical field, e.g., thermo-hydro-mechanical (THM), for frozen soil. The objective is to deepen the current understanding of the theories and mechanism of multiphysical field coupling in the frozen soil and the dynamic changes in the temperature, moisture, and stress fields during soil freezing. A new differential equation of the coupling of temperature field and moisture field is proposed. Based on the DiscreteFrechetDist algorithm, a fitting method of evaluating a curve is proposed. The paper is expected to help understand the soil freezing process in cold regions and enhance the innovativeness of the research methodologies dealing with multifield coupling for the frozen soil.

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25

Strauss, Christopher R. "Invited Review. A Combinatorial Approach to the Development of Environmentally Benign Organic Chemical Preparations." Australian Journal of Chemistry 52, no. 2 (1999): 83. http://dx.doi.org/10.1071/c98156.

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Enabling technologies and methodologies were established and combined to afford various environmentally benign processes for laboratory-scale organic synthesis and for the production of fine chemicals, intermediates and pharmaceuticals. The technologies comprised continuous and batch microwave reactors and catalytic membranes. The methodologies included solvent-free conditions, catalysed or uncatalysed processes, the use of aqueous media at high temperature and non-extractive techniques for product isolation. Applications included Hofmann eliminations, Willgerodt and Jacobs–Gould reactions, indole transformations, aldol condensation, Rupe and Meyer–Schuster rearrangements and C–C coupling reactions (including a tandem Heck coupling–dehydrogenation). New processes for catalytic etherification, uncatalysed hydrogen transfer and a one-step arylamidation were also developed. Typical products were N-(4-hydroxyphenyl)acetamide, carvacrol, a-phenylacetamide, cinnamaldehyde, cinnamyl alcohol, acetophenone, indole, 3-hydroxy-1,2-dimethyl-4-pyridone, di(2-phenylethyl) ether, di(cyclopropylmethyl) ether, 3-methylcyclopent-2-enone and a synthetic precursor of nalidixic acid.

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26

Veitl, A., T. Gordon, A. Van De Sand, M. Howell, M. Valasek, O. Vaculin, and P. Steinbauer. "Methodologies for Coupling Simulation Models and Codes in Mechatronic System Analysis and Design." Vehicle System Dynamics 33, sup1 (January 1, 1999): 231–43. http://dx.doi.org/10.1080/00423114.1999.12063084.

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27

Santos, A., Ana Mortinho, and M. Marques. "Metal-Catalyzed Cross-Coupling Reactions on Azaindole Synthesis and Functionalization." Molecules 23, no. 10 (October 17, 2018): 2673. http://dx.doi.org/10.3390/molecules23102673.

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Azaindoles are rare in nature but extremely attractive for drug discovery programs. Azaindoles can be obtained by diverse methods, including those involving metal-catalyzed reactions. This important core has been fascinating the scientific community due to their challenging synthesis and relevant bioactivity. This paper highlights the diverse synthetic methodologies developed to date involving metal-catalyzed reaction to attain azaindoles and its functionalization.

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28

Chen, Qing-An, Wei-Song Zhang, and Yan-Cheng Hu. "Isoprene: A Promising Coupling Partner in C–H Functionalizations." Synlett 31, no. 17 (July 2, 2020): 1649–55. http://dx.doi.org/10.1055/s-0040-1707172.

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Five-carbon dimethylallyl units, such as prenyl and reverse-prenyl, are widely distributed in natural indole alkaloids and terpenoids. In conventional methodologies, these valuable motifs are often derived from substrates bearing leaving groups, but these processes are accompanied by the generation of stoichiometric amounts of by-products. From an economical and environmental point of view, the basic industrial feedstock isoprene is an ideal alternative precursor. However, given that electronically unbiased isoprene might undergo six possible addition modes in the coupling reactions, it is difficult to control the selectivity. This article summarizes the strategies we have developed to achieve regioselective C–H functionalizations of isoprene under transition-metal and acid catalysis.1 Introduction2 Catalytic Coupling of Indoles with Isoprene3 Catalytic Coupling of Formaldehyde, Arenes and Isoprene4 Catalytic Coupling of 4-Hydroxycoumarins with Isoprene5 Catalytic Coupling of Cyclic 1,3-Diketones with Isoprene6 Conclusion and Outlook

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29

Soares, Delfim. "Coupled Numerical Methods to Analyze Interacting Acoustic-Dynamic Models by Multidomain Decomposition Techniques." Mathematical Problems in Engineering 2011 (2011): 1–28. http://dx.doi.org/10.1155/2011/245170.

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In this work, coupled numerical analysis of interacting acoustic and dynamic models is focused. In this context, several numerical methods, such as the finite difference method, the finite element method, the boundary element method, meshless methods, and so forth, are considered to model each subdomain of the coupled model, and multidomain decomposition techniques are applied to deal with the coupling relations. Two basic coupling algorithms are discussed here, namely the explicit direct coupling approach and the implicit iterative coupling approach, which are formulated based on explicit/implicit time-marching techniques. Completely independent spatial and temporal discretizations among the interacting subdomains are permitted, allowing optimal discretization for each sub-domain of the model to be considered. At the end of the paper, numerical results are presented, illustrating the performance and potentialities of the discussed methodologies.

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30

Sobrinho, João, Hilda de Pablo, Francisco Campuzano, and Ramiro Neves. "Coupling Rivers and Estuaries with an Ocean Model: An Improved Methodology." Water 13, no. 16 (August 21, 2021): 2284. http://dx.doi.org/10.3390/w13162284.

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Freshwater sources are essential inputs for regional ocean models covering coastal areas such as the western Iberian Peninsula. The problem is how to include the mixture between fresh and salt water, typically performed by estuaries and in the adjacent areas of river mouths, without unsustainable increases of computational time and human setup errors. This work provides a proof-of-concept solution to both these problems through the use of an offline two-way methodology, where local schematic rivers and estuaries are responsible for mixing river freshwater with salt water of a regional model application. Two different offline upscaling methodologies—which focus on the implementation of tidal fluxes from local domains to regional domains in the context of operational modelling—are implemented in the Portuguese Coast Operational Modelling System (PCOMS) regional model application as well as in a version without rivers. A comparison between results produced by these methodologies, field data, and satellite imagery was performed, which confirmed that the proposed methodology of using schematic rivers and estuaries, combined with the new offline upscaling methodology proposed herein, represents a good solution for operational modelling of coastal areas subject to a high dominance of freshwater inputs.

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31

Linars, Artis, Ivars Silamikelis, Dita Gudra, Ance Roga, and Davids Fridmanis. "OverFlap PCR: A reliable approach for generating plasmid DNA libraries containing random sequences without a template bias." PLOS ONE 17, no. 8 (August 8, 2022): e0262968. http://dx.doi.org/10.1371/journal.pone.0262968.

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Over the decades, practical biotechnology researchers have aimed to improve naturally occurring proteins and create novel ones. It is widely recognized that coupling protein sequence randomization with various effect screening methodologies is one of the most powerful techniques for quickly, efficiently, and purposefully acquiring these desired improvements. Over the years, considerable advancements have been made in this field. However, developing PCR-based or template-guided methodologies has been hampered by resultant template sequence biases. Here, we present a novel whole plasmid amplification-based approach, which we named OverFlap PCR, for randomizing virtually any region of plasmid DNA without introducing a template sequence bias.

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32

Pich, Antonio, and Antonio Rodríguez-Sánchez. "Updated determination of αs(mτ2) from τ decays." Modern Physics Letters A 31, no. 30 (September 15, 2016): 1630032. http://dx.doi.org/10.1142/s0217732316300329.

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Using the most recent release of the ALEPH [Formula: see text] decay data, we present a very detailed phenomenological update of the [Formula: see text] determination. We have exploited the sensitivity to the strong coupling in many different ways, exploring several complementary methodologies. All determinations turn out to be in excellent agreement, allowing us to extract a very reliable value of the strong coupling. We find [Formula: see text] which implies [Formula: see text]. We critically revise previous work, and point out the problems flawing some recent analyses which claim slightly smaller values.

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33

Husson, Jérôme, and Michael Knorr. "Syntheses and applications of furanyl-functionalised 2,2’:6’,2’’-terpyridines." Beilstein Journal of Organic Chemistry 8 (March 12, 2012): 379–89. http://dx.doi.org/10.3762/bjoc.8.41.

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Different synthetic routes leading to terpyridines functionalised with furan heterocycles are reviewed. The methodologies used to prepare such compounds include the ring closure of 1,5-diketones and cross-coupling reactions. These versatile terpyridines and their derived metal complexes find applications in various fields including coordination chemistry, medicinal chemistry and material sciences.

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34

Shaya, Janah, Gabriel Correia, Benoît Heinrich, Jean-Charles Ribierre, Kyriaki Polychronopoulou, Loïc Mager, and Stéphane Méry. "Functionalization of Biphenylcarbazole (CBP) with Siloxane-Hybrid Chains for Solvent-Free Liquid Materials." Molecules 27, no. 1 (December 24, 2021): 89. http://dx.doi.org/10.3390/molecules27010089.

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We report herein the synthesis of siloxane-functionalized CBP molecules (4,4′-bis(carbazole)-1,1′-biphenyl) for liquid optoelectronic applications. The room-temperature liquid state is obtained through a convenient functionalization of the molecules with heptamethyltrisiloxane chains via hydrosilylation of alkenyl spacers. The synthesis comprises screening of metal-catalyzed methodologies to introduce alkenyl linkers into carbazoles (Stille and Suzuki Miyaura cross-couplings), incorporate the alkenylcarbazoles to dihalobiphenyls (Ullmann coupling), and finally introduce the siloxane chains. The used conditions allowed the synthesis of the target compounds, despite the high reactivity of the alkenyl moieties bound to π-conjugated systems toward undesired side reactions such as polymerization, isomerization, and hydrogenation. The features of these solvent-free liquid CBP derivatives make them potentially interesting for fluidic optoelectronic applications.

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35

Zhao, Baoping, and Victor Snieckus. "Integrated aromatic metalation - cross coupling methodologies. A concise synthesis of the azafluoranthene alkaloid imeluteine." Tetrahedron Letters 32, no. 39 (September 1991): 5277–78. http://dx.doi.org/10.1016/s0040-4039(00)92363-3.

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36

Yousaf, Muhammad, Ameer Fawad Zahoor, Rabia Akhtar, Matloob Ahmad, and Shazia Naheed. "Development of green methodologies for Heck, Chan–Lam, Stille and Suzuki cross-coupling reactions." Molecular Diversity 24, no. 3 (August 28, 2019): 821–39. http://dx.doi.org/10.1007/s11030-019-09988-7.

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37

Leysen, Pieter, Silvia Quattrosoldi, Elisabetta Salatelli, and Guy Koeckelberghs. "Investigation of the dithieno[3,2-b:2′,3′-d]pyrrole polymerization using cross-coupling and cationic mechanisms." Polymer Chemistry 10, no. 8 (2019): 1010–17. http://dx.doi.org/10.1039/c8py01176a.

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Verrier, Cécile, Pierrik Lassalas, Laure Théveau, Guy Quéguiner, François Trécourt, Francis Marsais, and Christophe Hoarau. "Recent advances in direct C–H arylation: Methodology, selectivity and mechanism in oxazole series." Beilstein Journal of Organic Chemistry 7 (November 29, 2011): 1584–601. http://dx.doi.org/10.3762/bjoc.7.187.

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Catalytic direct (hetero)arylation of (hetero)arenes is an attractive alternative to traditional Kumada, Stille, Negishi and Suzuki–Miyaura cross-coupling reactions, notably as it avoids the prior preparation and isolation of (hetero)arylmetals. Developments of this methodology in the oxazole series are reviewed in this article. Methodologies, selectivity, mechanism and future aspects are presented.

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Odell, Luke, Mats Larhed, and Linda Åkerbladh. "Palladium-Catalyzed Molybdenum Hexacarbonyl-Mediated Gas-Free Carbonylative Reactions." Synlett 30, no. 02 (October 2, 2018): 141–55. http://dx.doi.org/10.1055/s-0037-1610294.

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This account summarizes Pd(0)-catalyzed Mo(CO)6-mediated gas-free carbonylative reactions published in the period October 2011 to May 2018. Presented reactions include inter- and intramolecular carbonylations, carbonylative cross-couplings, and carbonylative multicomponent reactions using Mo(CO)6 as a solid source of CO. The presented methodologies were developed mainly for small-scale applications, avoiding the problematic use of gaseous CO in a standard laboratory. In most cases, the reported Mo(CO)6-mediated carbonylations were conducted in sealed vials or by using two-chamber solutions.1 Introduction2 Recent Developments2.1 New CO Sources2.2 Two-Chamber System for ex Situ CO Generation2.3 Multicomponent Carbonylations3 Carbonylations with N and O Nucleophiles4 Carbonylative Cross-Coupling Reactions with Organometallics5 Carbonylative Cascade Reactions6 Carbonylative Cascade, Multistep Reactions7 Summary and Outlook

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Joshi, Alok, and Won-jong Kim. "Modeling and Multivariable Control Design Methodologies for Hexapod-Based Satellite Vibration Isolation." Journal of Dynamic Systems, Measurement, and Control 127, no. 4 (November 30, 2004): 700–704. http://dx.doi.org/10.1115/1.2101842.

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A mathematical model of a six-degree-of-freedom (6-DOF) hexapod system for vibration isolation was derived in the discrete-time domain on the basis of the experimental data obtained from a satellite. Using a Box–Jenkins model structure, the transfer functions between six piezoelectric actuator input voltages and six geophone sensor output voltages were identified empirically. The 6×6 transfer function matrix is symmetric, and its off-diagonal terms indicate the coupling among different input/output channels. Various multi-input multi-output (MIMO) control techniques such as Linear Quadratic Gaussian and H∞ were proposed for active vibration isolation in the broadband up to 100 Hz. The simulation results using these controllers obtain 13 and 8 dB vibration attenuation at 25 and 35 Hz, respectively.

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Masouman, Ashkan, and Charles Harvie. "Forecasting, impact analysis and uncertainty propagation in regional integrated models: A case study of Australia." Environment and Planning B: Urban Analytics and City Science 47, no. 1 (April 16, 2018): 65–83. http://dx.doi.org/10.1177/2399808318767128.

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The integration of input–output and econometric models at regional level has gained popularity for its superior performance in forecasting employment and examining the impacts of policies. There are a number of approaches to integrate the two models. This paper examines the integration of input–output with econometric modelling using two merging methodologies, namely coupling and holistic embedding. Each methodology is analysed with respect to the accuracy of its results of total and sectoral employment forecasting. Both methodologies are applied to a regional economy in Australia. The methodology which shows superior forecasting accuracy is applied to examine the significance of sectors that generate the highest number of employments relative to other sectors.

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Yu, Hui, and Feng Xu. "Non-noble metal-catalyzed cross-dehydrogenation coupling (CDC) involving ether α-C(sp³)–H to construct C–C bonds." Beilstein Journal of Organic Chemistry 19 (September 6, 2023): 1259–88. http://dx.doi.org/10.3762/bjoc.19.94.

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Ether derivatives are widespread as essential building blocks in various drugs, natural products, agrochemicals, and materials. Modern economy requires developing green strategies with improved efficiency and reduction of waste. Due to its atom and step-economy, the cross-dehydrogenative coupling (CDC) reaction has become a major strategy for ether functionalization. This review covers C–H/C–H cross-coupling reactions of ether derivatives with various C–H bond substrates via non-noble metal catalysts (Fe, Cu, Co, Mn, Ni, Zn, Y, Sc, In, Ag). We discuss advances achieved in these CDC reactions and hope to attract interest in developing novel methodologies in this field of organic chemistry.

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Brevault, Loïc, Mathieu Balesdent, and Sébastien Defoort. "Preliminary study on launch vehicle design: Applications of multidisciplinary design optimization methodologies." Concurrent Engineering 26, no. 1 (November 6, 2017): 93–103. http://dx.doi.org/10.1177/1063293x17737131.

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The design of complex systems such as launch vehicles involves different fields of expertise that are interconnected. To perform multidisciplinary studies, concurrent engineering aims at providing a collaborative environment which often relies on data set exchange. In order to efficiently achieve system-level analyses (uncertainty propagation, sensitivity analysis, optimization, etc.), it is necessary to go beyond data set exchange which limits the capabilities of performance assessments. Multidisciplinary design optimization methodologies is a collection of engineering methodologies to optimize systems modelled as a set of coupled disciplinary analyses and is a key enabler to extend concurrent engineering capabilities. This article is focused on several examples of recent developments of multidisciplinary design optimization methodologies (e.g. multidisciplinary design optimization with transversal decomposition of the design process, multidisciplinary design optimization under uncertainty) with applications to launch vehicle design to illustrate the benefices of taking into account the coupling effects between the different physics all along the design process. These methods enable to manage the complexity of the involved physical phenomena and their interactions in order to generate innovative concepts such as reusable launch vehicles beyond existing solutions.

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Guzmán, M. Orozco, S. Obredor Castro, F. Mejía Acuña, and E. Silvera Malo. "Importance of coupling the teaching methodologies of mathematics with the learning styles of digital natives." Journal of Physics: Conference Series 1414 (November 2019): 012004. http://dx.doi.org/10.1088/1742-6596/1414/1/012004.

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Asadizadeh, Mostafa, Hossein Masoumi, Hamid Roshan, and Ahmadreza Hedayat. "Coupling Taguchi and Response Surface Methodologies for the Efficient Characterization of Jointed Rocks’ Mechanical Properties." Rock Mechanics and Rock Engineering 52, no. 11 (May 25, 2019): 4807–19. http://dx.doi.org/10.1007/s00603-019-01853-1.

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Clewell III, Harvey J. "Coupling of computer modeling with in vitro methodologies to reduce animal usage in toxicity testing." Toxicology Letters 68, no. 1-2 (May 1993): 101–17. http://dx.doi.org/10.1016/0378-4274(93)90123-f.

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Dorn, Viviana, Emilio Lorenzo Martínez, and Gabriel Radivoy. "Applications of Computational and NMR Methodologies to the Study of Homoallylic Alcohols Diastereomers." Proceedings 9, no. 1 (November 14, 2018): 12. http://dx.doi.org/10.3390/ecsoc-22-05782.

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Through reducing the system InCl3-Li-DTBB(cat.) in THF at room temperature and in the absence of any additives or anti-caking ligand, we have synthesized indium nanoparticles (InNPs) of about 4 nm. The catalyst was employed in the allylation of carbonyl compounds, giving excellent yields of the corresponding homoallylic alcohols. We have established that the reaction products come from a γ-coupling via a six members cyclic transition state, type Zimmerman–Traxler. Relative to the selectivity, the allylation with crotyl bromide of ortho substituted benzaldehydes (e.g., o-NO2, o-OMe, o-Cl, o-CF3) showed syn selectivity. With the aim to improve the mentioned selectivity, we synthetized o-iPrO-benzaldehyde, and evaluated the reaction with crotyl bromide and InNPs. The homoallylic alcohol 1-(2-isopropoxyphenyl)-2-methylbut-3-en-1-ol was obtained almost quantitatively after 1h as a mixture of the syn- and anti- isomers. The relationship observed by 1H-RMN was 75:25, but we did not know if the syn-isomer was the dominant because the product has not been reported in the scientific literature. Based on this, and in order to determinate which 1H-NMR signals correspond to each isomer, we started computational theoretical and NMR studies. The initial conformational analysis was performed using the semiempirical PM3 method, then we work with the B3LYP functional, applying the 6-31+G* basis set and the solvent effect (chloroform) was evaluated with the PCM model as implemented in Gaussian09. So, we found thirteen low-energy conformations for the syn-diastereomer and six low-energy conformations for the anti-diastereomer. On the other hand, we have carried out NMR experiments such as 1H, 13C, HSQC, to assign the signals of each diastereomer; and experiments such as NOESY, selective NOE, JRes, homo- and hetero-nuclear J-coupled and J-decoupling, to be able to measure coupling constants and establish the structure of each diastereomer.

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Kairytė, Agnė, Saulius Vaitkus, and Sigitas Vėjelis. "Titanate-Based Surface Modification of Paper Waste Particles and its Impact on Rigid Polyurethane Foam Properties." Key Engineering Materials 721 (December 2016): 58–62. http://dx.doi.org/10.4028/www.scientific.net/kem.721.58.

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Producing particulate filled polymer composites, even dispersion and sufficient adhesion between filler and polymer matrix is of great importance. In order to solve these issues, methodologies, such as ultrasonic dispersing and coupling agents, are proposed. The impact of particle surface modification with three different titanate coupling agents having the tradenames of TCA L44, TCA L38 and TCA K44 on paper waste sludge particles surface, polyurethane foam composite density, compressive and tensile strengths as well as water absorption and water vapour permeability is evaluated. Apparently, titanates form layer on the particle surface, thus increasing the interfacial adhesion between particles and polymer matrix. Basing on the obtained results, the optimal amount and type of titanate is 1 wt.% of TCA K44.

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Ejjoummany, Abdelaziz, Rabia Belaroussi, Ahmed El Hakmaoui, Mohamed Akssira, Gérald Guillaumet, Frédéric Buron, and Sylvain Routier. "Regioselective Synthesis of New 2,4-(Het)aryl-3H-pyrido[1′,2′:1,5]pyrazolo[4,3-d]pyrimidines Involving Palladium-Catalyzed Cross-Coupling Reactions." Molecules 23, no. 11 (October 23, 2018): 2740. http://dx.doi.org/10.3390/molecules23112740.

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The design of some novel di-(het)arylated-3H-pyrido[1′,2′:1,5]pyrazolo[4,3-d]pyrimidine derivatives is reported. The series was developed from 1-aminopyridinium iodide, which afforded the key intermediate bearing two thiomethyl and amide functions, each of them useful for palladium catalyzed cross coupling reactions by alkyl sulfur release and C-O activation, respectively. The two regioselective and successive cross-coupling reactions were first carried out in C-4 by in situ C-O activation and next in C-2 by a methylsulfur release. Process optimization furnished conditions leading to products in high yields. The scope and limitations of the methodologies were evaluated and the final compounds characterized.

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Fañanás-Mastral, Martín, Eva Rivera-Chao, and Laura Fra. "Synergistic Bimetallic Catalysis for Carboboration of Unsaturated Hydrocarbons." Synthesis 50, no. 19 (July 9, 2018): 3825–32. http://dx.doi.org/10.1055/s-0037-1610434.

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Synergistic bimetallic catalysis has become a very efficient tool for the selective carboboration of unsaturated hydrocarbons. This synthetic approach is based on the use of a catalytically generated boron-substituted organocopper nucleophile in a cross-coupling reaction catalyzed by a second transition metal. This way, hydrocarbons can be used as pro-nucleophiles in this type of transformations thus rendering a clean and operationally simple alternative to the traditional cross-coupling methodologies. This review provides a summary of the developments on this topic and discusses both the synthetic utility and mechanisms of these reactions.1 Introduction2 Carboboration of Alkenes via Synergistic Catalysis3 Carboboration of 1,3-Dienes via Synergistic Catalysis4 Carboboration of Alkynes via Synergistic Catalysis5 Conclusions

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