Role of a Multidentate Carbonate Donor in MgCl2-Supported Ziegler–Natta Olefin Polymerization Catalysis: An Experimental and Computational Approach

2019 ◽  
Vol 123 (40) ◽  
pp. 24501-24510 ◽  
Author(s):  
Jugal Kumawat ◽  
Parthiv Trivedi ◽  
Virendra Kumar Gupta
Keyword(s):  
Olefin Polymerization ◽  
Computational Approach ◽  
Polymerization Catalysis

Titanium pyridyl-phosphinimide complexes — Synthesis, structure, and ethylene polymerization catalysis

2006 ◽  
Vol 84 (5) ◽  
pp. 755-761 ◽  
Author(s):  
Chad Beddie ◽  
Pingrong Wei ◽  
Douglas W Stephan
Keyword(s):  
Molecular Weight ◽  
Key Words ◽  
Ethylene Polymerization ◽  
Olefin Polymerization ◽  
Polymerization Catalysts ◽  
Pyridyl Group ◽  
Molecular Weight Distributions ◽  
Polymerization Catalysis ◽  
Weight Distributions

A series of Ti–pyridyl-phosphinimide complexes of the form Cp′TiX2[NPR2(2-CH2Py)] (Cp′ = Cp, Cp*, R = i-Pr, t-Bu, X = Cl, Me) have been prepared and characterized. These complexes generate ethylene polymerization catalysts upon activation with MAO or B(C6F5)3. The resulting polymers exhibit broad molecular weight distributions. The role of the pyridyl group is discussed in light of stoichiometric reactions of CpTiCl2[NPR2(2-CH2Py)] with B(C6F5)3.Key words: phosphinimide complexes, pyridyl-phosphinimides, olefin polymerization.

scholarly journals The Multifaceted Role of Methylaluminoxane in Metallocene-Based Olefin Polymerization Catalysis

2018 ◽  
Vol 51 (2) ◽  
pp. 343-355 ◽  
Author(s):  
Marjolein E. Z. Velthoen ◽  
Ara Muñoz-Murillo ◽  
Abdelkbir Bouhmadi ◽  
Michaël Cecius ◽  
Steve Diefenbach ◽  
...  
Keyword(s):  
Olefin Polymerization ◽  
Polymerization Catalysis

scholarly journals Paradox of integration — mean field approach

2017 ◽  
Vol 28 (11) ◽  
pp. 1750133 ◽  
Author(s):  
Krzysztof Kułakowski ◽  
Piotr Gronek ◽  
Alfio Borzì
Keyword(s):  
Social Status ◽  
Positive Emotions ◽  
Mean Field ◽  
Computational Approach ◽  
Transient Time ◽  
Field Approach ◽  
The Social ◽  
The Mean ◽  
High Social Status

Recently, a computational model has been proposed of the social integration, as described in sociological terms by Blau. In this model, actors praise or critique each other, and these actions influence their social status and raise negative or positive emotions. The role of a self-deprecating strategy of actors with high social status has also been discussed there. Here, we develop a mean field approach, where the active and passive roles (praising and being praised, etc.) are decoupled. The phase transition from friendly to hostile emotions has been reproduced, similarly to the previously applied purely computational approach. For both phases, we investigate the time dependence of the distribution of social status. There we observe a diffusive spread, which — after some transient time — appears to be limited from below or from above, depending on the phase. As a consequence, the mean status flows.

Computational approach towards understanding structural and functional role of cytokinin oxidase/dehydrogenase 2 (CKX2) in enhancing grain yield in rice plant

2019 ◽  
Vol 38 (4) ◽  
pp. 1158-1167 ◽  
Author(s):  
Gayatri Gouda ◽  
Manoj Kumar Gupta ◽  
Ravindra Donde ◽  
Jitendra Kumar ◽  
Ramakrishna Vadde ◽  
...  
Keyword(s):  
Grain Yield ◽  
Rice Plant ◽  
Functional Role ◽  
Computational Approach ◽  
Cytokinin Oxidase

scholarly journals Reasoning about Quantities in Natural Language

2015 ◽  
Vol 3 ◽  
pp. 1-13 ◽  
Author(s):  
Subhro Roy ◽  
Tim Vieira ◽  
Dan Roth
Keyword(s):  
Elementary School ◽  
Natural Language Processing ◽  
Natural Language ◽  
Language Processing ◽  
Computational Approach ◽  
Quantitative Reasoning ◽  
Language Understanding ◽  
Numerical Reasoning ◽  
Key Steps

Little work from the Natural Language Processing community has targeted the role of quantities in Natural Language Understanding. This paper takes some key steps towards facilitating reasoning about quantities expressed in natural language. We investigate two different tasks of numerical reasoning. First, we consider Quantity Entailment, a new task formulated to understand the role of quantities in general textual inference tasks. Second, we consider the problem of automatically understanding and solving elementary school math word problems. In order to address these quantitative reasoning problems we first develop a computational approach which we show to successfully recognize and normalize textual expressions of quantities. We then use these capabilities to further develop algorithms to assist reasoning in the context of the aforementioned tasks.

scholarly journals Prediction of self-assembly of adenosine analogues in solution: a computational approach validated by isothermal titration calorimetry

2019 ◽  
Vol 21 (8) ◽  
pp. 4258-4267 ◽  
Author(s):  
Luca Redivo ◽  
Rozalia-Maria Anastasiadi ◽  
Marco Pividori ◽  
Federico Berti ◽  
Maria Peressi ◽  
...  
Keyword(s):  
Isothermal Titration Calorimetry ◽  
Self Assembly ◽  
Computational Approach ◽  
Titration Calorimetry ◽  
Cognitive Enhancers ◽  
Adenosine Analogues ◽  
Therapeutic Drugs

The recent discovery of the role of adenosine-analogues as neuroprotectants and cognitive enhancers has sparked interest in these molecules as new therapeutic drugs.

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