Insight into Hydrogen Abstractions by Nitrate Radical: Structural, Solvent Effects, and Evidence for a Polar Transition State

2021 ◽  
Author(s):  
Mark Paradzinsky ◽  
Diego Troya ◽  
James M. Tanko
Keyword(s):  
Transition State ◽  
Solvent Effects ◽  
Nitrate Radical ◽  
Polar Transition ◽  
Insight Into

Solvent effects in intramolecular Diels-Alder reactions of 2-furfuryl methyl fumarates: evidence for a polar transition state

1989 ◽  
Vol 111 (14) ◽  
pp. 5469-5470 ◽  
Author(s):  
Michael E. Jung ◽  
Jacquelyn Gervay
Keyword(s):  
Transition State ◽  
Solvent Effects ◽  
Diels Alder ◽  
Polar Transition

An ene reaction with a polar transition state as ascertained from solvent effects

1991 ◽  
Vol 4 (10) ◽  
pp. 605-610 ◽  
Author(s):  
Pierre Laszlo ◽  
Michelle Teston-Henry
Keyword(s):  
Transition State ◽  
Solvent Effects ◽  
Ene Reaction ◽  
Polar Transition

scholarly journals Single-cell evaluation reveals shifts in the tumor-immune niches that shape and maintain aggressive lesions in the breast

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Vidya C. Sinha ◽  
Amanda L. Rinkenbaugh ◽  
Mingchu Xu ◽  
Xinhui Zhou ◽  
Xiaomei Zhang ◽  
...  
Keyword(s):  
Breast Cancer ◽  
T Cells ◽  
Mouse Model ◽  
Transition State ◽  
Tumor Cell ◽  
Single Cell ◽  
Tumor Cells ◽  
Breast Lesions ◽  
Aggressive Tumor ◽  
Insight Into

AbstractThere is an unmet clinical need for stratification of breast lesions as indolent or aggressive to tailor treatment. Here, single-cell transcriptomics and multiparametric imaging applied to a mouse model of breast cancer reveals that the aggressive tumor niche is characterized by an expanded basal-like population, specialization of tumor subpopulations, and mixed-lineage tumor cells potentially serving as a transition state between luminal and basal phenotypes. Despite vast tumor cell-intrinsic differences, aggressive and indolent tumor cells are functionally indistinguishable once isolated from their local niche, suggesting a role for non-tumor collaborators in determining aggressiveness. Aggressive lesions harbor fewer total but more suppressed-like T cells, and elevated tumor-promoting neutrophils and IL-17 signaling, disruption of which increase tumor latency and reduce the number of aggressive lesions. Our study provides insight into tumor-immune features distinguishing indolent from aggressive lesions, identifies heterogeneous populations comprising these lesions, and supports a role for IL-17 signaling in aggressive progression.

On the Calculation of Transition State Activity Coefficient and Solvent Effects on Chemical Reactions

1998 ◽  
Vol 63 (12) ◽  
pp. 1969-1976 ◽  
Author(s):  
Alvaro Domínguez ◽  
Rafael Jimenez ◽  
Pilar López-Cornejo ◽  
Pilar Pérez ◽  
Francisco Sánchez
Keyword(s):  
Activity Coefficient ◽  
Transition State ◽  
Chemical Reactions ◽  
Solvent Effects ◽  
Transition State Theory ◽  
Reaction Medium ◽  
State Theory ◽  
Precursor Complex ◽  
State Activity ◽  
Classical Transition

Solvent effects, when the classical transition state theory (TST) holds, can be interpreted following the Brønsted equation. However, when calculating the activity coefficient of the transition state, γ# it is important to take into account that this coefficient is different from that of the precursor complex, γPC. The activity coefficient of the latter is, in fact, that calculated in classical treatments of salt and solvent effects. In this paper it is shown how the quotients γ#/γPC change when the reaction medium changes. Therefore, the conclusions taken on the basis of classical treatments may be erroneous.

THE ALKALINE CLEAVAGE OF o-NITROBENZYLTRIMETHYLSILANE SOLVENT EFFECTS IN THE DIOXANE–WATER SYSTEM

1963 ◽  
Vol 41 (6) ◽  
pp. 1525-1530 ◽  
Author(s):  
H. R. Allcock
Keyword(s):  
Transition State ◽  
Solvent Effects ◽  
Water System ◽  
Solvent Polarity ◽  
High Water ◽  
Aqueous Dioxane ◽  
Alkaline Cleavage ◽  
Rate Of Reaction ◽  
Kinetics Of

The kinetics of alkaline cleavage of o-nitrobenzyltrimethylsilane were examined in aqueous dioxane media. At high water concentrations, increases in solvent polarity retard the cleavage, as required by a mechanism involving charge dispersion in the transition state. At high dioxane concentrations, solvent polarity increases are accompanied by increases in the rate of reaction, a result which may reflect association between the solvent components.

Initial state and transition state contributions to solvent effects on activation enthalpies for substitution reactions of tris(1,10-phenanthroline)iron(II) in aqueous methanol

1983 ◽  
Vol 8 (3) ◽  
pp. 148-152 ◽  
Author(s):  
Michael J. Blandamer ◽  
John Burgess ◽  
Timothy Digman ◽  
Philip P. Duce ◽  
John P. McCann ◽  
...  
Keyword(s):  
Transition State ◽  
Solvent Effects ◽  
Aqueous Methanol ◽  
Substitution Reactions ◽  
Initial State

Quick temperature-sweep pure-shift NMR: the case of solvent effects in atorvastatin

2019 ◽  
Vol 21 (35) ◽  
pp. 19209-19215 ◽  
Author(s):  
Małgorzata Rytel ◽  
Paweł Kasprzak ◽  
Piotr Setny ◽  
Krzysztof Kazimierczuk
Keyword(s):  
Solvent Effects ◽  
Temperature Dependent ◽  
Insight Into

Quick and sensitive serial pseudo-2D pure-shift NMR experiments provide novel insight into the temperature-dependent solvent distribution.

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