scholarly journals Variational Implicit-Solvent Modeling of Host–Guest Binding: A Case Study on Cucurbit[7]uril|

2013 ◽  
Vol 9 (9) ◽  
pp. 4195-4204 ◽  
Author(s):  
Shenggao Zhou ◽  
Kathleen E. Rogers ◽  
César Augusto F. de Oliveira ◽  
Riccardo Baron ◽  
Li-Tien Cheng ◽  
...  
Keyword(s):  
Implicit Solvent ◽  
Guest Binding

Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein

2012 ◽  
Vol 113 (6) ◽  
pp. 771-785 ◽  
Author(s):  
Jacek Dziedzic ◽  
Stephen J. Fox ◽  
Thomas Fox ◽  
Christofer S. Tautermann ◽  
Chris-Kriton Skylaris
Keyword(s):  
Dft Calculations ◽  
Large Scale ◽  
Implicit Solvent ◽  
T4 Lysozyme

scholarly journals Correction to Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study

2020 ◽  
Vol 16 (7) ◽  
pp. 4755-4755
Author(s):  
Gabriel Bramley ◽  
Manh-Thuong Nguyen ◽  
Vassiliki-Alexandra Glezakou ◽  
Roger Rousseau ◽  
Chris-Kriton Skylaris
Keyword(s):  
Implicit Solvent ◽  
Water Interface ◽  
Solvent Models ◽  
Work Functions ◽  
Implicit Solvent Models

Stronger host–guest binding does not necessarily give brighter particles: a case study on polymeric AIEE-tunable and size-tunable supraspheres

2018 ◽  
Vol 54 (67) ◽  
pp. 9274-9277 ◽  
Author(s):  
Linxian Xu ◽  
Rongrong Wang ◽  
Wei Cui ◽  
Lingyun Wang ◽  
Herbert Meier ◽  
...  
Keyword(s):  
Alkyl Chains ◽  
Guest Binding ◽  
Polymeric Host

Compared with the tritopic guest without chains, the tritopic guest with flexible alkyl chains bound to the polymeric host more strongly and induced the formation of larger but duller supraspheres.

scholarly journals Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study

2020 ◽  
Vol 16 (4) ◽  
pp. 2703-2715 ◽  
Author(s):  
Gabriel Bramley ◽  
Manh-Thuong Nguyen ◽  
Vassiliki-Alexandra Glezakou ◽  
Roger Rousseau ◽  
Chris-Kriton Skylaris
Keyword(s):  
Implicit Solvent ◽  
Water Interface ◽  
Solvent Models ◽  
Work Functions ◽  
Implicit Solvent Models

The Genesis and Internal Dynamics of El Salvador's People's Revolutionary Army, 1970–1976

2014 ◽  
Vol 38 (01) ◽  
pp. 102-129
Author(s):  
ALBERTO MARTÍN ÁLVAREZ ◽  
EUDALD CORTINA ORERO
Keyword(s):  
Latin America ◽  
El Salvador ◽  
Early Years ◽  
Left Wing ◽  
Internal Dynamics ◽  
Internal Coherence ◽  
The 1960S

AbstractUsing interviews with former militants and previously unpublished documents, this article traces the genesis and internal dynamics of the Ejército Revolucionario del Pueblo (People's Revolutionary Army, ERP) in El Salvador during the early years of its existence (1970–6). This period was marked by the inability of the ERP to maintain internal coherence or any consensus on revolutionary strategy, which led to a series of splits and internal fights over control of the organisation. The evidence marshalled in this case study sheds new light on the origins of the armed Salvadorean Left and thus contributes to a wider understanding of the processes of formation and internal dynamics of armed left-wing groups that emerged from the 1960s onwards in Latin America.

Culture and the plasticity of perception

2020 ◽  
Vol 43 ◽  
Author(s):  
Michael Lifshitz ◽  
T. M. Luhrmann
Keyword(s):  
Cultural Context ◽  
Sensory Experience ◽  
Cultural Learning ◽  
The World

Abstract Culture shapes our basic sensory experience of the world. This is particularly striking in the study of religion and psychosis, where we and others have shown that cultural context determines both the structure and content of hallucination-like events. The cultural shaping of hallucinations may provide a rich case-study for linking cultural learning with emerging prediction-based models of perception.

Dual systems for all: Higher-order, role-based relational reasoning as a uniquely derived feature of human cognition

2019 ◽  
Vol 42 ◽  
Author(s):  
Daniel J. Povinelli ◽  
Gabrielle C. Glorioso ◽  
Shannon L. Kuznar ◽  
Mateja Pavlic
Keyword(s):  
Temporal Reasoning ◽  
Higher Order ◽  
Important Case ◽  
Human Cognition ◽  
Relational Reasoning ◽  
Dual Systems ◽  
First Order ◽  
Reasoning System ◽  
Role Based

Abstract Hoerl and McCormack demonstrate that although animals possess a sophisticated temporal updating system, there is no evidence that they also possess a temporal reasoning system. This important case study is directly related to the broader claim that although animals are manifestly capable of first-order (perceptually-based) relational reasoning, they lack the capacity for higher-order, role-based relational reasoning. We argue this distinction applies to all domains of cognition.

Sociocultural memory development research drives new directions in gadgetry science

2019 ◽  
Vol 42 ◽  
Author(s):  
Penny Van Bergen ◽  
John Sutton
Keyword(s):  
Episodic Memory ◽  
Autobiographical Memory ◽  
Developmental Psychology ◽  
Cross Cultural ◽  
Memory Development ◽  
Development Research ◽  
Cultural Research ◽  
New Directions ◽  
Cross Cultural Research

Abstract Sociocultural developmental psychology can drive new directions in gadgetry science. We use autobiographical memory, a compound capacity incorporating episodic memory, as a case study. Autobiographical memory emerges late in development, supported by interactions with parents. Intervention research highlights the causal influence of these interactions, whereas cross-cultural research demonstrates culturally determined diversity. Different patterns of inheritance are discussed.

Construction of plastic contact deformation maps on ceramics: a case study on aluminum nitride

1996 ◽  
Vol 54 ◽  
pp. 636-637
Author(s):  
D. L. Callahan
Keyword(s):  
Plastic Deformation ◽  
Aluminum Nitride ◽  
Mechanical Response ◽  
Three Dimensional ◽  
Bright Field Image ◽  
Perfectly Plastic ◽  
Contrast Analysis ◽  
Deformation Patterns

Modern polishing, precision machining and microindentation techniques allow the processing and mechanical characterization of ceramics at nanometric scales and within entirely plastic deformation regimes. The mechanical response of most ceramics to such highly constrained contact is not predictable from macroscopic properties and the microstructural deformation patterns have proven difficult to characterize by the application of any individual technique. In this study, TEM techniques of contrast analysis and CBED are combined with stereographic analysis to construct a three-dimensional microstructure deformation map of the surface of a perfectly plastic microindentation on macroscopically brittle aluminum nitride.The bright field image in Figure 1 shows a lg Vickers microindentation contained within a single AlN grain far from any boundaries. High densities of dislocations are evident, particularly near facet edges but are not individually resolvable. The prominent bend contours also indicate the severity of plastic deformation. Figure 2 is a selected area diffraction pattern covering the entire indentation area.

Sign in / Sign up

Export Citation Format

Share Document