Interfacial acidity on the strontium titanate surface: A scaling paradigm and the role of the hydrogen bond

2021 ◽  
Author(s):  
Robert Chapleski ◽  
Azhad U. Chowdhury ◽  
Kyle R. Mason ◽  
Robert Lee Sacci ◽  
Benjamin Doughty ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Strontium Titanate ◽  
Surface Interactions ◽  
Chemical Transformations ◽  
Fundamental Understanding ◽  
Molecule Surface

A fundamental understanding of acidity at an interface, as mediated by structure and molecule-surface interactions, is essential to elucidate the mechanisms of a range of chemical transformations. While the strength...

scholarly journals Interfacial Acidity on Oxide Surfaces: A Scaling Paradigm and the Role of the Hydrogen Bond

2020 ◽  
Author(s):  
Robert Chapleski ◽  
Azhad U. Chowdhury ◽  
Kyle Mason ◽  
Robert Sacci ◽  
Benjamin Doughty ◽  
...  
Keyword(s):  
Density Functional ◽  
Critical Role ◽  
Surface Interactions ◽  
Van Der Waals Interactions ◽  
Chemical Transformations ◽  
Acid Base ◽  
Functional Theory ◽  
Fundamental Understanding ◽  
Molecule Surface

<p><a></a>A fundamental understanding of acidity at an interface, as mediated by structure and molecule-surface interactions, is essential to elucidate the mechanisms of a range of chemical transformations. While the strength­­­­ of an acid in the gas and solution phases is conceptually well understood, how acid-base chemistry works at an interface is notoriously more complicated. Using density functional theory and nonlinear vibrational spectroscopy, we have developed a method to determine the interfacial Brønsted-Lowry acidity of aliphatic alcohols adsorbed on the {100} surface of the model perovskite, strontium titanate. Here we show that, while shorter and less branched alkanols are less acidic as a gas and more acidic in solution, shorter alcohols are less acidic whereas less substituted alkanols are more acidic at the gas-surface interface. Hydrogen bonding plays a critical role in defining acidity, whereas structure-acidity relationships are dominated by van der Waals interactions between the alcohol and the surface.</p><p><a></a></p><p> </p>

Interfacial Acidity on Oxide Surfaces: A Scaling Paradigm and the Role of the Hydrogen Bond

2020 ◽  
Author(s):  
Robert Chapleski ◽  
Azhad U. Chowdhury ◽  
Kyle Mason ◽  
Robert Sacci ◽  
Benjamin Doughty ◽  
...  
Keyword(s):  
Density Functional ◽  
Critical Role ◽  
Surface Interactions ◽  
Van Der Waals Interactions ◽  
Chemical Transformations ◽  
Acid Base ◽  
Functional Theory ◽  
Fundamental Understanding ◽  
Molecule Surface

<p><a></a>A fundamental understanding of acidity at an interface, as mediated by structure and molecule-surface interactions, is essential to elucidate the mechanisms of a range of chemical transformations. While the strength­­­­ of an acid in the gas and solution phases is conceptually well understood, how acid-base chemistry works at an interface is notoriously more complicated. Using density functional theory and nonlinear vibrational spectroscopy, we have developed a method to determine the interfacial Brønsted-Lowry acidity of aliphatic alcohols adsorbed on the {100} surface of the model perovskite, strontium titanate. Here we show that, while shorter and less branched alkanols are less acidic as a gas and more acidic in solution, shorter alcohols are less acidic whereas less substituted alkanols are more acidic at the gas-surface interface. Hydrogen bonding plays a critical role in defining acidity, whereas structure-acidity relationships are dominated by van der Waals interactions between the alcohol and the surface.</p><p><a></a></p><p> </p>

scholarly journals Correction: Interfacial acidity on the strontium titanate surface: a scaling paradigm and the role of the hydrogen bond

2022 ◽  
Author(s):  
Robert C. Chapleski ◽  
Azhad U. Chowdhury ◽  
Kyle R. Mason ◽  
Robert L. Sacci ◽  
Benjamin Doughty ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Strontium Titanate ◽  
Chem Phys ◽  
Phys Chem Chem Phys

Correction for ‘Interfacial acidity on the strontium titanate surface: a scaling paradigm and the role of the hydrogen bond’ by Robert C. Chapleski, Jr. et al., Phys. Chem. Chem. Phys., 2021, 23, 23478–23485, DOI: 10.1039/D1CP03587H.

Imaging of Pancreatic-Neuroendocrine Tumours: An Outline of Conventional Radiological Techniques

2019 ◽  
Vol 12 (2) ◽  
pp. 135-155 ◽  
Author(s):  
Muhammad Affan Zamir ◽  
Wasim Hakim ◽  
Siraj Yusuf ◽  
Robert Thomas
Keyword(s):  
Neuroendocrine Tumours ◽  
Treatment Options ◽  
Advantages And Disadvantages ◽  
Imaging Characteristics ◽  
Fundamental Understanding ◽  
Pancreatic Neuroendocrine Tumours ◽  
Direct Management ◽  
Important Disease ◽  
Similar Imaging

IIntroduction: Pancreatic Neuroendocrine Tumours (p-NETs) are an important disease entity and comprise of peptide-secreting tumours often with a functional syndrome. : Accounting for a small percentage of all pancreatic tumours, they have a good overall survival rate when diagnosed early, with surgery being curative. The role of nuclear medicine in the diagnosis and treatment of these tumours is evident. However, the vast majority of patients will require extensive imaging in the form of conventional radiological techniques. It is important for clinicians to have a fundamental understanding of the p-NET appearances to aid prompt identification and to help direct management through neoplastic staging. Methods: This article will review the advantages and disadvantages of conventional radiological techniques in the context of p-NETs and highlight features that these tumours exhibit. Conclusion: Pancreatic neuroendocrine tumours are a unique collection of neoplasms that have markedly disparate clinical features but similar imaging characteristics. Most p-NETs are small and welldefined with homogenous enhancement following contrast administration, although larger and less welldifferentiated tumours can demonstrate areas of necrosis and cystic architecture with heterogeneous enhancement characteristics. : Prognosis is generally favourable for these tumours with various treatment options available. However, conventional radiological techniques will remain the foundation for the initial diagnosis and staging of these tumours, and a grasp of these modalities is extremely important for physicians.

Capillary Imbibition Dynamics in Porous Media

2014 ◽  
Author(s):  
Swayamdipta Bhaduri ◽  
Pankaj Sahu ◽  
Siddhartha Das ◽  
Aloke Kumar ◽  
Sushanta K. Mitra
Keyword(s):  
Porous Medium ◽  
Porous Media ◽  
Paper Strip ◽  
Capillary Imbibition ◽  
Flow Physics ◽  
Fundamental Understanding ◽  
Paper Based Microfluidics ◽  
To Come

The phenomenon of capillary imbibition through porous media is important both due to its applications in several disciplines as well as the involved fundamental flow physics in micro-nanoscales. In the present study, where a simple paper strip plays the role of a porous medium, we observe an extremely interesting and non-intuitive wicking or imbibition dynamics, through which we can separate water and dye particles by allowing the paper strip to come in contact with a dye solution. This result is extremely significant in the context of understanding paper-based microfluidics, and the manner in which the fundamental understanding of the capillary imbibition phenomenon in a porous medium can be used to devise a paper-based microfluidic separator.

Role of the hydrogen bond donor component for a proper development of novel hydrophobic deep eutectic solvents

2019 ◽  
Vol 281 ◽  
pp. 423-430 ◽  
Author(s):  
Matteo Tiecco ◽  
Federico Cappellini ◽  
Francesco Nicoletti ◽  
Tiziana Del Giacco ◽  
Raimondo Germani ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Deep Eutectic Solvents ◽  
Hydrogen Bond Donor

scholarly journals On the role of hydrogen-bond exchanges in the spectral diffusion of water

2021 ◽  
Vol 154 (6) ◽  
pp. 064501
Author(s):  
Zeke A. Piskulich ◽  
Damien Laage ◽  
Ward H. Thompson
Keyword(s):  
Hydrogen Bond ◽  
Spectral Diffusion

Kinematical evolution of Globular Clusters

2019 ◽  
Vol 14 (S351) ◽  
pp. 524-527
Author(s):  
Maria A. Tiongco ◽  
Enrico Vesperini ◽  
Anna Lisa Varri
Keyword(s):  
Angular Momentum ◽  
Structural Properties ◽  
Globular Clusters ◽  
Velocity Dispersion ◽  
Three Dimensional ◽  
Stellar Populations ◽  
Velocity Space ◽  
Fundamental Understanding

AbstractWe present several results of the study of the evolution of globular clusters’ internal kinematics, as driven by two-body relaxation and the interplay between internal angular momentum and the external Galactic tidal field. Via a large suite of N-body simulations, we explored the three-dimensional velocity space of tidally perturbed clusters, by characterizing their degree of velocity dispersion anisotropy and their rotational properties. These studies have shown that a cluster’s kinematical properties contain distinct imprints of the cluster’s initial structural properties, dynamical history, and tidal environment. Building on this fundamental understanding, we then studied the dynamics of multiple stellar populations in globular clusters, with attention to the largely unexplored role of angular momentum.

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