scholarly journals Zeolites as Scaffolds for Metal Nanoclusters

2021 ◽  
Author(s):  
Eduard Fron
Keyword(s):  
Reaction Mechanisms ◽  
Metal Clusters ◽  
Photophysical Properties ◽  
Research Articles ◽  
Photostimulated Luminescence ◽  
Metal Nanoclusters ◽  
Computational Approaches ◽  
Excellent Research ◽  
Emitting Species ◽  
Insight Into

This chapter critically reviews the studies related to structural and photophysical properties of metal clusters within zeolites matrices and summarizes the progress made in understanding the host-guest interactions. The goal is to provide useful insight into the nature of such interactions and experiments used in identifying the excited state dynamics and the reaction mechanisms leading to the emitting species. Especially interesting are the combined experimental and computational approaches used to elucidate the structures and electronic transition of clusters inside the cavity. Although a number of excellent research articles have been published in the last years they only cover rather specific areas like organic photochemistry, confinement, charge transfer, theoretical modeling or photostimulated luminescence.

Computational Approaches to Predict the Non-canonical DNAs

2019 ◽  
Vol 14 (6) ◽  
pp. 470-479 ◽  
Author(s):  
Nazia Parveen ◽  
Amen Shamim ◽  
Seunghee Cho ◽  
Kyeong Kyu Kim
Keyword(s):  
Computational Methods ◽  
Genetic Instability ◽  
Computational Prediction ◽  
Structure And Function ◽  
Sequence Motifs ◽  
Computational Approaches ◽  
Functional Roles ◽  
And Function ◽  
Genetic Events ◽  
Insight Into

Background: Although most nucleotides in the genome form canonical double-stranded B-DNA, many repeated sequences transiently present as non-canonical conformations (non-B DNA) such as triplexes, quadruplexes, Z-DNA, cruciforms, and slipped/hairpins. Those noncanonical DNAs (ncDNAs) are not only associated with many genetic events such as replication, transcription, and recombination, but are also related to the genetic instability that results in the predisposition to disease. Due to the crucial roles of ncDNAs in cellular and genetic functions, various computational methods have been implemented to predict sequence motifs that generate ncDNA. Objective: Here, we review strategies for the identification of ncDNA motifs across the whole genome, which is necessary for further understanding and investigation of the structure and function of ncDNAs. Conclusion: There is a great demand for computational prediction of non-canonical DNAs that play key functional roles in gene expression and genome biology. In this study, we review the currently available computational methods for predicting the non-canonical DNAs in the genome. Current studies not only provide an insight into the computational methods for predicting the secondary structures of DNA but also increase our understanding of the roles of non-canonical DNA in the genome.

scholarly journals Simulation of Folding Kinetics for Aligned RNAs

Genes ◽  
2021 ◽  
Vol 12 (3) ◽  
pp. 347
Author(s):  
Jiabin Huang ◽  
Björn Voß
Keyword(s):  
Evolutionary Conservation ◽  
Folding Kinetics ◽  
New Approach ◽  
Computational Approaches ◽  
Reasonable Time ◽  
Valuable Method ◽  
Kinetics Of ◽  
Insight Into ◽  
Folding Space ◽  
Standing Problem

Studying the folding kinetics of an RNA can provide insight into its function and is thus a valuable method for RNA analyses. Computational approaches to the simulation of folding kinetics suffer from the exponentially large folding space that needs to be evaluated. Here, we present a new approach that combines structure abstraction with evolutionary conservation to restrict the analysis to common parts of folding spaces of related RNAs. The resulting algorithm can recapitulate the folding kinetics known for single RNAs and is able to analyse even long RNAs in reasonable time. Our program RNAliHiKinetics is the first algorithm for the simulation of consensus folding kinetics and addresses a long-standing problem in a new and unique way.

Metal and size effects on structures and photophysical properties of porphyrin-modified metal nanoclusters

2003 ◽  
Vol 13 (12) ◽  
pp. 2890 ◽  
Author(s):  
Hiroshi Imahori ◽  
Yukiyasu Kashiwagi ◽  
Takeshi Hanada ◽  
Yoshiyuki Endo ◽  
Yoshinobu Nishimura ◽  
...  
Keyword(s):  
Size Effects ◽  
Photophysical Properties ◽  
Metal Nanoclusters

Scientific registers in contact

2009 ◽  
Vol 14 (4) ◽  
pp. 524-548 ◽  
Author(s):  
Elke Teich ◽  
Mônica Holtz
Keyword(s):  
Computer Science ◽  
Computational Linguistics ◽  
Research Articles ◽  
Functional Variation ◽  
Scientific Texts ◽  
Scientific Disciplines ◽  
Scientific Research Articles ◽  
And Linguistics ◽  
Insight Into ◽  
Linguistic Means

We report on a project investigating the lexico-grammatical properties of English scientific texts. The goal of this project is to gain insight into the linguistic effects of two scientific disciplines coming into contact with one another (e.g. computer science and linguistics) and possibly forming a merged, new discipline (i.e. computational linguistics). The crucial question to be addressed is how such merged disciplines construe their own, distinctive identity and which kinds of linguistic means they employ to this end. To approach this question, we apply the notion of register, i.e. functional variation or variation according to context of use. On the basis of a corpus of scientific research articles from nine scientific domains, we explore selected lexico-grammatical patterns and assess their contribution to register formation.

The emerging molecular structure of the nitrogen cycle: an introduction to the proceedings of the 10th annual N-cycle meeting

2005 ◽  
Vol 33 (1) ◽  
pp. 113-118 ◽  
Author(s):  
C.S. Butler ◽  
D.J. Richardson
Keyword(s):  
Structural Biology ◽  
Nitrogen Cycle ◽  
Reaction Mechanisms ◽  
Spectroscopic Analysis ◽  
Three Dimensional ◽  
Chemical Transformations ◽  
Redox Active ◽  
Active Metal ◽  
Insight Into ◽  
Redox Active Metal

Over the last 10 years, during the lifetime of the nitrogen cycle meetings, structural biology, coupled with spectroscopy, has had a major impact of our understanding enzymology of the nitrogen cycle. The three-dimensional structures for many of the key enzymes have now been resolved and have provided a wealth of information regarding the architecture of redox active metal sites, as well as revealing novel structural folds. Coupled with structure-based spectroscopic analysis, this has led to new insight into the reaction mechanisms of the diverse chemical transformations that together cycle nitrogen in the biosphere. An overview of the some of the key developments in field over the last decade is presented.

scholarly journals Arenium cation or radical cation? An insight into the cyclodehydrogenation reaction of 2-substituted binaphthyls mediated by Lewis acids

RSC Advances ◽  
2020 ◽  
Vol 10 (37) ◽  
pp. 21974-21985
Author(s):  
Patricia Camargo Solórzano ◽  
María T. Baumgartner ◽  
Marcelo Puiatti ◽  
Liliana B. Jimenez
Keyword(s):  
Radical Cation ◽  
Lewis Acid ◽  
Reaction Mechanisms ◽  
Lewis Acids ◽  
Acid Synthesis ◽  
Theoretical Studies ◽  
Insight Into

Cyclodehydrogenation reactions of 2-substituted binaphthyls induced by a Lewis acid. Synthesis and theoretical studies of the reaction mechanisms.

scholarly journals Theoretical insight into the photophysical properties of six heteroleptic Ir(iii) phosphorescent complexes bearing ppy-type ligands

2019 ◽  
Vol 18 (11) ◽  
pp. 2766-2772 ◽  
Author(s):  
Deming Han ◽  
Lihui Zhao ◽  
Xuerong Han
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Photophysical Properties ◽  
Time Dependent ◽  
Functional Theory ◽  
Theoretical Insight ◽  
Insight Into ◽  
Dependent Density

By using density functional theory and time-dependent density functional theory, the geometrical, electronic and photophysical properties of six complexes with two ppy-type ligands and one acetylacetone anion around the Ir center have been explored.

scholarly journals Decision Support: Time for Collaboration

2011 ◽  
Vol 20 (01) ◽  
pp. 102-104
Author(s):  
A. Guardia ◽  
Keyword(s):  
Decision Support ◽  
Clinical Decision Support ◽  
Support Systems ◽  
Clinical Decision Support Systems ◽  
Clinical Decision ◽  
Research Articles ◽  
Health Record ◽  
Excellent Research ◽  
Support Time ◽  
Selection Of

SummaryTo summarize current outstanding research in the field of decision support.A selection of excellent research articles published in 2010 in the field of computerized clinical decision support systems.This selection of articles shows that deci- sion support systems (DSS) are getting better integrated into the electronic health record systems (EHR) and into the clinician’s workflow. As a result, there is a better collaboration between physicians and DSS, which improves the care of patients.

Sign in / Sign up

Export Citation Format

Share Document