A Novel Strategy to Study Electrostatic Effects in Chemical Reactions: Differences between the Role of Solvent and the Active Site of Chalcone Isomerase in a Michael Addition

2012 ◽  
Vol 8 (5) ◽  
pp. 1532-1535 ◽  
Author(s):  
J. Javier Ruiz-Pernía ◽  
Sergio Martí ◽  
Vicent Moliner ◽  
Iñaki Tuñón
Keyword(s):  
Chemical Reactions ◽  
Michael Addition ◽  
Active Site ◽  
Chalcone Isomerase ◽  
Electrostatic Effects ◽  
Novel Strategy ◽  
Role Of Solvent

A Single-Molecule Perspective on the Role of Solvent Hydrogen Bonds in Protein Folding and Chemical Reactions

ChemPhysChem ◽  
2008 ◽  
Vol 9 (18) ◽  
pp. 2836-2847 ◽  
Author(s):  
Lorna Dougan ◽  
Ainavarapu Sri Rama Koti ◽  
Georgi Genchev ◽  
Hui Lu ◽  
Julio M. Fernandez
Keyword(s):  
Protein Folding ◽  
Hydrogen Bonds ◽  
Chemical Reactions ◽  
Single Molecule ◽  
Role Of Solvent

Fine structure and properties of defects in naturally occurring silicates and oxides

1990 ◽  
Vol 48 (4) ◽  
pp. 460-461
Author(s):  
David R. Veblen
Keyword(s):  
Chemical Reactions ◽  
High Resolution Electron Microscopy ◽  
Extended Defects ◽  
Single Chain ◽  
Naturally Occurring ◽  
Resolution Electron ◽  
Fine Structures ◽  
Image Simulations ◽  
Similar Crystal Structure

Extended defects and interfaces control many processes in rock-forming minerals, from chemical reactions to rock deformation. In many cases, it is not the average structure of a defect or interface that is most important, but rather the structure of defect terminations or offsets in an interface. One of the major thrusts of high-resolution electron microscopy in the earth sciences has been to identify the role of defect fine structures in reactions and to determine the structures of such features. This paper will review studies using HREM and image simulations to determine the structures of defects in silicate and oxide minerals and present several examples of the role of defects in mineral chemical reactions. In some cases, the geological occurrence can be used to constrain the diffusional properties of defects.The simplest reactions in minerals involve exsolution (precipitation) of one mineral from another with a similar crystal structure, and pyroxenes (single-chain silicates) provide a good example. Although conventional TEM studies have led to a basic understanding of this sort of phase separation in pyroxenes via spinodal decomposition or nucleation and growth, HREM has provided a much more detailed appreciation of the processes involved.

Catalytic Resonance Theory: Parallel Reaction Pathway Control

2019 ◽  
Author(s):  
M. Alexander Ardagh ◽  
Manish Shetty ◽  
Anatoliy Kuznetsov ◽  
Qi Zhang ◽  
Phillip Christopher ◽  
...  
Keyword(s):  
Chemical Reactions ◽  
Active Site ◽  
Active Sites ◽  
Reaction Pathway ◽  
Control Strategies ◽  
Oscillation Amplitude ◽  
Catalytic Performance ◽  
Parallel Reaction ◽  
Resonance Theory ◽  
Static Conditions

Catalytic enhancement of chemical reactions via heterogeneous materials occurs through stabilization of transition states at designed active sites, but dramatically greater rate acceleration on that same active site is achieved when the surface intermediates oscillate in binding energy. The applied oscillation amplitude and frequency can accelerate reactions orders of magnitude above the catalytic rates of static systems, provided the active site dynamics are tuned to the natural frequencies of the surface chemistry. In this work, differences in the characteristics of parallel reactions are exploited via selective application of active site dynamics (0 < ΔU < 1.0 eV amplitude, 10<sup>-6</sup> < f < 10<sup>4</sup> Hz frequency) to control the extent of competing reactions occurring on the shared catalytic surface. Simulation of multiple parallel reaction systems with broad range of variation in chemical parameters revealed that parallel chemistries are highly tunable in selectivity between either pure product, even when specific products are not selectively produced under static conditions. Two mechanisms leading to dynamic selectivity control were identified: (i) surface thermodynamic control of one product species under strong binding conditions, or (ii) catalytic resonance of the kinetics of one reaction over the other. These dynamic parallel pathway control strategies applied to a host of chemical conditions indicate significant potential for improving the catalytic performance of many important industrial chemical reactions beyond their existing static performance.

scholarly journals Toward a Better Understanding of Metal Nanoparticles, a Novel Strategy from Eucalyptus Plants

Plants ◽  
2021 ◽  
Vol 10 (5) ◽  
pp. 929
Author(s):  
Hanadi Sawalha ◽  
Rambod Abiri ◽  
Ruzana Sanusi ◽  
Noor Azmi Shaharuddin ◽  
Aida Atiqah Mohd Noor ◽  
...  
Keyword(s):  
Metal Nanoparticles ◽  
Woody Plants ◽  
Woody Species ◽  
Forest Products ◽  
Ideal Candidate ◽  
Promising Tool ◽  
Novel Strategy ◽  
The Ideal

Nanotechnology is a promising tool that has opened the doors of improvement to the quality of human’s lives through its potential in numerous technological aspects. Green chemistry of nanoscale materials (1–100 nm) is as an effective and sustainable strategy to manufacture homogeneous nanoparticles (NPs) with unique properties, thus making the synthesis of green NPs, especially metal nanoparticles (MNPs), the scientist’s core theme. Researchers have tested different organisms to manufacture MNPs and the results of experiments confirmed that plants tend to be the ideal candidate amongst all entities and are suitable to synthesize a wide variety of MNPs. Natural and cultivated Eucalyptus forests are among woody plants used for landscape beautification and as forest products. The present review has been written to reflect the efficacious role of Eucalyptus in the synthesis of MNPs. To better understand this, the route of extracting MNPs from plants, in general, and Eucalyptus, in particular, are discussed. Furthermore, the crucial factors influencing the process of MNP synthesis from Eucalyptus as well as their characterization and recent applications are highlighted. Information gathered in this review is useful to build a basis for new prospective research ideas on how to exploit this woody species in the production of MNPs. Nevertheless, there is a necessity to feed the scientific field with further investigations on wider applications of Eucalyptus-derived MNPs.

Specialized, pro-resolving mediators as potential therapeutic agents for alleviating fibromyalgia symptomatology

Pain Medicine ◽  
2021 ◽  
Author(s):  
Gregory Livshits ◽  
Alexander Kalinkovich
Keyword(s):  
Animal Experiments ◽  
Therapeutic Agents ◽  
Treatment Modalities ◽  
Inflammatory Factors ◽  
Gut Dysbiosis ◽  
Unsuccessful Treatment ◽  
Pain Sensitization ◽  
Novel Strategy ◽  
Inflammation Resolution

Abstract Objective To present a hypothesis on a novel strategy in the treatment of fibromyalgia (FM). Design A narrative review. Setting FM as a disease remains a challenging concept for numerous reasons, including undefined etiopathogenesis, unclear triggers and unsuccessful treatment modalities. We hypothesize that the inflammatome, the entire set of molecules involved in inflammation, acting as a common pathophysiological instrument of gut dysbiosis, sarcopenia, and neuroinflammation, is one of the major mechanisms underlying FM pathogenesis. In this setup, dysbiosis is proposed as the primary trigger of the inflammatome, sarcopenia as the peripheral nociceptive source, and neuroinflammation as the central mechanism of pain sensitization, transmission and symptomatology of FM. Whereas neuroinflammation is highly-considered as a critical deleterious element in FM pathogenesis, the presumed pathogenic roles of sarcopenia and systemic inflammation remain controversial. Nevertheless, sarcopenia-associated processes and dysbiosis have been recently detected in FM individuals. The prevalence of pro-inflammatory factors in the cerebrospinal fluid and blood has been repeatedly observed in FM individuals, supporting an idea on the role of inflammatome in FM pathogenesis. As such, failed inflammation resolution might be one of the underlying pathogenic mechanisms. In accordance, the application of specialized, inflammation pro-resolving mediators (SPMs) seems most suitable for this goal. Conclusions The capability of various SPMs to prevent and attenuate pain has been repeatedly demonstrated in laboratory animal experiments. Since SPMs suppress inflammation in a manner that does not compromise host defense, they could be attractive and safe candidates for the alleviation of FM symptomatology, probably in combination with anti-dysbiotic medicine.

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