Switchable Chemoselectivity of Reactive Intermediates Formation and Their Direct Use in A Flow Microreactor

2021 ◽  
Author(s):  
Yosuke Ashikari ◽  
Takashi Tamaki ◽  
Tomoko Kawaguchi ◽  
Mai Furusawa ◽  
Yuya Yonekura ◽  
...  
Keyword(s):  
Reactive Intermediates ◽  
Flow Microreactor ◽  
Direct Use

Radical Enzymes Control the Chemistry of Their Highly Reactive Intermediates Using the Quantum Coulombic Effect

2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Reactive Intermediates ◽  
Hydrogen Bonding Interaction ◽  
Orbital Ordering ◽  
Dynamic Nature ◽  
Radical Intermediate ◽  
Highest Occupied Molecular Orbital ◽  
Bonding Interaction ◽  
Close Proximity

Here, we report an exquisite strategy that the B12 enzymes exploit to manipulate the reactivity of their radical intermediate (Adenosyl radical). Based on the quantum-mechanic calculations, these enzymes utilize a little known long-ranged through space quantum Coulombic effect (QCE). The QCE causes the radical to acquire an electronic structure that contradicts the Aufbau Principle: The singly-occupied molecular orbital (SOMO) is no longer the highest-occupied molecular orbital (HOMO) and the radical is unable to react with neighbouring substrates. The dynamic nature of the enzyme and its structure is expected to be such that the reactivity of the radical is not restored until it is moved into close proximity of the target substrate. We found that the hydrogen bonding interaction between the nearby conserved glutamate residue and the ribose ring of Adenosyl radical plays a crucial role in manipulating the orbital ordering

Radical Enzymes Control the Chemistry of Their Highly Reactive Intermediates Using the Quantum Coulombic Effect

2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Reactive Intermediates ◽  
Hydrogen Bonding Interaction ◽  
Orbital Ordering ◽  
Dynamic Nature ◽  
Radical Intermediate ◽  
Highest Occupied Molecular Orbital ◽  
Bonding Interaction ◽  
Close Proximity

Here, we report an exquisite strategy that the B12 enzymes exploit to manipulate the reactivity of their radical intermediate (Adenosyl radical). Based on the quantum-mechanic calculations, these enzymes utilize a little known long-ranged through space quantum Coulombic effect (QCE). The QCE causes the radical to acquire an electronic structure that contradicts the Aufbau Principle: The singly-occupied molecular orbital (SOMO) is no longer the highest-occupied molecular orbital (HOMO) and the radical is unable to react with neighbouring substrates. The dynamic nature of the enzyme and its structure is expected to be such that the reactivity of the radical is not restored until it is moved into close proximity of the target substrate. We found that the hydrogen bonding interaction between the nearby conserved glutamate residue and the ribose ring of Adenosyl radical plays a crucial role in manipulating the orbital ordering

Survey for Transition of Normal Reaction

2018 ◽  
Vol 5 (3) ◽  
Author(s):  
Hassan Akbari Rahimi
Keyword(s):  
Transition State ◽  
Reactive Intermediates ◽  
The State ◽  
Energy Profile ◽  
Normal Reaction ◽  
Unstable Molecules ◽  
The Difference ◽  
Bond Vibration ◽  
Unstable Molecule ◽  
Profile Diagram

Transition of reaction is a short-lived unstable molecule in a reaction which is formed in between the reaction when reactants change into products. Whereas, transition state is just the state before formation of new molecule (involves breaking of bonds of reactants and formation of new ones) Transition of reaction differs from a transition state in that the intermediate has a discrete lifetime (be it a few nanoseconds or many days), whereas a transition state lasts for just one bond vibration cycle. Intermediates may be unstable molecules (in which case they are called reactive intermediates) or highly stable molecules. The difference between them can be better described through the energy profile diagram.

Facial features as character predictors: phenotypic approach testing

2019 ◽  
Author(s):  
Vitalii Shymko
Keyword(s):  
Psychological Characteristics ◽  
Character Traits ◽  
Facial Features ◽  
Direct Use

<p>This paper presents the results of testing the hypotheses concerning the connection between some phenotypic bodily features and such individual psychological characteristics as aggressiveness, impetuosity, pedantry, passivity, etc. In particular, studied the validity of using appropriate representations of phenotypology to predict respective character traits. The results obtained disprove the possibility of a direct use of the phenotypic approach for reliable characterological profiling.</p>

Experimental Research on the Qualitative Characteristics of Iron Ores and Ferrous Waste That Can Be Used in Blast Furnace Mixt Injection Technology

2019 ◽  
Vol 70 (11) ◽  
pp. 3835-3842
Author(s):  
Mihai Dumitru Tudor ◽  
Mircea Hritac ◽  
Nicolae Constantin ◽  
Mihai Butu ◽  
Valeriu Rucai ◽  
...  
Keyword(s):  
Blast Furnace ◽  
Experimental Research ◽  
Raw Materials ◽  
Coal Dust ◽  
Production Costs ◽  
Iron Ores ◽  
Fine Grained ◽  
Experimental Laboratory ◽  
Injection Technology ◽  
Direct Use

Direct use of iron ores in blast furnaces, without prior sintering leads to a reduction in production costs and energy consumption [1,2]. Fine-grained iron ores and iron oxides from ferrous wastes can be used together with coal dust and limestone in mixed injection technology through the furnace tuyeres. In this paper are presented the results of experimental laboratory investigations for establishing the physic-chemical characteristics of fine materials (iron ore, limestone, pulverized coal) susceptible to be used for mixed injection in blast furnace. [1,4]. The results of the experimental research have shown that all the raw materials analyzed can be used for mixt injection in blast furnace.

Nanoparticles Functionalized with Venom-Derived Peptides and Toxins for Pharmaceutical Applications

2020 ◽  
Vol 21 (2) ◽  
pp. 97-109 ◽  
Author(s):  
Ana P. dos Santos ◽  
Tamara G. de Araújo ◽  
Gandhi Rádis-Baptista
Keyword(s):  
Oral Absorption ◽  
Current Data ◽  
Pharmacological Activities ◽  
Venom Peptides ◽  
Essential Components ◽  
Wide Range ◽  
Different Types ◽  
Direct Use ◽  
Animal Venoms ◽  
Pharmaceutical Biotechnology

Venom-derived peptides display diverse biological and pharmacological activities, making them useful in drug discovery platforms and for a wide range of applications in medicine and pharmaceutical biotechnology. Due to their target specificities, venom peptides have the potential to be developed into biopharmaceuticals to treat various health conditions such as diabetes mellitus, hypertension, and chronic pain. Despite the high potential for drug development, several limitations preclude the direct use of peptides as therapeutics and hamper the process of converting venom peptides into pharmaceuticals. These limitations include, for instance, chemical instability, poor oral absorption, short halflife, and off-target cytotoxicity. One strategy to overcome these disadvantages relies on the formulation of bioactive peptides with nanocarriers. A range of biocompatible materials are now available that can serve as nanocarriers and can improve the bioavailability of therapeutic and venom-derived peptides for clinical and diagnostic application. Examples of isolated venom peptides and crude animal venoms that have been encapsulated and formulated with different types of nanomaterials with promising results are increasingly reported. Based on the current data, a wealth of information can be collected regarding the utilization of nanocarriers to encapsulate venom peptides and render them bioavailable for pharmaceutical use. Overall, nanomaterials arise as essential components in the preparation of biopharmaceuticals that are based on biological and pharmacological active venom-derived peptides.

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