scholarly journals Understanding the Interaction Modes and Reactivity of Trimedoxime toward MmAChE Inhibited by Nerve Agents: Theoretical and Experimental Aspects

2020 ◽  
Vol 21 (18) ◽  
pp. 6510
Author(s):  
Alexandre A. de Castro ◽  
Daniel A. Polisel ◽  
Bruna T. L. Pereira ◽  
Elaine F. F. da Cunha ◽  
Kamil Kuca ◽  
...  
Keyword(s):  
Experimental Data ◽  
Mus Musculus ◽  
Active Site ◽  
Theoretical Calculations ◽  
Nerve Agents ◽  
The Other ◽  
Chemical Weapons ◽  
Reactivation Process ◽  
Other Hand

Organophosphorus (OP) compounds are used as both chemical weapons and pesticides. However, these agents are very dangerous and toxic to humans, animals, and the environment. Thus, investigations with reactivators have been deeply developed in order to design new antidotes with better efficiency, as well as a greater spectrum of action in the acetylcholinesterase (AChE) reactivation process. With that in mind, in this work, we investigated the behavior of trimedoxime toward the Mus musculus acetylcholinesterase (MmAChE) inhibited by a range of nerve agents, such as chemical weapons. From experimental assays, reactivation percentages were obtained for the reactivation of different AChE–OP complexes. On the other hand, theoretical calculations were performed to assess the differences in interaction modes and the reactivity of trimedoxime within the AChE active site. Comparing theoretical and experimental data, it is possible to notice that the oxime, in most cases, showed better reactivation percentages at higher concentrations, with the best result for the reactivation of the AChE–VX adduct. From this work, it was revealed that the mechanistic process contributes most to the oxime efficiency than the interaction in the site. In this way, this study is important to better understand the reactivation process through trimedoxime, contributing to the proposal of novel antidotes.

Understand the interaction modes and reactivity of trimedoxime toward MmAChE inhibited by nerve agents: theoretical and experimental Aspects

2020 ◽  
Author(s):  
Alexandre A. de Castro ◽  
Daniel A. Polisel ◽  
Bruna T. L. Pereira ◽  
Elaine Fontes Ferreira da Cunha ◽  
Kamil Kuca ◽  
...  
Keyword(s):  
Experimental Data ◽  
Mus Musculus ◽  
Active Site ◽  
Organophosphorus Compounds ◽  
Theoretical Calculations ◽  
Nerve Agents ◽  
The Other ◽  
Chemical Weapons ◽  
Reactivation Process ◽  
Other Hand

Abstract The organophosphorus compounds (OP) are used as both chemical weapons and pesticides. However, these agents are very dangerous and toxic to humans, animals, and the environment. Thus, investigations with reactivators have been deeply developed in order to design new antidotes with better efficiency, as well as greater spectrum of action in the AChE reactivation process. With that in mind, in this work, we investigated the behavior of trimedoxime toward the Mus musculus Acetylcholinesterase (MmAChE) inhibited by a range of nerve agents, such as chemical weapons. From experimental essays, reactivation percentages were obtained for the reactivation of different AChE-OP complexes. On the other hand, theoretical calculations were performed to assess the differences of interaction modes and reactivity of trimedoxime within AChE active site. Comparing theoretical and experimental data, it is possible to notice that the oxime, in most case, showed better reactivation percentages at higher concentrations, with the best result for the reactivation of the AChE-VX adduct. From this work, it was revealed that the mechanistic process contributes most to the oxime efficiency than the interaction in the site. In this way, this study was important to better understand the reactivation process through trimedoxime, contributing to the proposal of novel antidotes.

About lung surgery

1903 ◽  
Vol 3 (9-10) ◽  
pp. 548-549
Author(s):  
E. Board
Keyword(s):  
Experimental Data ◽  
Lung Tissue ◽  
Lung Surgery ◽  
Operative Intervention ◽  
The Other ◽  
Pulmonary Diseases ◽  
Other Hand

Lung surgery is one of the youngest departments of surgical science. The basis for the development of methods of operative intervention in pulmonary diseases lies in the 1st possibility of preventing the danger of pneumothorax, which (danger) is currently so insignificant that some surgeons consider it even necessary to cause preliminary pneumothorax. On the other hand, the experimental data have shown the possibility of the loss of parts of the lung tissue and the conditions for the healing of its wounds.

scholarly journals Preparation and Thermal and Anti-UV Properties of Chitosan/Mica Copolymer

2010 ◽  
Vol 2010 ◽  
pp. 1-6 ◽  
Author(s):  
Yih-Sheng Huang ◽  
Sheng-Haur Yu ◽  
Yea-Ru Sheu ◽  
Kuo-Shien Huang
Keyword(s):  
Experimental Data ◽  
Thermal Stability ◽  
Free Radical ◽  
Physical Properties ◽  
Ammonium Persulfate ◽  
Sodium Bisulfite ◽  
The Other ◽  
Other Hand

This experiment aims to produce a free radical while annoying the oxidizing-reducing reagent of the ammonium persulfate and the sodium bisulfite under nitrogen, then trigger copolymerization between modified-mica and chitosan to prepare a variety of copolymers. This experiment also aims to study the related properties of these copolymer materials. The experimental data shows that the copolymer has more thermal stability and better absorption of UV than chitosan. But the above physical properties will be less if the mica ratio in copolymer is more than 8%. On the other hand, the SEM photo of the microstructure also shows that the modified mica distributes homogeneously on the surface of the film of the copolymer.

The Interaction of Carbon Black with Sulfur, MBT and TMTD in Vulcanization

1961 ◽  
Vol 34 (2) ◽  
pp. 588-599 ◽  
Author(s):  
G. A. Blokh ◽  
Ch. L. Melamed
Keyword(s):  
Experimental Data ◽  
Carbon Black ◽  
Chemical Reactions ◽  
The Other ◽  
Considerable Importance ◽  
Physical Aspect ◽  
Active Centers ◽  
Other Hand ◽  
The One

Abstract The experimental data collected on the interaction of active centers of carbon black with the rubber on the one hand and of the active centers of carbon black with the sulfur and accelerators, and also with the antioxidants, on the other hand, provide a sound basis for belief that the problem of reinforcement of rubber by active fillers in the process of vulcanization cannot be explained from the physical aspect alone. The facts indicate the considerable importance of the chemical reactions between the active groups of carbon black and the compounding ingredients in the course of vulcanization.

A Hybrid Semi-empirical Model for Lean Blow-Out Limit Predictions of Aero-engine Combustors

2014 ◽  
Vol 137 (3) ◽  
Author(s):  
Bin Hu ◽  
Yong Huang ◽  
Jianzhong Xu
Keyword(s):  
Experimental Data ◽  
Numerical Simulation ◽  
Empirical Model ◽  
The Other ◽  
Model Parameters ◽  
Model Parameter ◽  
Other Hand ◽  
Aero Engine ◽  
Semi Empirical

According to the Lefebvre's model and flame volume (FV) concept, an FV model about lean blow-out (LBO) was proposed by authors in early study. On the other hand, due to the model parameter (FV) contained in FV model is obtained based on the experimental data, FV model could only be used in LBO analysis instead of prediction. In view of this, a hybrid FV model is proposed that combines the FV model with numerical simulation in the present study. The model parameters contained in the FV model are all estimated from the simulated nonreacting flows. Comparing with the experimental data for 11 combustors, the maximum and average uncertainties of hybrid FV model are ±16% and ±10%.

scholarly journals A note on dynamical compensation and its relation to parameter identifiability

2017 ◽  
Author(s):  
Omer Karin ◽  
Uri Alon ◽  
Eduardo Sontag
Keyword(s):  
Experimental Data ◽  
Steady State ◽  
The Other ◽  
Apparent Discrepancy ◽  
Parameter Identifiability ◽  
Other Hand ◽  
The Face ◽  
System Variables

AbstractWe recently identified a motif for dynamical compensation (DC) – a property where a system maintains the dynamics and steady-state of a regulated variable robust in the face of fluctuations in key parameters. Such parameters are therefore unidentifiable from measurements of the regulated variable at steady-state. On the other hand, since the models showing dynamical compensation are typically non-redundant, their parameters are identifiable from experimental data. We clarify this apparent discrepancy by requiring that the parameters of DC circuits be identifiable both away from steady-state and when measuring other system variables. We use this observation to provide a definition for DC in terms of parameter identifiability and discuss its relevance for the examples provided in Karin et al.

scholarly journals Relevance of single cell and single molecule studies at different biological and physical length scales

2017 ◽  
Author(s):  
Wenfa Ng
Keyword(s):  
Quantum Mechanics ◽  
Single Cell ◽  
Single Molecule ◽  
Active Site ◽  
Covalent Bond ◽  
The Other ◽  
Quantum Mechanical ◽  
Microfluidic Channels ◽  
Other Hand ◽  
Single Molecule Studies

Scale transcends multiple levels of biological and physical organization, and is the critical factor that determines success of any scientific investigation. Specifically, the scale at which a question is posed plays a crucial role in influencing the type of experiments and apparatuses needed. Single cell and single molecule experiments came to the fore of experiment science due to its capability at addressing a fundamental problem in biology and physical science: does the same behavior in cells and molecules transcend different length and population scales? Thus far, single cell experiments could be achieved with trapping of single cell using optical tweezer traps and microfluidic channels. The same, however, is not true for single molecule studies, which remains in the realm of theoretical and simulation studies. Specifically, single molecule experiment remains at the hundreds to thousands of molecules level, where possible skew in the population of molecules sampled could provide a false depiction of molecular reality of a larger population. But, what do scientists learn from single cell and single molecule studies? Is it the uncovering of mysteries of the probabilistic behavior at the single entity level, guided by perhaps quantum mechanics? The answer is no for single cell studies, given that cellular decision making require the input of tens to hundreds of molecular sensors and effectors within a cell. Hence, single cell behavior is not random, but directed at a nutrient or concentration gradient or signaling source. On the other hand, enzymatic catalysis of a single molecule substrate with the active site involves a quantum mechanical crosstalk. Thus, reaction between the substrate molecule and the active site proceeds if suitable energy levels (i.e., quantum mechanical states) are found for both parties. Given that distribution of quantum mechanical states is probabilistic, stochasticity rules single molecule interaction such as a covalent bond formation reaction between reactant A and B. Thus, single cell and single molecule studies do hold relevance in biological and physical sciences research if the correct experiment tool is used for a pertinent question at an appropriate length and population scale. For example, while tremendous amount of basic understanding could be derived from single cell experiments, single cell perspective is not relevant to questions examining the interactions between two large subpopulations of cells. Single molecule experiments, on the other hand, remains in the theoretical and simulation realm for highlighting the effect of quantum mechanics in guiding the behavior of molecules at the nanoscale.

Skin Friction

1911 ◽  
Vol 15 (59) ◽  
pp. 115-118
Author(s):  
W. Ellis Williams
Keyword(s):  
Experimental Data ◽  
Skin Friction ◽  
Laboratory Experiments ◽  
Surface Friction ◽  
Normal Pressure ◽  
The Other ◽  
Other Hand

Among the various experimental data which are required in the discussion of the theory and design of the aeroplane, there are none of greater importance than those relating to surface friction, while at the same time there are none about which greater uncertainty prevails.Owing to the difficulty of separating skin friction from head resistance, very little can be learnt from observations on actual machines in flight, while on the other hand, if we turn to laboratory experiments on the resistance of planes, we are met with the most bewildering variations in the values obtained for it. Many of the most careful experimenters make out that it is quite inappreciable while others maintain that it is from 1—4 per cent. of the normal pressure, and therefore forms an important part of the drift at small angles of attack.

Plastic Collapse Stresses for Pipes With Circumferential Twin Flaws Using Combination Rules

2018 ◽  
Author(s):  
Kunio Hasegawa ◽  
Yinsheng Li ◽  
Yun-Jae Kim ◽  
Valery Lacroix ◽  
Bohumir Strnadel
Keyword(s):  
Experimental Data ◽  
Stainless Steel ◽  
Analytical Procedure ◽  
The Other ◽  
Plastic Collapse ◽  
Combination Rules ◽  
Steel Pipes ◽  
Other Hand ◽  
Bending Stresses

When discrete multiple flaws are in the same plane, and they are close to each other, it can be determined whether they are combined or standalone in accordance with combination rules provided by fitness-for-service (FFS) codes, such as ASME, JSME, BS7910, FKM, WES2805, etc. However, specific criteria of the rules are different amongst these FFS codes. On the other hand, plastic collapse bending stresses for stainless steel pipes with circumferential twin flaws were obtained by experiments and the prediction procedure for collapse stresses for pipes with twin flaws were developed analytically. Using the experimental data and the analytical procedure, plastic collapse stresses for pipes with twin flaws are compared with the stresses in compliance with the combination criteria. It is shown that the calculated plastic collapse stresses based on the combination criteria are significantly different from the experimental and analytical stresses.

The Load Dependence of Side Force and Self-Aligning Torque of Pneumatic Tires

1970 ◽  
Vol 43 (5) ◽  
pp. 995-1004
Author(s):  
A. Schallamach
Keyword(s):  
Experimental Data ◽  
Natural Rubber ◽  
The Other ◽  
Research Association ◽  
Side Force ◽  
Load Dependence ◽  
Other Hand ◽  
Force Curves ◽  
Theoretical Side ◽  
Pneumatic Tires

Abstract A conclusion to be drawn from this analysis of the load dependence of side force and self-aligning torque of pneumatic tires is that agreement between experimental and theoretical side force curves does not necessarily prove the soundness of the theory. On the other hand, even an inadequate theory is successful in suggesting a predictable and useful interrelation between load and slip dependence of the side force. Figure 4 demonstrates that quite a primitive transform of experimental data can lead to a unified presentation of its load and slip dependence although the resulting curve deviates quantitatively from theory in this particular case. This work forms part of a program of research undertaken by the Natural Rubber Producers' Research Association.

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