scholarly journals Effects of block shape and inclination on the stability of melange bimrocks

2021 ◽  
Author(s):  
Maria Lia Napoli ◽  
Monica Barbero ◽  
Claudio Scavia
Keyword(s):  
Forming Process ◽  
Stability Of Slopes ◽  
Wide Range ◽  
The Matrix ◽  
Mechanical Behaviours ◽  
Strong Rock ◽  
The Stability ◽  
Internal Block ◽  
Geological Units ◽  
Complex Formations

AbstractA wide range of heterogeneous geological units composed of strong rock blocks enclosed in a bonded matrix of fine texture exists worldwide. Such geomaterials belong to geotechnically complex formations and are often referred to as bimrocks (block-in-matrix rocks) or bimsoils (block-in-matrix soils), as a function of their matrix characteristics and the interface strength between the matrix and blocks. Stability problems occurring in such complex geomaterials have been analysed almost exclusively by means of deterministic approaches and with the aim of investigating the effects of variable block contents on their mechanical behaviour. However, bimrocks and bimsoils can present very different internal block-in-matrix arrangements and properties according to their forming process and, consequently, significantly dissimilar mechanical behaviours. Therefore, the aim of this paper was to statistically investigate and compare the stability of theoretical slopes in the most widespread bimrock formations, i.e. sedimentary and tectonic melanges. These formations are characterised by substantial differences in their rock inclusion geometry. To this aim, a great number of 2D slope models were generated to enclose blocks with variable shapes, dimensions, arrangements, inclinations and contents. To obtain statistically based results, fifteen configurations were analysed for each block content and geometrical configuration considered. The results obtained indicate that block shapes and orientations significantly affect the stability of slopes in bimrocks only when the block contents are greater than 40%. Moreover, it is demonstrated that blocks inclined 0° to the horizontal provide the most tortuous and irregular failure surfaces and, consequently, the highest safety factors.

Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-Systems

2019 ◽  
Author(s):  
Tatiana Woller ◽  
Ambar Banerjee ◽  
Nitai Sylvetsky ◽  
Xavier Deraet ◽  
Frank De Proft ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Basis Set ◽  
Dft Methods ◽  
Molecular Switching ◽  
Wide Range ◽  
Electronic Structure Methods ◽  
Explicitly Correlated ◽  
Relative Errors ◽  
The Stability ◽  
Basis Set Expansion

<p>Expanded porphyrins provide a versatile route to molecular switching devices due to their ability to shift between several π-conjugation topologies encoding distinct properties. Taking into account its size and huge conformational flexibility, DFT remains the workhorse for modeling such extended macrocycles. Nevertheless, the stability of Hückel and Möbius conformers depends on a complex interplay of different factors, such as hydrogen bonding, p···p stacking, steric effects, ring strain and electron delocalization. As a consequence, the selection of an exchange-correlation functional for describing the energy profile of topological switches is very difficult. For these reasons, we have examined the performance of a variety of wavefunction methods and density functionals for describing the thermochemistry and kinetics of topology interconversions across a wide range of macrocycles. Especially for hexa- and heptaphyrins, the Möbius structures have a pronouncedly stronger degree of static correlation than the Hückel and figure-eight structures, and as a result the relative energies of singly-twisted structures are a challenging test for electronic structure methods. Comparison of limited orbital space full CI calculations with CCSD(T) calculations within the same active spaces shows that post-CCSD(T) correlation contributions to relative energies are very minor. At the same time, relative energies are weakly sensitive to further basis set expansion, as proven by the minor energy differences between MP2/cc-pVDZ and explicitly correlated MP2-F12/cc-pVDZ-F12 calculations. Hence, our CCSD(T) reference values are reasonably well-converged in both 1-particle and n-particle spaces. While conventional MP2 and MP3 yield very poor results, SCS-MP2 and particularly SOS-MP2 and SCS-MP3 agree to better than 1 kcal mol<sup>-1</sup> with the CCSD(T) relative energies. Regarding DFT methods, only M06-2X provides relative errors close to chemical accuracy with a RMSD of 1.2 kcal mol<sup>-1</sup>. While the original DSD-PBEP86 double hybrid performs fairly poorly for these extended p-systems, the errors drop down to 2 kcal mol<sup>-1</sup> for the revised revDSD-PBEP86-NL, again showing that same-spin MP2-like correlation has a detrimental impact on performance like the SOS-MP2 results. </p>

Insights into Potent Therapeutical Antileukemic Agent L-glutaminase Enzyme Under Solid-state Fermentation: A Review

2020 ◽  
Vol 21 (3) ◽  
pp. 211-220 ◽  
Author(s):  
Chandrasai Potla Durthi ◽  
Madhuri Pola ◽  
Satish Babu Rajulapati ◽  
Anand Kishore Kola
Keyword(s):  
Solid State ◽  
Solid State Fermentation ◽  
Food Industry ◽  
Energy Requirement ◽  
Production Studies ◽  
Wide Range ◽  
Hybridoma Technology ◽  
Bacteria And Fungi ◽  
The Stability ◽  
Glutaminase Activity

Aim & objective: To review the applications and production studies of reported antileukemic drug L-glutaminase under Solid-state Fermentation (SSF). Overview: An amidohydrolase that gained economic importance because of its wide range of applications in the pharmaceutical industry, as well as the food industry, is L-glutaminase. The medical applications utilized it as an anti-tumor agent as well as an antiretroviral agent. L-glutaminase is employed in the food industry as an acrylamide degradation agent, as a flavor enhancer and for the synthesis of theanine. Another application includes its use in hybridoma technology as a biosensing agent. Because of its diverse applications, scientists are now focusing on enhancing the production and optimization of L-glutaminase from various sources by both Solid-state Fermentation (SSF) and submerged fermentation studies. Of both types of fermentation processes, SSF has gained importance because of its minimal cost and energy requirement. L-glutaminase can be produced by SSF from both bacteria and fungi. Single-factor studies, as well as multi-level optimization studies, were employed to enhance L-glutaminase production. It was concluded that L-glutaminase activity achieved by SSF was 1690 U/g using wheat bran and Bengal gram husk by applying feed-forward artificial neural network and genetic algorithm. The highest L-glutaminase activity achieved under SSF was 3300 U/gds from Bacillus sp., by mixture design. Purification and kinetics studies were also reported to find the molecular weight as well as the stability of L-glutaminase. Conclusion: The current review is focused on the production of L-glutaminase by SSF from both bacteria and fungi. It was concluded from reported literature that optimization studies enhanced L-glutaminase production. Researchers have also confirmed antileukemic and anti-tumor properties of the purified L-glutaminase on various cell lines.

scholarly journals Comparison of Modified Mohr–Coulomb Model and Bai–Wierzbicki Model for Constructing 3D Ductile Fracture Envelope of AA6063

2021 ◽  
Vol 34 (1) ◽  
Author(s):  
Jianye Gao ◽  
Tao He ◽  
Yuanming Huo ◽  
Miao Song ◽  
Tingting Yao ◽  
...  
Keyword(s):  
Ductile Fracture ◽  
Fracture Criterion ◽  
Fracture Strain ◽  
Stress Triaxiality ◽  
Ductile Fracture Criterion ◽  
Forming Process ◽  
Tension Tests ◽  
Wide Range ◽  
Round Bar ◽  
Fracture Envelope

AbstractDuctile fracture of metal often occurs in the plastic forming process of parts. The establishment of ductile fracture criterion can effectively guide the selection of process parameters and avoid ductile fracture of parts during machining. The 3D ductile fracture envelope of AA6063-T6 was developed to predict and prevent its fracture. Smooth round bar tension tests were performed to characterize the flow stress, and a series of experiments were conducted to characterize the ductile fracture firstly, such as notched round bar tension tests, compression tests and torsion tests. These tests cover a wide range of stress triaxiality (ST) and Lode parameter (LP) to calibrate the ductile fracture criterion. Plasticity modeling was performed, and the predicted results were compared with corresponding experimental data to verify the plasticity model after these experiments. Then the relationship between ductile fracture strain and ST with LP was constructed using the modified Mohr–Coulomb (MMC) model and Bai-Wierzbicki (BW) model to develop the 3D ductile fracture envelope. Finally, two ductile damage models were proposed based on the 3D fracture envelope of AA6063. Through the comparison of the two models, it was found that BW model had better fitting effect, and the sum of squares of residual error of BW model was 0.9901. The two models had relatively large errors in predicting the fracture strain of SRB tensile test and torsion test, but both of the predicting error of both two models were within the acceptable range of 15%. In the process of finite element simulation, the evolution process of ductile fracture can be well simulated by the two models. However, BW model can predict the location of fracture more accurately than MMC model.

scholarly journals Polymer-Drug Conjugates as Nanotheranostic Agents

2021 ◽  
Vol 2 (1) ◽  
pp. 63-81
Author(s):  
Sajana Manandhar ◽  
Erica Sjöholm ◽  
Johan Bobacka ◽  
Jessica M. Rosenholm ◽  
Kuldeep K. Bansal
Keyword(s):  
Drug Delivery ◽  
Drug Release ◽  
Treatment Options ◽  
The Body ◽  
Drug Conjugates ◽  
Imaging Characteristics ◽  
Wide Range ◽  
Systemic Side Effects ◽  
Theranostic Agents ◽  
The Stability

Since the last decade, the polymer-drug conjugate (PDC) approach has emerged as one of the most promising drug-delivery technologies owing to several benefits like circumventing premature drug release, offering controlled and targeted drug delivery, improving the stability, safety, and kinetics of conjugated drugs, and so forth. In recent years, PDC technology has advanced with the objective to further enhance the treatment outcomes by integrating nanotechnology and multifunctional characteristics into these systems. One such development is the ability of PDCs to act as theranostic agents, permitting simultaneous diagnosis and treatment options. Theranostic nanocarriers offer the opportunity to track the distribution of PDCs within the body and help to localize the diseased site. This characteristic is of particular interest, especially among those therapeutic approaches where external stimuli are supposed to be applied for abrupt drug release at the target site for localized delivery to avoid systemic side effects (e.g., Visudyne®). Thus, with the help of this review article, we are presenting the most recent updates in the domain of PDCs as nanotheranostic agents. Different methodologies utilized to design PDCs along with imaging characteristics and their applicability in a wide range of diseases, have been summarized in this article.

Nickel-Catalyzed Electronically-Reversed Enantioselective Hydrocarbofunctionalizations of Acrylamides

Synlett ◽  
2021 ◽  
Author(s):  
Lou Shi ◽  
Wei Shu
Keyword(s):  
Nickel Catalyst ◽  
Functional Group ◽  
Optically Active ◽  
Forming Process ◽  
Carbon Bond ◽  
Bond Forming ◽  
Synthetic Strategy ◽  
Carbon Carbon Bond ◽  
Wide Range ◽  
Simple Protocol

Asymmetric hydrocarbofunctionalizations of alkenes has emerged as an efficient synthetic strategy for accessing optically active molecules via carbon-carbon bond-forming process from readily available alkenes and carbo-electrophiles. Herein, we present a summary of the efforts from our group to control the regio- and enantioselectivity of hydrocarbofunctionalizations of electron-deficient alkenes with a nickel catalyst and chiral bisoxazolidine ligand. The reaction undergoes electron-reversed hydrocarbofunctionalizations acrylamides with excellent enantioselectivity. This operationally simple protocol enables the asymmetric hydroalkylation, hydrobenzylation and hydropropargylation of acrylamides. This reaction is useful for preparing a wide range of α-branched chiral amides with broad functional group tolerance.

scholarly journals No-z Model for Magnetic Fields of Different Astrophysical Objects and Stability of the Solutions

Data ◽  
2021 ◽  
Vol 6 (1) ◽  
pp. 4
Author(s):  
Evgeny Mikhailov ◽  
Daniela Boneva ◽  
Maria Pashentseva
Keyword(s):  
Magnetic Field ◽  
Magnetic Fields ◽  
Large Scale ◽  
Point Of View ◽  
Accretion Discs ◽  
Wide Range ◽  
Astrophysical Objects ◽  
Alpha Effect ◽  
The Stability ◽  
The Magnetic Field

A wide range of astrophysical objects, such as the Sun, galaxies, stars, planets, accretion discs etc., have large-scale magnetic fields. Their generation is often based on the dynamo mechanism, which is connected with joint action of the alpha-effect and differential rotation. They compete with the turbulent diffusion. If the dynamo is intensive enough, the magnetic field grows, else it decays. The magnetic field evolution is described by Steenbeck—Krause—Raedler equations, which are quite difficult to be solved. So, for different objects, specific two-dimensional models are used. As for thin discs (this shape corresponds to galaxies and accretion discs), usually, no-z approximation is used. Some of the partial derivatives are changed by the algebraic expressions, and the solenoidality condition is taken into account as well. The field generation is restricted by the equipartition value and saturates if the field becomes comparable with it. From the point of view of mathematical physics, they can be characterized as stable points of the equations. The field can come to these values monotonously or have oscillations. It depends on the type of the stability of these points, whether it is a node or focus. Here, we study the stability of such points and give examples for astrophysical applications.

scholarly journals Influence of Alumina Nanofibers Sintered by the Spark Plasma Method on Nickel Mechanical Properties

Metals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 548 ◽  
Author(s):  
Leonid Agureev ◽  
Valeriy Kostikov ◽  
Zhanna Eremeeva ◽  
Svetlana Savushkina ◽  
Boris Ivanov ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Tensile Strength ◽  
Elastic Modulus ◽  
Strength Properties ◽  
Alumina Nanoparticles ◽  
Metal Powders ◽  
Wide Range ◽  
The Matrix ◽  
Spark Plasma ◽  
Average Size

The article presents the study of alumina nanoparticles’ (nanofibers) concentration effect on the strength properties of pure nickel. The samples were obtained by spark plasma sintering of previously mechanically activated metal powders. The dependence of the grain size and the relative density of compacts on the number of nanofibers was investigated. It was found that with an increase in the concentration of nanofibers, the average size of the matrix particles decreased. The effects of the nanoparticle concentration (0.01–0.1 wt.%) on the elastic modulus and tensile strength were determined for materials at 25 °C, 400 °C, and 750 °C. It was shown that with an increase in the concentration of nanofibers, a 10–40% increase in the elastic modulus and ultimate tensile strength occurred. A comparison of the mechanical properties of nickel in a wide range of temperatures, obtained in this work with materials made by various technologies, is carried out. A description of nanofibers’ mechanisms of influence on the structure and mechanical properties of nickel is given. The possible impact of impurity phases on the properties of nickel is estimated. The tendency of changes in the mechanical properties of nickel, depending on the concentration of nanofibers, is shown.

scholarly journals Estimating the number of usability problems affecting medical devices: modelling the discovery matrix

2020 ◽  
Vol 20 (1) ◽  
Author(s):  
Vincent Vandewalle ◽  
Alexandre Caron ◽  
Coralie Delettrez ◽  
Renaud Périchon ◽  
Sylvia Pelayo ◽  
...  
Keyword(s):  
Medical Devices ◽  
Market Access ◽  
Real Life ◽  
Usability Testing ◽  
Probability Of Detection ◽  
Usability Problems ◽  
Usability Problem ◽  
Wide Range ◽  
The Matrix ◽  
Problem Detection

Abstract Background Usability testing of medical devices are mandatory for market access. The testings’ goal is to identify usability problems that could cause harm to the user or limit the device’s effectiveness. In practice, human factor engineers study participants under actual conditions of use and list the problems encountered. This results in a binary discovery matrix in which each row corresponds to a participant, and each column corresponds to a usability problem. One of the main challenges in usability testing is estimating the total number of problems, in order to assess the completeness of the discovery process. Today’s margin-based methods fit the column sums to a binomial model of problem detection. However, the discovery matrix actually observed is truncated because of undiscovered problems, which corresponds to fitting the marginal sums without the zeros. Margin-based methods fail to overcome the bias related to truncation of the matrix. The objective of the present study was to develop and test a matrix-based method for estimating the total number of usability problems. Methods The matrix-based model was based on the full discovery matrix (including unobserved columns) and not solely on a summary of the data (e.g. the margins). This model also circumvents a drawback of margin-based methods by simultaneously estimating the model’s parameters and the total number of problems. Furthermore, the matrix-based method takes account of a heterogeneous probability of detection, which reflects a real-life setting. As suggested in the usability literature, we assumed that the probability of detection had a logit-normal distribution. Results We assessed the matrix-based method’s performance in a range of settings reflecting real-life usability testing and with heterogeneous probabilities of problem detection. In our simulations, the matrix-based method improved the estimation of the number of problems (in terms of bias, consistency, and coverage probability) in a wide range of settings. We also applied our method to five real datasets from usability testing. Conclusions Estimation models (and particularly matrix-based models) are of value in estimating and monitoring the detection process during usability testing. Matrix-based models have a solid mathematical grounding and, with a view to facilitating the decision-making process for both regulators and device manufacturers, should be incorporated into current standards.

Ni Content Surface Layer Produced by Laser Surface Treatment on Amorphisable Cu Base Alloy

2010 ◽  
Vol 649 ◽  
pp. 101-106
Author(s):  
Mária Svéda ◽  
Dóra Janovszky ◽  
Kinga Tomolya ◽  
Jenő Sólyom ◽  
Zoltán Kálazi ◽  
...  
Keyword(s):  
Surface Layer ◽  
Surface Treatment ◽  
Laser Cladding ◽  
Base Alloy ◽  
Laser Surface ◽  
Laser Alloying ◽  
Laser Surface Treatment ◽  
Ni Content ◽  
Wide Range ◽  
The Matrix

The aim of our research was to comparatively examine Ni content surface layers on amorphisable Cu base alloy produced by different laser surface treatments. Laser surface treatment (LST) techniques, such as laser surface melting, laser alloying and laser cladding, provide a wide range of interesting solutions for the production of wear and corrosion resistant surfaces. [1,2] With LST techniques, the surface can be: i) coated with a layer of another material by laser cladding, ii) the composition of the matrix can be modified by laser alloying. [3] Two kinds of laser surface treatment technologies were used. In the case of coating-melting technology a Ni content surface layer was first developed by galvanization, and then the Ni content layer was melted together with the matrix. In the case of powder blowing technology Ni3Al powder was blown into the layer melted by laser beam and Argon gas. LST was performed using an impulse mode Nd:YAG laser. The laser power and the interaction time were 2 kW and 20÷60 ms. The characterization of the surface layer microstructure was performed by XRD, scanning electron microscopy and microhardness measurements.

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