scholarly journals Design of defect-chemical properties and device performance in memristive systems

2020 ◽  
Vol 6 (19) ◽  
pp. eaaz9079 ◽  
Author(s):  
M. Lübben ◽  
F. Cüppers ◽  
J. Mohr ◽  
M. von Witzleben ◽  
U. Breuer ◽  
...  
Keyword(s):  
Rational Design ◽  
Chemical Properties ◽  
Design Strategy ◽  
Atomic Level ◽  
Device Performance ◽  
Charge Potential ◽  
Dopant Impurity ◽  
Memristive Systems ◽  
Power Operation ◽  
Cell Capacitance

Future development of the modern nanoelectronics and its flagships internet of things, artificial intelligence, and neuromorphic computing is largely associated with memristive elements, offering a spectrum of inevitable functionalities, atomic level scalability, and low-power operation. However, their development is limited by significant variability and still phenomenologically orientated materials’ design strategy. Here, we highlight the vital importance of materials’ purity, demonstrating that even parts-per-million foreign elements substantially change performance. Appropriate choice of chemistry and amount of doping element selectively enhances the desired functionality. Dopant/impurity-dependent structure and charge/potential distribution in the space-charge layers and cell capacitance determine the device kinetics and functions. The relation between chemical composition/purity and switching/neuromorphic performance is experimentally evidenced, providing directions for a rational design of future memristive devices.

scholarly journals Engineering the biomimetic cofactors of NMNH for cytochrome P450 BM3 based on binding conformation refinement

RSC Advances ◽  
2021 ◽  
Vol 11 (20) ◽  
pp. 12036-12042
Author(s):  
Yao Liu ◽  
Yalong Cong ◽  
Chuanxi Zhang ◽  
Bohuan Fang ◽  
Yue Pan ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Rational Design ◽  
Design Strategy ◽  
Efficient Utilization ◽  
P450 Bm3 ◽  
Binding Conformation ◽  
Cytochrome P450 Bm3

A rational design strategy was proposed to improve the efficient utilization of alternative biomimetic cofactor by P450 BM3 enzyme.

Rational design and crystal structure prediction of ring-fused double-PDI compounds as n-channel organic semiconductors: a DFT study

2021 ◽  
Author(s):  
Suryakanti Debata ◽  
Smruti R. Sahoo ◽  
Rudranarayan Khatua ◽  
Sridhar Sahu
Keyword(s):  
Crystal Structure ◽  
Charge Transport ◽  
Organic Semiconductors ◽  
Structure Prediction ◽  
Rational Design ◽  
Molecular Design ◽  
Design Strategy ◽  
Dft Study ◽  
Crystal Structure Prediction ◽  
Model Compounds

In this study, we present an effective molecular design strategy to develop the n-type charge transport characteristics in organic semiconductors, using ring-fused double perylene diimides (DPDIs) as the model compounds.

scholarly journals Density-Based Descriptors of Redox Reactions Involving Transition Metal Compounds as a Reality-Anchored Framework: A Perspective

Molecules ◽  
2021 ◽  
Vol 26 (18) ◽  
pp. 5541
Author(s):  
Daniel Koch ◽  
Mohamed Chaker ◽  
Manabu Ihara ◽  
Sergei Manzhos
Keyword(s):  
Transition Metal ◽  
Metal Ion ◽  
Redox Reactions ◽  
Rational Design ◽  
Chemical Properties ◽  
Transition Metal Ions ◽  
Blind Spot ◽  
Transition Metal Compounds ◽  
Metal Compounds ◽  
Active Transition

Description of redox reactions is critically important for understanding and rational design of materials for electrochemical technologies, including metal-ion batteries, catalytic surfaces, or redox-flow cells. Most of these technologies utilize redox-active transition metal compounds due to their rich chemistry and their beneficial physical and chemical properties for these types of applications. A century since its introduction, the concept of formal oxidation states (FOS) is still widely used for rationalization of the mechanisms of redox reactions, but there exists a well-documented discrepancy between FOS and the electron density-derived charge states of transition metal ions in their bulk and molecular compounds. We summarize our findings and those of others which suggest that density-driven descriptors are, in certain cases, better suited to characterize the mechanism of redox reactions, especially when anion redox is involved, which is the blind spot of the FOS ansatz.

In vitro Degradation Analysis of 3D-architectured Gelatin-based Hydrogels

MRS Advances ◽  
2019 ◽  
Vol 5 (12-13) ◽  
pp. 633-642
Author(s):  
Jun Hon Pang ◽  
Christian Wischke ◽  
Andreas Lendlein
Keyword(s):  
Rational Design ◽  
Loss Modulus ◽  
Hydrolytic Stability ◽  
Hydrolytic Degradation ◽  
Chemical Properties ◽  
In Vitro Models ◽  
Polypeptide Backbone ◽  
Tan Δ ◽  
Physical And Chemical

ABSTRACT:Multifunctional biopolymer-based materials are promising candidates for next generation regenerative biomaterials. Understanding the degradation behavior of biomaterials is vital for ensuring biological safety, as well as for better control of degradation properties based on rational design of a material’s physical and chemical characteristics. In this study, we decipher the degradation of a hydrogel prepared from gelatin and lysine diisocyanate ethyl ester (LDI) using in vitro models, which simulate hydrolytic, oxidative and enzymatic degradation (collagenase). Gravimetrical, morphological, mechanical and chemical properties were evaluated. Notably, the hydrogels were relatively resistant to hydrolytic degradation, but degraded rapidly within 21 days (>95% mass loss) under oxidative and collagenase degradation. Oxidative and collagenase degradation rapidly decreased the storage and loss modulus of the hydrogels, and slightly increased their viscous component (tan δ). For each degradation condition, the results suggest different possible degradation pathways associated to the gelatin polypeptide backbone, urea linkages and ester groups. The primary degradation mechanisms for the investigated gelatin based hydrogels are oxidative and enzymatic in nature. The relative hydrolytic stability of the hydrogels should ensure minimal degradation during storage and handling prior to application in surgical theatres.

Perovskite Solar Cells: From the Atomic Level to Film Quality and Device Performance

2018 ◽  
Vol 57 (10) ◽  
pp. 2554-2569 ◽  
Author(s):  
Michael Saliba ◽  
Juan-Pablo Correa-Baena ◽  
Michael Grätzel ◽  
Anders Hagfeldt ◽  
Antonio Abate
Keyword(s):  
Solar Cells ◽  
Perovskite Solar Cells ◽  
Atomic Level ◽  
Device Performance

A rational design strategy for protein hormone superagonists

1998 ◽  
Vol 16 (9) ◽  
pp. 871-875 ◽  
Author(s):  
Mathis Grossmann ◽  
Holger Leitolf ◽  
Bruce D. Weintraub ◽  
Mariusz W. Szkudlinski
Keyword(s):  
Rational Design ◽  
Design Strategy

A multi-factors rational design strategy for enhancing the thermostability of Escherichia coli AppA phytase

2013 ◽  
Vol 40 (5) ◽  
pp. 457-464 ◽  
Author(s):  
Baojin Fei ◽  
Hui Xu ◽  
Yu Cao ◽  
Shuhan Ma ◽  
Hongxiu Guo ◽  
...  
Keyword(s):  
Escherichia Coli ◽  
Rational Design ◽  
Design Strategy

scholarly journals Use of Organosilicon Compounds towards the Rational Design of Antiparasitic and Antiviral Drugs

1995 ◽  
Vol 2 (3) ◽  
pp. 143-151 ◽  
Author(s):  
Gérard Déléris
Keyword(s):  
Reverse Transcriptase ◽  
Antisense Oligonucleotides ◽  
Rational Design ◽  
Chemical Properties ◽  
Therapeutic Agents ◽  
Main Group ◽  
Biologically Active ◽  
Hiv Reverse Transcriptase ◽  
Antiparasitic Drugs ◽  
High Level

One of the major problems met for the conception of antiviral or antiparasitic drugs is to reach a high level of selectivity towards the pathogenic agent versus the host. We shall describe two synthetic approaches where main group organometallics have been used towards this goal. A series of nucleoside sila-analogues was synthesized as potential therapeutic agents designed to inhibit HIV Reverse Transcriptase. In a second approach novel organosilicon derivatives have been synthesized as mimics of antisense oligonucleotides.Infectious agents, namely viruses or parasites, more or less use cellular machinery. Therefore therapeutic agents must interfere with biochemical mechanisms or possess high affinity towards specific molecular cellular components, to reach selectivity.We thought that main group organometallics could show many advantages for designing biologically active molecules in this field. They allow a high synthetic flexibility for the modulations of physico-chemical properties and they show a mechanistic behaviour which may be close to the one of several heteroelements present in living organisms such as sulfur or phosphorus.We tried to use this approach towards two directions involving the synthesis of organosilicon derivatives i.e:-the synthesis of organosilicon derivatives as inhibitors of HIV Reverse Transcriptase,-the synthesis of organosilicon precursors of modified antisense oligonucleotides.

The Study and Design of 20kW Photovoltaic Power System

2013 ◽  
Vol 860-863 ◽  
pp. 151-155
Author(s):  
Yun Bo Zhang ◽  
Wen Zheng ◽  
Hong Zhang
Keyword(s):  
Power System ◽  
Design Strategy ◽  
Photovoltaic Modules ◽  
Photovoltaic Power ◽  
Full Power ◽  
Power Operation ◽  
Grid Connected Inverter ◽  
Parameters Calculation

This paper firstly analysis the principle of three-phased photovoltaic grid-connected power system. Secondly, the 20KW photovoltaic power system will be given as an example to introduce the design strategy of photovoltaic modules. Also, the photovoltaic grid-connected inverter is designed, which includes its parameters calculation and components selection. Finally, the whole photovoltaic power system is designed and verified via the experiment. The result of the experiment shows the design is reasonable and reliable. The power system can achieve full power operation and satisfy its expected goal.

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