Rational design of mixed nanomicelle eye drops with structural integrity investigation

2022 ◽  
Author(s):  
Liping Sun ◽  
Meng Zhang ◽  
Yu Shi ◽  
Lei Fang ◽  
Feng Cao
Keyword(s):  
Rational Design ◽  
Structural Integrity ◽  
Eye Drops

scholarly journals Computational-Driven Epitope Verification and Affinity Maturation of TLR4-Targeting Antibodies

2021 ◽  
Vol 22 (11) ◽  
pp. 5989
Author(s):  
Bilal Ahmad ◽  
Maria Batool ◽  
Moon Suk Kim ◽  
Sangdun Choi
Keyword(s):  
Rational Design ◽  
Structural Integrity ◽  
Critical Role ◽  
Autoimmune Encephalitis ◽  
Affinity Maturation ◽  
Antibody Binding ◽  
Computational Techniques ◽  
Multiple Strategies ◽  
Binding Epitope

Toll-like receptor (TLR) signaling plays a critical role in the induction and progression of autoimmune diseases such as rheumatoid arthritis, systemic lupus erythematous, experimental autoimmune encephalitis, type 1 diabetes mellitus and neurodegenerative diseases. Deciphering antigen recognition by antibodies provides insights and defines the mechanism of action into the progression of immune responses. Multiple strategies, including phage display and hybridoma technologies, have been used to enhance the affinity of antibodies for their respective epitopes. Here, we investigate the TLR4 antibody-binding epitope by computational-driven approach. We demonstrate that three important residues, i.e., Y328, N329, and K349 of TLR4 antibody binding epitope identified upon in silico mutagenesis, affect not only the interaction and binding affinity of antibody but also influence the structural integrity of TLR4. Furthermore, we predict a novel epitope at the TLR4-MD2 interface which can be targeted and explored for therapeutic antibodies and small molecules. This technique provides an in-depth insight into antibody–antigen interactions at the resolution and will be beneficial for the development of new monoclonal antibodies. Computational techniques, if coupled with experimental methods, will shorten the duration of rational design and development of antibody therapeutics.

Collagen Network Architecture Varies Between Pure Collagen and Collagen-Fibrin Co-Gels

2012 ◽  
Author(s):  
Victor K. Lai ◽  
Allan M. Kerandi ◽  
Spencer P. Lake ◽  
Robert T. Tranquillo ◽  
Victor H. Barocas
Keyword(s):  
Mechanical Behavior ◽  
Network Architecture ◽  
Rational Design ◽  
Structural Integrity ◽  
Collagen Network ◽  
Fibrin Gel ◽  
Ecm Proteins ◽  
Fibrin Networks ◽  
Pure Collagen ◽  
Function Relationship

Naturally-occurring extracellular matrix (ECM) proteins, e.g. collagen I and fibrin, play an important role in tissues, conferring structural integrity and providing a biochemical environment for eliciting important cellular responses (e.g. migration). Tissue engineers use a variety of matrix polymers as initial scaffolds for seeding cells, sometimes in combination with one another (e.g. collagen-fibrin [1]). For example, our group fabricates arterial tissue equivalents (TEs) by seeding cells in a fibrin gel, which is gradually degraded over time and replaced by cell-produced collagen [2]. While the structure and mechanics of individual ECM proteins have been studied extensively, how multiple fibrillar networks interact to confer overall mechanical behavior remains poorly understood. Narrowing this gap in knowledge of scaffolds comprising multiple fibril networks is crucial in allowing for more rational design in tissue engineering, as cells react differently according to their mechanical environments. For collagen-fibrin networks in particular, early efforts in elucidating interactions between these two fibril networks in co-gels have proven inconclusive due to inconsistent findings from various groups. Recent modeling efforts by our group have shown that simple “series” and “parallel” type interactions provide bounds for the mechanical behavior of collagen-fibrin co-gels [3]. In addition, experiments on pure collagen and fibrin vs. their respective networks from collagen-fibrin co-gels after digestion showed slight differences in mechanical behavior [4]. These previous studies have focused on the composition-function relationship between collagen and fibrin. The objective of the current work is to explore how collagen network architecture changes in the presence of the fibrin network in collagen-fibrin co-gels, thereby providing an added dimension to our understanding of collagen-fibrin systems by elucidating structure-composition-function relationships between collagen and fibrin.

scholarly journals STRUCTURAL DESIGN PROCEDURES FOR CONCRETE ARMOUR UNITS

1984 ◽  
Vol 1 (19) ◽  
pp. 172 ◽  
Author(s):  
Kevin R. Hall ◽  
W.F. Baird ◽  
D.J. Turcke
Keyword(s):  
Structural Design ◽  
Rational Design ◽  
Structural Integrity ◽  
Design Procedure ◽  
Analytical Techniques ◽  
Structural Performance ◽  
Design Procedures ◽  
Design Loads ◽  
Resultant Stress ◽  
Hydraulic Stability

A rational design procedure for rubblemound breakwater protection which will ensure both the structural integrity and hydraulic stability of individual concrete armour units and the overall armour system is presented. The procedure involves new experimental techniques for measuring strains in model concrete armour units in a hydraulic model of a breakwater subjected to simulated prototype wave attack and analytical techniques for determining equivalent prototype loads on units. Selected design loads are used to define the resultant stress distribution to allow the designer to take the necessary measures to ensure the structural performance of the unit in a breakwater environment•

scholarly journals Metal-Free Heptazine-Based Porous Polymeric Network as Highly Efficient Catalyst for CO2 Capture and Conversion

2021 ◽  
Vol 9 ◽  
Author(s):  
Neha Sharma ◽  
Bharat Ugale ◽  
Sunil Kumar ◽  
Kamalakannan Kailasam
Keyword(s):  
Rational Design ◽  
Structural Integrity ◽  
Cycloaddition Reaction ◽  
Value Added ◽  
Cyclic Carbonate ◽  
Energy Crisis ◽  
Water Stability ◽  
High Chemical ◽  
Efficient Catalyst ◽  
Microporous Polymer

The capture and catalytic conversion of CO2 into value-added chemicals is a promising and sustainable approach to tackle the global warming and energy crisis. The nitrogen-rich porous organic polymers are excellent materials for CO2 capture and separation. Herein, we present a nitrogen-rich heptazine-based microporous polymer for the cycloaddition reaction of CO2 with epoxides in the absence of metals and solvents. HMP-TAPA, being rich in the nitrogen site, showed a high CO2 uptake of 106.7 mg/g with an IAST selectivity of 30.79 toward CO2 over N2. Furthermore, HMP-TAPA showed high chemical and water stability without loss of any structural integrity. Besides CO2 sorption, the catalytic activity of HMP-TAPA was checked for the cycloaddition of CO2 and terminal epoxides, resulting in cyclic carbonate with high conversion (98%). They showed remarkable recyclability up to 5 cycles without loss of activity. Overall, this study represents a rare demonstration of the rational design of POPs (HMP-TAPA) for multiple applications.

Rational design of 3D N-doped carbon nanosheet framework encapsulated ultrafine ZnO nanocrystals as superior performance anode materials in lithium ion batteries

2019 ◽  
Vol 7 (43) ◽  
pp. 25155-25164 ◽  
Author(s):  
Jianding Li ◽  
Huajun Zhao ◽  
Meimei Wang ◽  
Yongyang Zhu ◽  
Bo Li ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Materials ◽  
Rational Design ◽  
Structural Integrity ◽  
Lithium Ion ◽  
Superior Performance ◽  
Electrochemical Performances ◽  
Half Cell ◽  
Full Cell ◽  
Zno Nanocrystals

A ZnO encapsulated in a 3D NCNF composite exhibits excellent electrochemical performances both in a half cell and full cell. The improved performances are mainly explained based on the two aspects of structural integrity and kinetics enhancement.

scholarly journals Enhanced Catalysis through Structurally Modified Hybrid 2-D Boron Nitride Nanosheets Comprising of Complexed 2-hydroxy-4- methoxybenzophenone Motif

2021 ◽  
Author(s):  
Pooja Rana ◽  
Ranjana Dixit ◽  
Shivani Sharma ◽  
Sriparna Dutta ◽  
Sneha Yadav ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Rational Design ◽  
Surface Engineering ◽  
Structural Integrity ◽  
Hexagonal Boron Nitride ◽  
Cycloaddition Reaction ◽  
Rational Surface ◽  
Organic Transformations ◽  
Hybrid Nanomaterial ◽  
Catalytic Potential

Abstract Tuning the scturtrual architecture of the pristine two dimensional hexagonal boron nitride (h-BN) nanosheets through rational surface engineering can prove advantageous in the fabrication of competent catalytic materials. Inspired by the performance of h-BN based nanomaterials in expediting key organic transformations, we channelized our research efforts towards engineering the inherent surface properties of the exclusively stacked h-BN through the incorporation of a novel competent copper complex of a bidentate chelating ligand 2-hydroxy-4-methoxybenzophenone. Delightfully, this hybrid nanomaterial worked exceptionally well in boosting the [3+2] cycloaddition reaction of azide and nitriles, providing a facile access to a diverse variety of highly bioactive tetrazole motifs. A deep insight into the morphology of the covalently crafted h-BN signified the structural integrity of the exfoliated h-BN@OH nanosheets that exhibited lamellar like structures possessing smooth edges and flat surface. This interesting morphology could also be envisioned to augment the catalysis by allowing the desired surface area for the reactants and thus tailoring their activity. The work paves the way towards rational design of h-BN based nanomaterials and adjusting their catalytic potential by the use of suitable complexes for promoting sustainable catalysis, especially in view of the fact that till date only a very few h-BN nanosheets based catalysts have been devised.

scholarly journals Plant Cell Walls Tackling Climate Change: Biotechnological Strategies to Improve Crop Adaptations and Photosynthesis in Response to Global Warming

Plants ◽  
2020 ◽  
Vol 9 (2) ◽  
pp. 212 ◽  
Author(s):  
Ignacio Ezquer ◽  
Ilige Salameh ◽  
Lucia Colombo ◽  
Panagiotis Kalaitzis
Keyword(s):  
Climate Change ◽  
Cell Wall ◽  
High Temperatures ◽  
Plant Cell ◽  
Rational Design ◽  
Plant Cell Wall ◽  
Structural Integrity ◽  
Environmental Changes ◽  
Current Knowledge ◽  
Extreme Weather Events

Plant cell wall (CW) is a complex and intricate structure that performs several functions throughout the plant life cycle. The CW of plants is critical to the maintenance of cells’ structural integrity by resisting internal hydrostatic pressures, providing flexibility to support cell division and expansion during tissue differentiation, and acting as an environmental barrier that protects the cells in response to abiotic stress. Plant CW, comprised primarily of polysaccharides, represents the largest sink for photosynthetically fixed carbon, both in plants and in the biosphere. The CW structure is highly varied, not only between plant species but also among different organs, tissues, and cell types in the same organism. During the developmental processes, the main CW components, i.e., cellulose, pectins, hemicelluloses, and different types of CW-glycoproteins, interact constantly with each other and with the environment to maintain cell homeostasis. Differentiation processes are altered by positional effect and are also tightly linked to environmental changes, affecting CW both at the molecular and biochemical levels. The negative effect of climate change on the environment is multifaceted, from high temperatures, altered concentrations of greenhouse gases such as increasing CO2 in the atmosphere, soil salinity, and drought, to increasing frequency of extreme weather events taking place concomitantly, therefore, climate change affects crop productivity in multiple ways. Rising CO2 concentration in the atmosphere is expected to increase photosynthetic rates, especially at high temperatures and under water-limited conditions. This review aims to synthesize current knowledge regarding the effects of climate change on CW biogenesis and modification. We discuss specific cases in crops of interest carrying cell wall modifications that enhance tolerance to climate change-related stresses; from cereals such as rice, wheat, barley, or maize to dicots of interest such as brassica oilseed, cotton, soybean, tomato, or potato. This information could be used for the rational design of genetic engineering traits that aim to increase the stress tolerance in key crops. Future growing conditions expose plants to variable and extreme climate change factors, which negatively impact global agriculture, and therefore further research in this area is critical.

scholarly journals Enhanced catalysis through structurally modified hybrid 2-D boron nitride nanosheets comprising of complexed 2-hydroxy-4-methoxybenzophenone motif

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Pooja Rana ◽  
Ranjana Dixit ◽  
Shivani Sharma ◽  
Sriparna Dutta ◽  
Sneha Yadav ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Rational Design ◽  
Surface Engineering ◽  
Structural Integrity ◽  
Hexagonal Boron Nitride ◽  
Cycloaddition Reaction ◽  
Rational Surface ◽  
Hybrid Nanomaterial ◽  
Catalytic Potential ◽  
Structural Architecture

AbstractTuning the structural architecture of the pristine two dimensional hexagonal boron nitride (h-BN) nanosheets through rational surface engineering have proven advantageous in the fabrication of competent catalytic materials. Inspired by the performance of h-BN based nanomaterials in expediting key organic transformations, we channelized our research efforts towards engineering the inherent surface properties of the exclusively stacked h-BN nanosheets through the incorporation of a novel competent copper complex of a bidentate chelating ligand 2-hydroxy-4-methoxybenzophenone (BP). Delightfully, this hybrid nanomaterial worked exceptionally well in boosting the [3 + 2] cycloaddition reaction of azide and nitriles, providing a facile access to a diverse variety of highly bioactive tetrazole motifs. A deep insight into the morphology of the covalently crafted h-BN signified the structural integrity of the exfoliated h-BN@OH nanosheets that exhibited lamellar like structures possessing smooth edges and flat surface. This interesting morphology could also be envisioned to augment the catalysis by allowing the desired surface area for the reactants and thus tailoring their activity. The work paves the way towards rational design of h-BN based nanomaterials and adjusting their catalytic potential by the use of suitable complexes for promoting sustainable catalysis, especially in view of the fact that till date only a very few h-BN nanosheets based catalysts have been devised.

scholarly journals Ultrafine MoS2 Nanosheets Vertically Patterned on Graphene for High-Efficient Li-Ion and Na-Ion Storage

2021 ◽  
Vol 9 ◽  
Author(s):  
Chunguang Wei ◽  
Zhidong Hou ◽  
Huanhuan Sun ◽  
Jian-Gan Wang
Keyword(s):  
Metal Ion ◽  
Rational Design ◽  
Structural Integrity ◽  
Electrode Materials ◽  
High Capacity ◽  
Metal Sulfide ◽  
Graphene Oxides ◽  
High Efficient ◽  
Strong Interfacial Interaction ◽  
Ion Storage

Hierarchically two-dimensional (2D) heteroarchitecture with ultrafine MoS2 nanosheets vertically patterned on graphene is developed by using a facile solvothermal method. It is revealed that the strong interfacial interaction between acidic Mo precursors and graphene oxides allows for uniform and tight alignment of edge-oriented MoS2 nanosheets on planar graphene. The unique sheet-on-sheet architecture is of grand advantage in synergistically utilizing the highly conductive graphene and the electroactive MoS2, thus rendering boosted reaction kinetics and robust structural integrity for energy storage. Consequently, the heterostructured MoS2@graphene exhibits impressive Li/Na-ion storage properties, including high-capacity delivery and superior rate/cycling capability. The present study will provide a positive impetus on rational design of 2D metal sulfide/graphene composites as advanced electrode materials for high-efficient alkali–metal ion storage.

Electron Beam Damage of Biomolecules Assessed by Energy Loss Spectroscopy

1978 ◽  
Vol 36 (3) ◽  
pp. 61-69
Author(s):  
M. Isaacson ◽  
M.L. Collins ◽  
M. Listvan
Keyword(s):  
Electron Microscopy ◽  
Radiation Damage ◽  
Structural Integrity ◽  
Analytical Electron Microscopy ◽  
High Dose ◽  
Dose Rates ◽  
Special Cases ◽  
Analytical Electron ◽  
Atom Migration ◽  
Beam Damage

Over the past five years it has become evident that radiation damage provides the fundamental limit to the study of blomolecular structure by electron microscopy. In some special cases structural determinations at very low doses can be achieved through superposition techniques to study periodic (Unwin & Henderson, 1975) and nonperiodic (Saxton & Frank, 1977) specimens. In addition, protection methods such as glucose embedding (Unwin & Henderson, 1975) and maintenance of specimen hydration at low temperatures (Taylor & Glaeser, 1976) have also shown promise. Despite these successes, the basic nature of radiation damage in the electron microscope is far from clear. In general we cannot predict exactly how different structures will behave during electron Irradiation at high dose rates. Moreover, with the rapid rise of analytical electron microscopy over the last few years, nvicroscopists are becoming concerned with questions of compositional as well as structural integrity. It is important to measure changes in elemental composition arising from atom migration in or loss from the specimen as a result of electron bombardment.

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