scholarly journals A Review: Depolymerization of Lignin to Generate High-Value Bio-Products: Opportunities, Challenges, and Prospects

2022 ◽  
Vol 9 ◽  
Author(s):  
Ningning Zhou ◽  
W. P. D. Wass Thilakarathna ◽  
Quan Sophia He ◽  
H. P. Vasantha Rupasinghe
Keyword(s):  
Small Molecules ◽  
Large Scale ◽  
Industrial Applications ◽  
Biochemical Properties ◽  
Full Potential ◽  
Natural Health Product ◽  
Natural Health ◽  
Promising Candidate ◽  
Potential Applications ◽  
Lignin Depolymerization

Lignin is identified as a promising candidate in renewable energy and bioproduct manufacturing due to its high abundance, polymeric structure, and biochemical properties of monomers. Thus, emerging opportunities exist in generating high-value small molecules from lignin through depolymerization. This review aims at providing an overview of the major technologies of lignin depolymerization. The feasibility of large-scale implementation of these technologies, including thermal, biological, and chemical depolymerizations, are discussed in relation to potential industrial applications. Lignin as a renewable alternative to petroleum-based chemicals has been well documented. This review attempts to emphasize potential applications of lignin-derived monomers and their derivatives as bioactives in food, natural health product, and pharmaceutical sectors. The critical review of the prospects and challenges of lignin-derived bioproducts reveals that the advancement of research and development is required to explore the applications of depolymerization of lignins to their full potential.

scholarly journals Polymer Brush Coating and Adhesion Technology at Scale

Polymers ◽  
2020 ◽  
Vol 12 (7) ◽  
pp. 1475 ◽  
Author(s):  
Kristian Birk Buhl ◽  
Asger Holm Agergaard ◽  
Mie Lillethorup ◽  
Jakob Pagh Nikolajsen ◽  
Steen Uttrup Pedersen ◽  
...  
Keyword(s):  
Polymer Brushes ◽  
High Performance ◽  
Large Scale ◽  
Polymer Brush ◽  
Dissimilar Materials ◽  
Industrial Applications ◽  
Polymer Materials ◽  
Full Potential ◽  
Scale Production ◽  
Precise Control

Creating strong joints between dissimilar materials for high-performance hybrid products places high demands on modern adhesives. Traditionally, adhesion relies on the compatibility between surfaces, often requiring the use of primers and thick bonding layers to achieve stable joints. The coatings of polymer brushes enable the compatibilization of material surfaces through precise control over surface chemistry, facilitating strong adhesion through a nanometer-thin layer. Here, we give a detailed account of our research on adhesion promoted by polymer brushes along with examples from industrial applications. We discuss two fundamentally different adhesive mechanisms of polymer brushes, namely (1) physical bonding via entanglement and (2) chemical bonding. The former mechanism is demonstrated by e.g., the strong bonding between poly(methyl methacrylate) (PMMA) brush coated stainless steel and bulk PMMA, while the latter is shown by e.g., the improved adhesion between silicone and titanium substrates, functionalized by a hydrosilane-modified poly(hydroxyethyl methacrylate) (PHEMA) brush. This review establishes that the clever design of polymer brushes can facilitate strong bonding between metals and various polymer materials or compatibilize fillers or nanoparticles with otherwise incompatible polymeric matrices. To realize the full potential of polymer brush functionalized materials, we discuss the progress in the synthesis of polymer brushes under ambient and scalable industrial conditions, and present recent developments in atom transfer radical polymerization for the large-scale production of brush-modified materials.

scholarly journals Mechanical Properties of DNA Hydrogels: Towards Highly Programmable Biomaterials

2021 ◽  
Vol 11 (4) ◽  
pp. 1885
Author(s):  
Joshua Bush ◽  
Chih-Hsiang Hu ◽  
Remi Veneziano
Keyword(s):  
Mechanical Properties ◽  
Large Scale ◽  
Mechanical Design ◽  
Three Dimensional ◽  
Biochemical Properties ◽  
Full Potential ◽  
Suitable Material ◽  
Functional Dna ◽  
Reaction Cascades ◽  
Dna Hydrogels

DNA hydrogels are self-assembled biomaterials that rely on Watson–Crick base pairing to form large-scale programmable three-dimensional networks of nanostructured DNA components. The unique mechanical and biochemical properties of DNA, along with its biocompatibility, make it a suitable material for the assembly of hydrogels with controllable mechanical properties and composition that could be used in several biomedical applications, including the design of novel multifunctional biomaterials. Numerous studies that have recently emerged, demonstrate the assembly of functional DNA hydrogels that are responsive to stimuli such as pH, light, temperature, biomolecules, and programmable strand-displacement reaction cascades. Recent studies have investigated the role of different factors such as linker flexibility, functionality, and chemical crosslinking on the macroscale mechanical properties of DNA hydrogels. In this review, we present the existing data and methods regarding the mechanical design of pure DNA hydrogels and hybrid DNA hydrogels, and their use as hydrogels for cell culture. The aim of this review is to facilitate further study and development of DNA hydrogels towards utilizing their full potential as multifeatured and highly programmable biomaterials with controlled mechanical properties.

scholarly journals Progress in Demand Response and It’s Industrial Applications

2021 ◽  
Vol 9 ◽  
Author(s):  
S. M. Shahnewaz Siddiquee ◽  
Bianca Howard ◽  
Ken Bruton ◽  
Alexander Brem ◽  
Dominic T. J. O'Sullivan
Keyword(s):  
Demand Response ◽  
Large Scale ◽  
Energy System ◽  
Industrial Applications ◽  
Research Progress ◽  
Financial Barriers ◽  
Financial Measures ◽  
Electricity Grid ◽  
Widespread Adoption ◽  
Potential Applications

Achieving energy flexibility is becoming a key concern for energy system planners that manage intermittent and variable generations. Industries have enormous potential to deliver large-scale energy flexibility through demand response (DR) programs. This industrial demand flexibility achieved through the demand response programs will enable widespread adoption of renewable sources in the electricity grid network. This paper aims to provide a comprehensive review of demand response and it’s industrial application by addressing: 1) Current research status, 2) Current stages of demand response applications in industries, and 3) Barriers in the deployment of DR programs. This study shows that there is significant research progress in recent years in the field of DR. It also shows potential applications of DR programs in industries. However, the study found several technical, policy, and financial barriers still exist, limiting the widespread adoption of DR. Thus, this paper offers recommendations on technical, policy, and financial measures needed to over-come the barriers and help facilitate the utilization of demand response potential, especially in industries.

Epigenetic Target Prediction with Accurate Machine Learning Models

2021 ◽  
Author(s):  
Norberto Sánchez-Cruz ◽  
Jose L. Medina-Franco
Keyword(s):  
Machine Learning ◽  
Small Molecules ◽  
Predictive Models ◽  
Large Scale ◽  
Target Prediction ◽  
Quantitative Measure ◽  
Learning Models ◽  
Discovery Research ◽  
Drug Discovery Research ◽  
Machine Learning Models

<p>Epigenetic targets are a significant focus for drug discovery research, as demonstrated by the eight approved epigenetic drugs for treatment of cancer and the increasing availability of chemogenomic data related to epigenetics. This data represents a large amount of structure-activity relationships that has not been exploited thus far for the development of predictive models to support medicinal chemistry efforts. Herein, we report the first large-scale study of 26318 compounds with a quantitative measure of biological activity for 55 protein targets with epigenetic activity. Through a systematic comparison of machine learning models trained on molecular fingerprints of different design, we built predictive models with high accuracy for the epigenetic target profiling of small molecules. The models were thoroughly validated showing mean precisions up to 0.952 for the epigenetic target prediction task. Our results indicate that the herein reported models have considerable potential to identify small molecules with epigenetic activity. Therefore, our results were implemented as freely accessible and easy-to-use web application.</p>

Computational and Experimental Binding Mechanism of DNA-drug Interactions

2019 ◽  
Vol 24 (32) ◽  
pp. 3739-3757 ◽  
Author(s):  
Chandrabose Selvaraj ◽  
Sanjeev K. Singh
Keyword(s):  
Small Molecules ◽  
Self Assembly ◽  
Genetic Material ◽  
Dna Interaction ◽  
Significant Feature ◽  
Drug Molecules ◽  
Potential Applications ◽  
Novel Drug ◽  
Groove Binders ◽  
Molecular Docking And Dynamics

Nucleic acid is the key unit and a predominant genetic material for interpreting the fundamental basis of genetic information in an organism and now it is used for the evolution of a novel group of therapeutics. To identify the potential impact on the biological science, it receives high recognition in therapeutic applications. Due to its selective recognition of molecular targets and pathways, DNA significantly imparts tremendous specificity of action. Examining the properties of DNA holds numerous advantages in assembly, interconnects, computational elements, along with potential applications of DNA self-assembly and scaffolding include nanoelectronics, biosensors, and programmable/autonomous molecular machines. The interaction of low molecular weight, small molecules with DNA is a significant feature in pharmacology. Based on the mode of binding mechanisms, small molecules are categorized as intercalators and groove binders having a significant role in target-based drug development. The understanding mechanism of drug-DNA interaction plays an important role in the development of novel drug molecules with more effective and lesser side effects. This article attempts to outline those interactions of drug-DNA with both experimental and computational advances, including ultraviolet (UV) -visible spectroscopy, fluorescent spectroscopy, circular dichroism, nuclear magnetic resonance (NMR), molecular docking and dynamics, and quantum mechanical applications.

Synthesis and biochemical properties of the novel, enzymatically stable mRNA cap analogues with versatile potential applications

2005 ◽  
Author(s):  
Marcin Kalek ◽  
Jacek Jemielity ◽  
Ewa Grudzien ◽  
Joanna Zuberek ◽  
Zbigniew M. Darzynkiewicz ◽  
...  
Keyword(s):  
Biochemical Properties ◽  
The Novel ◽  
Potential Applications

scholarly journals A novel ligand of the translationally controlled tumor protein (TCTP) identified by virtual drug screening for cancer differentiation therapy

2021 ◽  
Author(s):  
Nicolas Fischer ◽  
Ean-Jeong Seo ◽  
Sara Abdelfatah ◽  
Edmond Fleischer ◽  
Anette Klinger ◽  
...  
Keyword(s):  
Cell Cycle ◽  
Virtual Screening ◽  
Small Molecules ◽  
Large Scale ◽  
Differentiation Therapy ◽  
P53 Expression ◽  
Microscale Thermophoresis ◽  
Cycle Arrest ◽  
G1 Cell Cycle Arrest ◽  
Mcf 7

SummaryIntroduction Differentiation therapy is a promising strategy for cancer treatment. The translationally controlled tumor protein (TCTP) is an encouraging target in this context. By now, this field of research is still at its infancy, which motivated us to perform a large-scale screening for the identification of novel ligands of TCTP. We studied the binding mode and the effect of TCTP blockade on the cell cycle in different cancer cell lines. Methods Based on the ZINC-database, we performed virtual screening of 2,556,750 compounds to analyze the binding of small molecules to TCTP. The in silico results were confirmed by microscale thermophoresis. The effect of the new ligand molecules was investigated on cancer cell survival, flow cytometric cell cycle analysis and protein expression by Western blotting and co-immunoprecipitation in MOLT-4, MDA-MB-231, SK-OV-3 and MCF-7 cells. Results Large-scale virtual screening by PyRx combined with molecular docking by AutoDock4 revealed five candidate compounds. By microscale thermophoresis, ZINC10157406 (6-(4-fluorophenyl)-2-[(8-methoxy-4-methyl-2-quinazolinyl)amino]-4(3H)-pyrimidinone) was identified as TCTP ligand with a KD of 0.87 ± 0.38. ZINC10157406 revealed growth inhibitory effects and caused G0/G1 cell cycle arrest in MOLT-4, SK-OV-3 and MCF-7 cells. ZINC10157406 (2 × IC50) downregulated TCTP expression by 86.70 ± 0.44% and upregulated p53 expression by 177.60 ± 12.46%. We validated ZINC10157406 binding to the p53 interaction site of TCTP and replacing p53 by co-immunoprecipitation. Discussion ZINC10157406 was identified as potent ligand of TCTP by in silico and in vitro methods. The compound bound to TCTP with a considerably higher affinity compared to artesunate as known TCTP inhibitor. We were able to demonstrate the effect of TCTP blockade at the p53 binding site, i.e. expression of TCTP decreased, whereas p53 expression increased. This effect was accompanied by a dose-dependent decrease of CDK2, CDK4, CDK, cyclin D1 and cyclin D3 causing a G0/G1 cell cycle arrest in MOLT-4, SK-OV-3 and MCF-7 cells. Our findings are supposed to stimulate further research on TCTP-specific small molecules for differentiation therapy in oncology.

scholarly journals C4 Bacterial Volatiles Improve Plant Health

Pathogens ◽  
2021 ◽  
Vol 10 (6) ◽  
pp. 682
Author(s):  
Bruno Henrique Silva Dias ◽  
Sung-Hee Jung ◽  
Juliana Velasco de Castro Oliveira ◽  
Choong-Min Ryu
Keyword(s):  
Plant Growth ◽  
Volatile Compounds ◽  
Large Scale ◽  
Growth Promotion ◽  
Plant Growth Promoting Rhizobacteria ◽  
Plant Health ◽  
Systemic Resistance ◽  
Potential Applications ◽  
Plant Growth Promoting ◽  
Bacterial Volatiles

Plant growth-promoting rhizobacteria (PGPR) associated with plant roots can trigger plant growth promotion and induced systemic resistance. Several bacterial determinants including cell-wall components and secreted compounds have been identified to date. Here, we review a group of low-molecular-weight volatile compounds released by PGPR, which improve plant health, mostly by protecting plants against pathogen attack under greenhouse and field conditions. We particularly focus on C4 bacterial volatile compounds (BVCs), such as 2,3-butanediol and acetoin, which have been shown to activate the plant immune response and to promote plant growth at the molecular level as well as in large-scale field applications. We also disc/ uss the potential applications, metabolic engineering, and large-scale fermentation of C4 BVCs. The C4 bacterial volatiles act as airborne signals and therefore represent a new type of biocontrol agent. Further advances in the encapsulation procedure, together with the development of standards and guidelines, will promote the application of C4 volatiles in the field.

scholarly journals CFTR Lifecycle Map—A Systems Medicine Model of CFTR Maturation to Predict Possible Active Compound Combinations

2021 ◽  
Vol 22 (14) ◽  
pp. 7590
Author(s):  
Liza Vinhoven ◽  
Frauke Stanke ◽  
Sylvia Hafkemeyer ◽  
Manuel Manfred Nietert
Keyword(s):  
Large Scale ◽  
Synergistic Effects ◽  
Small Scale ◽  
Systems Medicine ◽  
Promising Candidate ◽  
Cftr Mutations ◽  
Machine Readable ◽  
High Throughput Screens ◽  
Readable Format ◽  
Machine Readable Format

Different causative therapeutics for CF patients have been developed. There are still no mutation-specific therapeutics for some patients, especially those with rare CFTR mutations. For this purpose, high-throughput screens have been performed which result in various candidate compounds, with mostly unclear modes of action. In order to elucidate the mechanism of action for promising candidate substances and to be able to predict possible synergistic effects of substance combinations, we used a systems biology approach to create a model of the CFTR maturation pathway in cells in a standardized, human- and machine-readable format. It is composed of a core map, manually curated from small-scale experiments in human cells, and a coarse map including interactors identified in large-scale efforts. The manually curated core map includes 170 different molecular entities and 156 reactions from 221 publications. The coarse map encompasses 1384 unique proteins from four publications. The overlap between the two data sources amounts to 46 proteins. The CFTR Lifecycle Map can be used to support the identification of potential targets inside the cell and elucidate the mode of action for candidate substances. It thereby provides a backbone to structure available data as well as a tool to develop hypotheses regarding novel therapeutics.

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