Article
Chemistry, Applied
Hengle Zhou, Fuhai Wang, Huihui Niu, Lei Yuan, Jun Tian, Shengbao Cai, Xiufang Bi, Linyan Zhou
Summary: In this study, molecular dynamics simulation and spectroscopic experiments were used to explore the conformational changes of PPO under high pressure, revealing significant differences in conformational changes at 200 and 600 MPa, which were consistent with binding affinity.
Article
Biotechnology & Applied Microbiology
Kiran Reddy Kanubaddi, Ching-Lun Yang, Pei-Yu Huang, Chung-Yin Lin, Dar-Fu Tai, Chia-Hung Lee
Summary: Peptide conformational imprints (PCIs) provide a promising approach to generate binding sites for enzymes with high catalytic activity and stability. In this study, a new chiral cross-linker was synthesized to control the matrix morphology of PCIs on magnetic particles (PCIMPs) and stabilize their recognition capability. The PCIMPs with helical cavities were formed to specifically adsorb at the targeted position of papain (PAP). The PCIMPs(65-79) showed the best binding parameters to PAP and PAP/PCIMPs exhibited sustained activity after four consecutive cycles.
FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY
(2022)
Article
Green & Sustainable Science & Technology
Rodolpho R. C. Monteiro, Sara Arana-Pena, Thays N. da Rocha, Leticia P. Miranda, Angel Berenguer-Murcia, Paulo W. Tardioli, C. S. dos Santos, Roberto Fernandez-Lafuente
Summary: The study discusses the application of liquid lipase formulation Eversa in biodiesel production and the enhancement of its performance through immobilization, proposing the concept of using combi-lipases is preferable over the concept of optimal lipase for biodiesel production.
Review
Food Science & Technology
Zhaolin Huang, Dawei Ni, Ziwei Chen, Yingying Zhu, Wenli Zhang, Wanmeng Mu
Summary: Enzymes can produce high-quality food with low pollution, high function, high acceptability, and medical aid. However, most enzymes, in their native form, do not meet the industrial requirements. Sequence-based and structure-based methods are the two main strategies used for enzyme modification. Molecular Dynamics (MD) simulation, as a comprehensive technology, has been widely used for structure information analysis and enzyme modification. This review focuses on the progress and development of MD simulation, its application in various food enzymes for thermostability and catalytic improvement, and the limitations and prospects of MD simulation in food enzyme modification research.
CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION
(2023)
Article
Chemistry, Multidisciplinary
Antia Pintor, Ivan Lavandera, Alexey Volkov, Vicente Gotor-Fernandez
Summary: The study focused on finding an ideal biocatalyst for the acylation of furfurylamine and 5-hydroxymethylfurfurylamine (HMFA), and identified immobilized Candida antarctica lipase B (CALB) as a suitable option. CALB was immobilized on different supports and the use of a polymer-coated controlled porosity glass carrier material yielded an active and stable enzymatic preparation for the acylation reaction. By controlling the amount of acyl donor in the reaction, selective modification of the amine group of HMFA was achieved, resulting in the formation of hydroxy amides. The reaction conditions and substrate concentration were optimized to achieve high conversions and yields. The study also demonstrated the possibility of obtaining orthogonally protected HMFA-derived amido esters through a one-pot process.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Bhabatosh Mandal, Sneha Mondal, Biswajit Hansda, Shailja Mishra, Ankit Ghosh, Tirtha Biswas, Basudev Das, Tanay Kumar Mondal, Pallavi Kumari
Summary: Enzyme immobilization is a crucial technique that improves enzyme stability and activity. In this study, urease was successfully immobilized on three-dimensional silica gel, resulting in a catalyst with high efficiency and reusability. The immobilized enzyme also showed good adaptability and retained its native conformation in different environments.
Article
Chemistry, Physical
Eimantas Ramonas, Atefeh Shafaat, Marius Dagys, Tautgirdas Ruzgas, Dalius Ratautas
Summary: This study investigated the catalytic properties of citrate-capped gold nanoparticles and gold nanoparticle-protein conjugates, showing that gold nanoparticles form stable conjugates with proteins but do not increase enzyme activity. Under certain conditions, gold nanoparticles can mimic enzymatic reactions, emphasizing the need for specific measurements to differentiate between enzyme and gold nanoparticle-catalyzed reactions.
JOURNAL OF CATALYSIS
(2021)
Article
Energy & Fuels
Jun Zhang, Xiaoyan Chen, Pengmei Lv, Wen Luo, Zhiyuan Wang, Jingliang Xu, Zhongming Wang
Summary: In this study, a green and simple bionic-immobilization method was developed for the immobilization of recombinant lipase using bio-silicification, resulting in a high immobilization efficiency and activity recovery. The bionic-immobilization significantly improved the thermal stability, storage stability, and resistance of the bionic-immobilized lipase, with key amino acid residues and molecular conformation playing crucial roles. Additionally, biodiesel production using the bionic-immobilized lipase as catalyst showed high yield and catalytic activity, demonstrating the potential of bionic-immobilization for industrial applications.
Article
Engineering, Environmental
Jantiya Isanapong, Peerapong Pornwongthong
Summary: The study found that immobilized laccase on zinc oxide nanostructure showed higher efficiency in TBA biodegradation compared to suspended enzyme, with potential for repeated use and cost reduction.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Engineering, Chemical
Fiona W. M. Ling, Hayder A. Abdulbari, Sim-Yee Chin
Summary: The unique micro-mixing environment provided by microfluidic technology offers new opportunities for higher reaction rates and improved product quality using known nanoparticle formulation techniques. This study introduces novel methods for formulating silica nanoparticles and immobilizing lipase in a microflow environment, with results showing that the nanoparticles produced in the microfluidic reactor exhibit higher dispersity and smaller size compared to traditional bench-scale methods. Furthermore, the immobilization of lipase is found to be more effective when using silica nanoparticles synthesized in microflow systems.
CHEMICAL ENGINEERING & TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Yifan Feng, Ruixuan Shi, Mingfang Yang, Yunlong Zheng, Zhenjie Zhang, Yao Chen
Summary: By utilizing the dissociation equilibrium of metal-organic frameworks (MOFs) mediated by enzymes, a dynamic defect generation strategy for enzyme immobilization is created to overcome the current challenges. Enzymes can compete with original ligands and generate defects by releasing metal clusters of MOFs, allowing for the gradual transport of enzymes from the surface to inside. Various enzymes can be efficiently immobilized in MOFs to create composites with good enzymatic activities, protective performances, and exceptional reusabilities. In addition, multienzyme bioreactors capable of efficient cascade reactions can be generated. This study provides new opportunities for constructing highly efficient biocatalysts incorporating different types of enzymes.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Biotechnology & Applied Microbiology
Nicholus Bhattacharjee, Lur Alonso-Cotchico, Maria Fatima Lucas
Summary: In recent years, simulations have been extensively used to understand the structural and dynamic aspects of enzyme immobilization strategies. This review discusses the use of molecular dynamics simulations to characterize surface phenomena in enzyme immobilization, and their impact on enzyme properties such as activity and stability. Various computational studies on enzyme immobilization using nanoparticles, self-assembled monolayers, graphene and carbon nanotubes, and other surfaces are covered. However, the use of simulations to predict protocols controlling the impact of enzyme immobilization on enzyme properties is still lacking.
FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Hongbo Suo, Qi Qi, Xusheng Dai, Xinyue Geng, Qi Li, Jie Yang, Guoyun Liu, Renmin Liu, Lili Xu
Summary: Recently, ionic liquids (ILs) have emerged as promising tools for activating and stabilizing enzymes. In this study, magnetic Ca2+-based metal-organic framework (CaBDC) was functionalized with imidazolium-based ILs and used to immobilize lipase. The resulting PPL-ILs/MCaBDC composites exhibited significantly enhanced activity, thermal and storage stability compared to PPL-MCaBDC. The study also analyzed the interactions between the support and the enzyme, providing insights into the structural changes of the immobilized lipase.
REACTION CHEMISTRY & ENGINEERING
(2023)
Article
Engineering, Environmental
Melis Bayraktaroglu, Beatriz Jurado-Sanchez, Murat Uygun
Summary: The use of PEDOT-Au/peroxidase micromotors for removing phenolic compounds in industrial wastewater shows great potential, with increased enzymatic activity and removal efficiency observed compared to using free peroxidase. This newly developed bioremediation strategy holds promise for applications in large-scale water treatment systems and environmental processes.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Biochemistry & Molecular Biology
Meng Qiao, Junjie Zhang, Jingmin Li, Lu Xing, Xue Zhou, Yunchang Xie, Xing Zhang
Summary: This study successfully constructed an expression system and immobilized the enzymes, obtaining high expression levels and good water solubility for hyaluronic acid synthase and chondroitin synthase. The use of metal-organic frameworks as carriers efficiently catalyzed the synthesis of hyaluronic acid and chondroitin, with good stability and reusability.
PROCESS BIOCHEMISTRY
(2023)
Article
Polymer Science
Alessandro Pellis, Enrique Herrero Acero, Lucia Gardossi, Valerio Ferrario, Georg M. Guebitz
POLYMER INTERNATIONAL
(2016)
Article
Chemistry, Multidisciplinary
Alessandro Pellis, Valerio Ferrario, Marco Cespugli, Livia Corici, Alice Guarneri, Barbara Zartl, Enrique Herrero Acero, Cynthia Ebert, Georg M. Guebitz, Lucia Gardossi
Article
Biochemistry & Molecular Biology
Valerio Ferrario, Juergen Pleiss
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2019)
Article
Biochemistry & Molecular Biology
Valerio Ferrario, Niels Hansen, Juergen Pleiss
JOURNAL OF INORGANIC BIOCHEMISTRY
(2018)
Article
Chemistry, Physical
Marco Cespugli, Simone Lotteria, Luciano Navarini, Valentina Lonzarich, Lorenzo Del Terra, Francesca Vita, Marina Zweyer, Giovanna Baldini, Valerio Ferrario, Cynthia Ebert, Lucia Gardossi
Article
Physics, Multidisciplinary
Valerio Ferrario, Juergen Pleiss
EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS
(2019)
Article
Biochemistry & Molecular Biology
Patrick C. F. Buchholz, Valerio Ferrario, Martina Pohl, Lucia Gardossi, Juergen Pleiss
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
(2019)
Article
Multidisciplinary Sciences
Valerio Ferrario, Mona Fischer, Yushan Zhu, Juergen Pleiss
SCIENTIFIC REPORTS
(2019)
Article
Chemistry, Physical
Eko Aditya Rifai, Valerio Ferrario, Jurgen Pleiss, Daan P. Geerke
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2020)
Article
Biochemistry & Molecular Biology
Marco Mangiagalli, Henrique Carvalho, Antonino Natalello, Valerio Ferrario, Matteo Luigi Pennati, Alberto Barbiroli, Marina Lotti, Juergen Pleiss, Stefania Brocca
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2020)
Article
Chemistry, Physical
Paula Bracco, Nelleke van Midden, Epifania Arango, Guzman Torrelo, Valerio Ferrario, Lucia Gardossi, Ulf Hanefeld
Article
Computer Science, Software Engineering
Karsten Schatz, Juan Jose Franco-Moreno, Marco Schafer, Alexander S. Rose, Valerio Ferrario, Jurgen Pleiss, Pere-Pau Vazquez, Thomas Ertl, Michael Krone
Summary: When studying protein-ligand interactions, it is important to consider the overall behavior of the system rather than focusing solely on individual ligand molecules. To address visualization challenges, a preprocessing pipeline is used to aggregate movement data relative to a receptor protein, and a web-based visualization application combines multiple linked 2D and 3D views. This approach results in an interactive visualization system that is independent of underlying data size.
COMPUTER GRAPHICS FORUM
(2021)
Article
Chemistry, Physical
Valerio Ferrario, Anamaria Todea, Lisa Wolansky, Nicola Piovesan, Alice Guarneri, Doris Ribitsch, Georg M. Guebitz, Lucia Gardossi, Alessandro Pellis
Summary: This study successfully synthesized aliphatic oligoesters with different molecular weights and conversion rates using immobilized biocatalysts in solvent-free systems. In order to improve the reaction efficiency, two different binding modules were fused on the surface of the biocatalyst, and the fusion enzymes were immobilized on epoxy-activated beads.
Article
Biotechnology & Applied Microbiology
Valerio Ferrario
CHIMICA OGGI-CHEMISTRY TODAY
(2018)
Meeting Abstract
Chemistry, Multidisciplinary
Alessandro Pellis, Enrique Herrero Acero, Valerio Ferrario, Lucia Gardossi, Georg Guebitz
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)