Enzyme Immobilization on Polymer Membranes: A Quantum and Molecular Mechanics Study

Petrosino, Francesco; Curcio, Stefano; Chakraborty, Sudip; Luca, Giorgio De

doi:10.3390/computation7040056

Cited by 26 publications

(12 citation statements)

References 25 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The ZnO-blended CA membrane contains both organic (polymer) and inorganic (ZnO) components. The photocatalytic degradation for ZnO photocatalyst was investigated [ 42 , 43 , 44 ]. The CA-ZnO membrane evaluated the photocatalytic degradation of MB, a well-known organic dye performed with a stable solution at room temperature [ 45 , 46 ].…”

Section: Resultsmentioning

confidence: 99%

Photocatalytic Degradation of Textile Dye on Blended Cellulose Acetate Membranes

et al. 2022

Self Cite

View full text Add to dashboard Cite

This work aimed to investigate the degradation performance of natural cellulose acetate (CA) membranes filled with ZnO nanostructures. Photocatalytic degradation of reactive toxic dye methylene blue (MB) was studied as a model reaction using UV light. A CA membrane was previously casted and fabricated through the phase inversion processes and laboratory-synthesized ZnO microparticles as filler. The prepared membrane was characterized for pore size, ultrafiltration (UF) performance, porosity, morphology using scanning electron micrographs (SEM), water contact angle and catalytic degradation of MB. The prepared membrane shows a significant amount of photocatalytic oxidation under UV. The photocatalytic results under UV-light radiation in CA filled with ZnO nanoparticles (CA/ZnO) demonstrated faster and more efficient MB degradation, resulting in more than 30% of initial concentration. The results also revealed how the CA/ZnO combination effectively improves the membrane’s photocatalytic activity toward methylene blue (MB), showing that the degradation process of dye solutions to UV light is chemically and physically stable and cost-effective. This photocatalytic activity toward MB of the cellulose acetate membranes has the potential to make these membranes serious competitors for removing textile dye and other pollutants from aqueous solutions. Hence, polymer–ZnO composite membranes were considered a valuable and attractive topic in membrane technology.

show abstract

Section: Resultsmentioning

confidence: 99%

Photocatalytic Degradation of Textile Dye on Blended Cellulose Acetate Membranes

et al. 2022

Self Cite

View full text Add to dashboard Cite

show abstract

“…A home made algorithm was implemented so as to obtain the coordinates of the BSA external amino acids from its crystallographic structure. (Curcio et al, 2018;Petrosino et al, 2019).…”

Section: Quantum Mechanics Calculationsmentioning

confidence: 99%

“…It is worthwhile remarking that the atomic partial charges were evaluated taking into account both the protonation and the de protonation of external amino acids according to the pH value related to the structure of the considered BSA, as shown in (De Luca et al, 2014). The ESP method allowed evaluating the atomic charges from the fitting of the quantum mechanical electro static potential on selected grid points centered on each of the atoms of the aforementioned calculated external surface (Curcio et al, 2018;Petrosino et al, 2019). Finally, the BSA total charge number, Z, was evaluated (De Luca et al, 2014).…”

Section: Quantum Mechanics Calculationsmentioning

confidence: 99%

“…In this way, a physical limit to both the volume fraction and the additional resistance, as due to adsorbed macromolecules, was rigorously calculated. However, in these papers (De Luca et al, 2014;Curcio et al, 2018;Petrosino et al, 2019) only the interactions between a lim ited number of macromolecules and the surface was analyzed. Nevertheless, the methods used to simulate the phenomena in mesoscopic and macroscopic scales were founded on a major assumption: the formation of the protein deposit layers towards the bulk, in fact, was simulated through a force balance written with reference to a specific protein packing symmetry that yielded a compactly ordered cake.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Osmotic pressure and transport coefficient in ultrafiltration: A Monte Carlo study using quantum surface charges

Petrosino

Hallez

Luca

et al. 2020

Chemical Engineering Science

View full text Add to dashboard Cite

The calculation of the Osmotic Pressure and the Diffusion Coefficient. characterizing the cake layer devel oping during the Ultrafiltration (UF) of Bovine Serum Albumin (BSA), through a Multiscale Model based on Quantum Mechanics (QM) and Monte Carlo methods (MC) was the aim of this work. From the ab initio results described in previous works, the distribution of the BSA surface charges was used. A home made Metropolis MC algorithm. aimed at simulating the formation of BSA loose or concentrated layers during membrane operations, was also implemented. In such a MC algorithm, a DLVO energy calculation methodology of the adsorbed system was developed Different MC simulations and Hypernetted Chain theory (HNC) calculations were performed so to determine both the Osmotic Pressure and the Diffusion Coefficient of BSA according to the Chun and Bowen approach, thus allowing a comparison between the calculated values of osrnotic pres sure and a set of experimental data taken from the litera ture. Such a comparison showed a good agreement between the simulated and the experimental results. teins, protein hydrolysates, polysaccharides, vitamins and amino acids are important steps in the food industry due to the large number of possible applications (Zin et al., 2016; Nath et al., 2014). In particular, Ult rafiltration (UF) is widely used in colloidal dispersions treatment and has become a standard method in protein recovery due to its good performance in terms of cost and selectivity (Saha et al., 2017).

show abstract

“…So, as a result of enzyme immobilization, some changes may occur in the enzymatic activity, optimum operating temperature and pH values, affinity for the substrate, and the stability of the enzymes in comparison to the free enzymes traits. And, all these factors depend on the type of enzymes, the support material that the enzyme is immobilized, and the immobilization conditions (Huang et al, 2018;Liu and Chen, 2016;Petrosino et al, 2019;Wang et al, 2020). The systems created with enzyme immobilization has combined specific physical, chemical, biochemical, mechanical and kinetic properties of both the enzyme and the support material (Homaei et al, 2013).…”

Section: Introductionmentioning

confidence: 99%

Thermo-responsive super porous p(NIPAM) cryogels affords enhanced thermal stability and activity for ɑ-Glucosidase enzyme by entrapping in situ

Demirci¹,

Şahiner²

2021

Preprint

View full text Add to dashboard Cite

The concept of using a thermo-responsive p(NIPAM) polymer matrix for enzyme immobilization with lower critical solution temperature (LCST) value is rationalized by availability of the compartmental milieu to enzymes to operate within super porous 3-D matrix with special environmental conditions. Therefore, the enzyme immobilization within a support material will be carried out under the storage conditions of enzymes, generally ~-20 oC to afford unnecessarily loss of enzyme functionality in comparison to the other enzyme entrapment methods. Thus, here ɑ-Glucosidase as a model enzyme was entrapped within thermo-responsive super porous p(NIPAM) cryogels (ɑ-Glu@p(NIPAM) during the synthesis that uses cryogenic condition, ~-20 oC. The LSCT value for the prepared p(NIPAM) based cryogels were determined as 34.6±1.2 oC. The immobilization yield, immobilization efficiency, and activity recovery% values were calculated as 89.4±3.1, 66.2±3.3, and 74.0±3.3%, respectively at pH 6.8 and 37 oC for ɑ-Glu@p(NIPAM) cryogel system. Interestingly, the optimum working conditions were achieved as 25 oC and pH 6.8 with higher activity, 98.4±0.2% for the prepared ɑ-Glu@p(NIPAM) cryogel system. The operational and storage stability studies revealed that the prepared ɑ-Glu@p(NIPAM) cryogel system possessed much better operational and storage stability than free ɑ-Glu enzyme e.g., more than 50% activity after 10th usage and 10-day room temperature storage time. Moreover, the kinetic parameters such as Km and Vmax of free-Glu enzyme and ɑ-Glu@p(NIPAM) cryogel system were calculated by non-linear Michaelis-Menten equation.

show abstract

Enzyme Immobilization on Polymer Membranes: A Quantum and Molecular Mechanics Study

Cited by 26 publications

References 25 publications

Photocatalytic Degradation of Textile Dye on Blended Cellulose Acetate Membranes

Photocatalytic Degradation of Textile Dye on Blended Cellulose Acetate Membranes

Osmotic pressure and transport coefficient in ultrafiltration: A Monte Carlo study using quantum surface charges

Thermo-responsive super porous p(NIPAM) cryogels affords enhanced thermal stability and activity for ɑ-Glucosidase enzyme by entrapping in situ

Contact Info

Product

Resources

About