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Records Added in April 2021
Records added in April 2021
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76. LAPSE:2021.0249
Synthesis of Peptide-Immobilized Magnetic Beads, and Peptide Reactivity Assay for Assessing Skin Sensitization Utilizing Chromophore
April 27, 2021 (v1)
Subject: Materials
Keywords: alternatives to animal testing, DPRA, magnetic beads, peptide synthesis, skin sensitization
DPRA (direct peptide reactivity assay) and ADRA (amino acid derivative reactivity assay), which are based on the biological events of skin sensitization, were developed as alternatives to the controversial animal experiments. These assays are described in the OECD (Organization for Economic Co-operation and Development) guideline, Test No. 442C. Although these assays have been endorsed by the industries and internationally accepted as promising and effective tests for in vitro skin sensitization, they suffer from several drawbacks, such as incompatibility with hydrophobic chemicals and complicated sample processing. Here, we demonstrated a chromophore-based solid phase peptide reaction assay in vitro using peptides immobilized on magnetic beads (C-SPRA-MB). We successfully synthesized lysine (Lys) and cysteine (Cys) immobilized on magnetic microbeads. However, Cys immobilized magnetic microbeads showed gradual decomposition of the magnetic beads due to SH oxidation. Using Lys immobiliz... [more]
77. LAPSE:2021.0248
Numerical Modeling of Thermal Flows in Entrance Channels for Polymer Extrusion: A Parametric Study
April 27, 2021 (v1)
Subject: Modelling and Simulations
Keywords: Casson model, circular tube, extrusion die, finite element method, parallel-plate, Poiseuille flows
Flow distribution channels in extrusion dies are typically designed to assure uniform fluid velocity, pressure and temperature in the outlets. To ensure this uniformity, it is desirable to have the fluid melt to reach a steady state temperature in the entrance channel before entering the die body. This paper numerically investigates the temperature distribution of the fluid melt in the entrance channel. Analytical solutions of the velocity and finite element solutions of temperature distribution in Poiseuille flows of polypropylene melt with the Casson rheology model were derived and presented. In the velocity solution, the critical point that separates the core and the remaining parts in the flow was calculated by using the inlet flow rate and the yield stress in the Casson model. The velocity distribution was then substituted into the convective heat equation for temperature distribution simulations. A finite difference scheme was used to obtain the temperature distribution profiles... [more]
78. LAPSE:2021.0247
Kinetics of Quality Changes in Soaking Water during the Retting Process of Pepper Berries (Piper nigrum L.)
April 27, 2021 (v1)
Subject: Food & Agricultural Processes
Keywords: kinetics, pepper, quality changes, retting, soaking water
There are organic matters and bioactive compounds naturally present in pepper that may have leached out into the soaking water due to a prolonged retting process that caused changes in water quality. This study was carried out to determine the influences of different quantities of mature pepper berries and soaking time on the quality of soaking water during the retting process. The soaking test was conducted by having three tanks with different quantities of pepper berries soaked in the 18 L of water. The results show that the tank with the highest quantities of pepper berries has the highest increment of turbidity from 21.80 ± 1.90 NTU to 1103.30 ± 23.10 NTU (98%), the highest reduction in pH from 6.99 ± 0.02 to 3.67 ± 0.02 (47.50%), the highest reduction in dissolved oxygen from 5.19 ± 0.17 mg/L to 1.05 ± 0.02 mg/L (79.77%) and the highest increment of chemical oxygen demand from 21.67 ± 1.15 mg/L to 3243.33 ± 5.77 mg/L (99.33%) compared to other tanks. Furthermore, the zero, first a... [more]
79. LAPSE:2021.0246
Effects of Alginate and Chitosan on Activated Carbon as Immobilisation Beads in Biohydrogen Production
April 27, 2021 (v1)
Subject: Biosystems
Keywords: activated carbon, alginate, biohydrogen production, chitosan, entrapment, immobilised cells
In this study, the effects of alginate and chitosan as entrapped materials in the biofilm formation of microbial attachment on activated carbon was determined for biohydrogen production. Five different batch fermentations, consisting of mixed concentration alginate (Alg), were carried out in a bioreactor at temperature of 60 °C and pH 6.0, using granular activated carbon (GAC) as a primer for cell attachment and colonisation. It was found that the highest hydrogen production rate (HPR) of the GAC−Alg beads was 2.47 ± 0.47 mmol H2/l.h, and the H2 yield of 2.09 ± 0.22 mol H2/mol sugar was obtained at the ratio of 2 g/L of Alg concentration. Next, the effect of chitosan (C) as an external polymer layer of the GAC−Alg beads was investigated as an alternative approach to protecting the microbial population in the biofilm in a robust environment. The formation of GAC with Alg and chitosan (GAC−AlgC) beads gave the highest HPR of 0.93 ± 0.05 mmol H2/l.h, and H2 yield of 1.11 ± 0.35 mol H2/mol... [more]
80. LAPSE:2021.0245
Recent Development of Microfluidic Technology for Cell Trapping in Single Cell Analysis: A Review
April 27, 2021 (v1)
Subject: Biosystems
Keywords: cell trapping, microfluidic, review, single cell analysis
Microfluidic technology has emerged from the MEMS (Micro-Electro-Mechanical System)-technology as an important research field. During the last decade, various microfluidic technologies have been developed to open up a new era for biological studies. To understand the function of single cells, it is very important to monitor the dynamic behavior of a single cell in a living environment. Cell trapping in single cell analysis is urgently demanded There have been some review papers focusing on drug screen and cell analysis. However, cell trapping in single cell analysis has rarely been covered in the previous reviews. The present paper focuses on recent developments of cell trapping and highlights the mechanisms, governing equations and key parameters affecting the cell trapping efficiency by contact-based and contactless approach. The applications of the cell trapping method are discussed according to their basic research areas, such as biology and tissue engineering. Finally, the paper h... [more]
81. LAPSE:2021.0244
Numerical Characterization of Cohesive and Non-Cohesive ‘Sediments’ under Different Consolidation States Using 3D DEM Triaxial Experiments
April 27, 2021 (v1)
Subject: Modelling and Simulations
Keywords: cohesion, consolidation state, DEM, peak shear strength, sediments
The Discrete Element Method has been widely used to simulate geo-materials due to time and scale limitations met in the field and laboratories. While cohesionless geo-materials were the focus of many previous studies, the deformation of cohesive geo-materials in 3D remained poorly characterized. Here, we aimed to generate a range of numerical ‘sediments’, assess their mechanical response to stress and compare their response with laboratory tests, focusing on differences between the micro- and macro-material properties. We simulated two endmembers—clay (cohesive) and sand (cohesionless). The materials were tested in a 3D triaxial numerical setup, under different simulated burial stresses and consolidation states. Variations in particle contact or individual bond strengths generate first order influence on the stress−strain response, i.e., a different deformation style of the numerical sand or clay. Increased burial depth generates a second order influence, elevating peak shear strength.... [more]
82. LAPSE:2021.0243
Study on Two Types of Stall Patterns in a Centrifugal Compressor with a Wide Vaneless Diffuser
April 27, 2021 (v1)
Subject: Modelling and Simulations
Keywords: centrifugal compressor, numerical simulation, radius ratio, rotating stall pattern, wide vaneless diffuser
Two types of stall patterns in the centrifugal compressor with a wide vaneless diffuser were numerically studied in this paper. We carried out kinds of three-dimensional numerical simulations of the instability process in wide vaneless diffusers with different radius ratios. The results show that there are two kinds of stall patterns in wide vaneless diffusers with different radius ratios. For a short diffuser with a radius ratio of 1.5, the speed of the propagation of stalled cells is relatively high, and the propagation speed and frequency of stall cells do not change with the decrease in the flow rate. For a long diffuser with a radius ratio of 1.8, the propagation velocity of stall cells is smaller to the one in the short diffuser, and increases with the decrease in flow rate. For wide vaneless diffusers with different radius ratios, the main factor causing stall is the outlet reflux. Reducing the radius ratio of the wide vaneless diffuser has an important influence on the stabilit... [more]
83. LAPSE:2021.0242
Red Wine Aging by Different Micro-Oxygenation Systems and Oak Wood—Effects on Anthocyanins, Copigmentation and Color Evolution
April 27, 2021 (v1)
Subject: Food & Agricultural Processes
Keywords: active micro-oxygenation, anthocyanins, barrel, oxygen, passive micro-oxygenation, staves
The micro-oxygenation (MOX) of aged wine in contact with pieces of wood is a technique widely used for aging wines as an alternative to barrels. The available range of passive MOX systems is very wide and offers a behavior closer to that of barrels because it uses materials with a similar permeability to oxygen. The aim of this work has been to age the same red wine for 6 months using the main passive MOX systems and compare them with the classic MOX in stainless steel tanks and with barrels as a reference, in order to evaluate phenolic composition and establish its influence. The quantity and the way in which oxygen is incorporated into wine have been found to determine its evolution and final properties. Wine from barrels could be distinguished throughout the aging period since a better level of individualized anthocyanins was maintained, whereas stainless steel + MOX and PMDS (polydimethylsiloxane) wines presented more bluish hues.
84. LAPSE:2021.0241
Assessment of the Release Profile of Fibroblast Growth Factor-2-Load Mesoporous Calcium Silicate/Poly-ε-caprolactone 3D Scaffold for Regulate Bone Regeneration
April 27, 2021 (v1)
Subject: Biosystems
Keywords: 3D printing, bone tissue engineering, drug delivery, fibroblast growth factor-2, mesoporous calcium silicate nanoparticle
Recent advances in three-dimensional printing technology enable facile and on-demand fabrication of patient-specific bone scaffolds. However, there is still an urgent need for printable biomaterials with osteoinductivity. In the present study, we propose an approach to synthesize fibroblast growth factor-2 loaded-mesoporous calcium silicate nanoparticles. The growth factor loaded-nanoparticles served as fillers of polycaprolactone and then the composite scaffolds with a controlled pore structure were obtained through a fused deposition modeling technique. To evaluate the feasibility of the composite scaffolds in bone tissue engineering, drug release kinetic, bioactivity, cell proliferation, differentiation, and animal study were conducted. Our findings illustrate that utilization of mesoporous calcium silicate allowed the introduction of fibroblast growth factor-2 into the composite scaffolds through a simple soaking process and then gradually released from the scaffold to facilitate p... [more]
85. LAPSE:2021.0240
Modification of Graphite Felt with Lead (II) Formate and Acetate—An Approach for Preparation of Lightweight Electrodes for a Lead-Acid Battery
April 27, 2021 (v1)
Subject: Materials
Keywords: calcination, graphite felt, impregnation, lead-acid batteries, lightweight electrodes
Lead-acid battery (LAB) weight is a major downside stopping it from being adapted to electric/hybrid vehicles. Lead grids constitute up to 50% of LAB electrode’s weight and it only ensures electric connection to electrochemically active material and provides structural integrity. Using graphite felt (GF) as a current collector can reduce the electrode’s weight while increasing the surface area. Modification of GF with lead (II) oxide using impregnation and calcination techniques and lead (II) formate and acetate as precursors was conducted to produce composite electrodes. It was found that lead (II) formate is not a viable material for this purpose, whereas multiple impregnation in lead (II) acetate saturated solution and calcination in air leads to thermal destruction GF. However, impregnation and calcination under nitrogen atmosphere in three cycles produced a sample of good quality with a mass loading of lead (II) oxide that was 17.18 g g−1 GF. This equates to only 5.5% of the total... [more]
86. LAPSE:2021.0239
Study on the Sustainability Evaluation Method of Logistics Parks Based on Emergy
April 27, 2021 (v1)
Subject: Energy Management
Keywords: emergy, logistics parks, Renewable and Sustainable Energy
To improve the sustainable development ability of logistics parks, this study constructs a sustainability evaluation method of logistics parks based on emergy; analyzes the input (energy, land, investment, equipment, information technology, and human resources) and output (income and waste) of logistics parks from the perspective of emergy; studies the characteristics of the emergy flow of logistics parks; and constructs the function, structure, ecological efficiency, and sustainable development indexes of logistics parks. The basic situation, resource efficiency, and environmental friendliness of the logistics parks are comprehensively evaluated from the emergy point of view. On this basis, targeted decision suggestions are provided for the sustainable development of logistics parks. Finally, the feasibility and effectiveness of the method are verified by an example. This study reveals the internal relationship among economic, environmental, and social benefits of logistics parks thro... [more]
87. LAPSE:2021.0238
Material Requirements Planning Using Variable-Sized Bin-Packing Problem Formulation with Due Date and Grouping Constraints
April 27, 2021 (v1)
Subject: Planning & Scheduling
Keywords: bin-packing problem, material requirements planning, mixed-integer linear programming
Correct planning is crucial for efficient production and best quality of products. The planning processes are commonly supported with computer solutions; however manual interactions are commonly needed, as sometimes the problems do not fit the general-purpose planning systems. The manual planning approach is time consuming and prone to errors. Solutions to automatize structured problems are needed. In this paper, we deal with material requirements planning for a specific problem, where a group of work orders for one product must be produced from the same batch of material. The presented problem is motivated by the steel-processing industry, where raw materials defined in a purchase order must be cut in order to satisfy the needs of the planned work order while also minimizing waste (leftover) and tardiness, if applicable. The specific requirements of the problem (i.e., restrictions of which work orders can be produced from a particular group of raw materials) does not fit the regular p... [more]
88. LAPSE:2021.0237
The Effect of Amending Soil with Waste Elemental Sulfur on the Availability of Selected Macroelements and Heavy Metals
April 27, 2021 (v1)
Subject: Food & Agricultural Processes
Keywords: acidification, heavy metals, macroelements, pH, sulfur pulp
Elemental sulfur of waste origin may be a valuable sulfur source for plants. However, assessing the suitability of environmental use of a waste material should confirm there is no harmful effect of the material on soil environment. The purpose of the incubation experiment was to assess the availability of selected elements (P, K, Ca, Mg, Fe, Mn, Zn, Cu, Cr, Ni, Pb, Cd) in soils supplemented with waste elemental sulfur. The research was conducted on two soils: light and heavy, and with three sulfur doses applied to each soil. Available forms of elements in the soils were extracted 60 days after the waste introduction, with three reagents: 0.01 mol L−1 CaCl2, Mehlich 3 and 1 mol L−1 HCl. Additionally, to determine the impact of the introduced sulfur on soil acidification, soil pH was periodically checked during the experiment. The sulfur addition intensified acidification of the light soil, and, to a lesser extent, of the heavy soil. The acidifying effect was stronger when the sulfur dos... [more]
89. LAPSE:2021.0236
The Challenges of a Biodiesel Implementation Program in Malaysia
April 27, 2021 (v1)
Subject: Energy Policy
Keywords: biodiesel implementation, oleo chemical, palm oil
The palm biodiesel industry is facing many challenges implementing biodiesel program in Malaysia. This paper addresses the importance of the B10 blend (10% biodiesel, 90% petroleum diesel), global challenges of palm oil import and export, and protective measures for continuous positive growth of the palm oil sector. Palm oil is the backbone of Malaysia’s economy, covering more than 5% of its gross domestic product (GDP). The key steps taken by the Malaysian government for the successful implementation of the B10 program are discussed in this review study. Till now, B5 and B7 biodiesel programs have been successfully implemented in Malaysia. The B10 biodiesel program is attractive because of the developed local palm oil sector. The B10 biodiesel program will increase the use of renewable energy sources, and is expected to increase the productivity of palm oil and biodiesel implementation in the country. Despite successful B5 and B7 programs, Malaysia is facing challenges for the impleme... [more]
90. LAPSE:2021.0235
Dynamic Modeling and Control of a Coupled Reforming/Combustor System for the Production of H2 via Hydrocarbon-Based Fuels
April 27, 2021 (v1)
Subject: Process Control
Keywords: C1–C4 feedstock, distributed control system, Dynamic Modelling, hydrogen production, PID control, Steam Reforming
The present work aims to provide insights into the dynamic operation of a coupled reformer/combustion unit that can utilize a variety of saturated hydrocarbons (HCs) with 1−4 C atoms towards H2 production (along with CO2). Within this concept, a preselected HC-based feedstock enters a steam reforming reactor for the production of H2 via a series of catalytic reactions, whereas a sequential postprocessing unit (water gas shift reactor) is then utilized to increase H2 purity and minimize CO. The core unit of the overall system is the combustor that is coupled with the reformer reactor and continuously provides heat (a) for sustaining the prevailing endothermic reforming reactions and (b) for the process feed streams. The dynamic model as it is initially developed, consists of ordinary differential equations that capture the main physicochemical phenomena taking place at each subsystem (energy and mass balances) and is compared against available thermodynamic data (temperature and concent... [more]
91. LAPSE:2021.0234
Biocarbon Derived from Opuntia ficus indica for p-Nitrophenol Retention
April 27, 2021 (v1)
Subject: Food & Agricultural Processes
Keywords: activated carbon, Adsorption, Opuntia ficus indica, p-nitrophenol, porous carbon
Activated carbon obtained from Opuntia ficus indica by sodium hydroxide activation was employed for the adsorption of p-nitrophenol from water. The activated carbons obtained were characterized by Fourier transforms infrared spectroscopy, sorption of nitrogen, scanning electron microscopy, and Boehm titration. Effects of pH, contact time, amount of adsorbent, and temperature on the adsorption of p-nitrophenol were studied. Adsorption isotherms were analyzed using Freundlich, Langmuir, Temkin, and Dubinin-Radushkevich models, and the thermodynamic parameters have been determined. The adsorption of p-nitrophenol was spontaneous, exothermic, and propitious at 15 °C and adopted the pseudo-second order model, and the most credible isotherm was Langmuir’s one. The activated carbon used in this work has good p-nitrophenol adsorption characteristics, and the study of the desorption and reuse of this carbon shows that it retains a removal rate greater than 94% after five cycles of adsorption-de... [more]
92. LAPSE:2021.0233
Study on the Transient Characteristics of the Centrifugal Pump during the Startup Period with Assisted Valve
April 27, 2021 (v1)
Subject: Process Operations
Keywords: centrifugal pump, numerical simulation, startup period, transient characteristics
The startup period, one of several transient operations in a centrifugal pump, takes note of some problems with these devices. Sometimes a transient high pressure and high flow rate over a very short period of time are required at the startup process. The pump’s dynamic response is delayed because of the rotational inertia of the pump and motor. Our research focuses on how to get a large flow in a short time when the pump cannot meet the requirements alone without a large power driver. To achieve a strong response in the startup process, a ball valve is installed downstream of the pump. The pump’s transient behavior during such transient operations is important and requires investigation. In this study, the external transient hydrodynamic performance and the internal flow of the pump during the transient startup period are studied by experiments and simulations. In order to find an appropriate matching method, different experiments were designed. The content and results of this paper a... [more]
93. LAPSE:2021.0232
Investigation on Vortex Characteristics of a Multi-Blade Centrifugal Fan near Volute Outlet Region
April 27, 2021 (v1)
Subject: Other
Keywords: backflow, centrifugal multi-blade fan, volute outlet, vortex
The origins and effects of the complex vortex structure near the volute outlet of a multi-blade centrifugal fan are investigated in this paper. Due to the wide blade and short blade channel, the airflow maintains a large radial velocity during the blade channel. This continuous radial partial velocity causes vortices to be generated at the region of volute outlet. Then, the secondary flow close to the impeller generate from the center to the sides in volute. It is obtained that the streamlines are divided into two parts (backflow and outflow) at volute outlet. Although the vortices near volute outlet region are complex, the main features of flow behavior caused by the vortex are understandable.
94. LAPSE:2021.0231
Latest Developments in Membrane (Bio)Reactors
April 27, 2021 (v1)
Subject: Process Design
Keywords: bioreactors, membrane reactors, Membranes
The integration of membranes inside a catalytic reactor is an intensification strategy to combine separation and reaction steps in one single physical unit. In this case, a selective removal or addition of a reactant or product will occur, which can circumvent thermodynamic equilibrium and drive the system performance towards a higher product selectivity. In the case of an inorganic membrane reactor, a membrane separation is coupled with a reaction system (e.g., steam reforming, autothermal reforming, etc.), while in a membrane bioreactor a biological treatment is combined with a separation through the membranes. The objective of this article is to review the latest developments in membrane reactors in both inorganic and membrane bioreactors, followed by a report on new trends, applications, and future perspectives.
95. LAPSE:2021.0230
Weathered Sand of Basalt as a Potential Nickel Adsorbent
April 27, 2021 (v1)
Subject: Materials
Keywords: adsorbent, adsorption isotherms, adsorption kinetics, nickel, weathered sand of basalt
The natural mineral, weathered sand of basalt (WSB), was utilized to investigate whether nickel can be removed. X-ray diffraction (XRD) and scanning electron microscopy (SEM) analysis were performed to characterize WSB. The effects of various conditions, i.e., contact time, pH, WSB dosage, particle size of WSB, and temperature were analyzed. The experimental data were analyzed by two widely used equations, i.e., Langmuir and Freundlich isotherms. The results obtained revealed that the WSB adsorption process was more consistent with the Langmuir model than the Freundlich equation. The kinetics data fitted well into the pseudo-second-order model. The findings of the present study indicate that WSB could be used for removing nickel from aqueous solution. Moreover, its concentration can be reduced from 1.0 mg/L to ND (not detected, below the device limit <0.01 μg/L) under the optimal condition. Therefore, WSB is considered to be usable as one of the adsorbents for nickel removal in wate... [more]
96. LAPSE:2021.0229
Behavior of Cd during Coal Combustion: An Overview
April 27, 2021 (v1)
Subject: Reaction Engineering
Keywords: cadmium, chlorine, coal combustion, emissions, retention, volatility, wastes
Due to the unfavorable combination of its toxicity and high volatility, Cd is contained in most lists of potentially hazardous air pollutants with the greatest environmental and human-health concerns. The review paper evaluates the behavior of Cd during combustion (incineration) processes and its redistribution among condensed fractions (bottom ash/slag, fly ash) and volatilized fractions (that passes through most particulate control devices). The paper addresses all important effects of Cd interactions, such as presence of organic or inorganic chlorides, moisture levels, S, P and Na concentrations, flue gas composition etc. Possibilities of using various adsorbents (either within in-furnace regime or applied in post-combustion zone) are evaluated as well. Special attention is paid to mitigating its emissions factors; decreasing Cd volatility and facilitating Cd retention are discussed with the view of various combustion (incineration) conditions and the feed fuel composition.
97. LAPSE:2021.0228
The Hydrodynamics and Mixing Performance in a Moving Baffle Oscillatory Baffled Reactor through Computational Fluid Dynamics (CFD)
April 27, 2021 (v1)
Subject: Modelling and Simulations
Keywords: Computational Fluid Dynamics, dynamic mesh, hydrodynamics, mixing indices, OBR
Oscillatory baffled reactors (OBRs) have attracted much attention from researchers and industries alike due to their proven advantages in mixing, scale-up, and cost-effectiveness over conventional stirred tank reactors (STRs). This study quantitatively investigated how different mixing indices describe the mixing performance of a moving baffle OBR using computational fluid dynamics (CFD). In addition, the hydrodynamic behavior of the reactor was studied, considering parameters such as the Q-criterion, shear strain rate, and velocity vector. A modification of the Q-criterion showed advantages over the original Q-criterion in determination of the vortices’ locations. The dynamic mesh tool was utilized to simulate the moving baffles through ANSYS/Fluent. The mixing indices studied were the velocity ratio, turbulent length scale, turbulent time scale, mixing time, and axial dispersion coefficient. We found that the oscillation amplitude had the most significant impact on these indices. In... [more]
98. LAPSE:2021.0227
Decision-Making of Port Enterprise Safety Investment Based on System Dynamics
April 27, 2021 (v1)
Subject: Planning & Scheduling
Keywords: decision-making, port enterprises, safety investment, SD
Safety is the premise of efficiency and effectiveness in the port operation. Safety investment is becoming a vital part of port operation in current era in order to overcome different types of hazards the port operation exposed to. This paper aims to improve the safety level of port operation through analyzing its influencing factors and exploring the interactions between the safety investment and system risk level. By analyzing the key factors affecting the port operation and their mutual relationship within a man−machine−environment−management system, a decision-making model of safety investment in port enterprise was established by system dynamics (SD). An illustration example and a sensitivity analysis were carried out to justify and validate the proposed model. The results show that increasing the total safety investment of port enterprises, improving the safety management investment on personnel, and strengthening the implementation effect of investment can improve the degree of... [more]
99. LAPSE:2021.0226
Modeling of Biofilm Growth on Fine Spherical Particles with the Use of Cellular Automata: The Influence of Cell Death and Lysis on the Biofilm Structure
April 27, 2021 (v1)
Subject: Modelling and Simulations
Keywords: biofilm structure, double-substrate growth kinetics, dynamic simulation
The paper concerns the modeling of heterogeneous biofilm growth on fine spherical particles of such biofilm forms as, e.g., fluidized-bed bioreactors. Three discrete mathematical models based on cellular automata theory were proposed. The double-substrate kinetics of biomass growth, biomass displacement, internal and external mass transfer resistances, death and lysis of microbiological cells and biofilm detachment were taken into account. It was shown that there are no significant qualitative and quantitative differences between biofilm growth on flat and spherical particles of different radii. Computer simulations were compared with experimental observations. Qualitative and quantitative agreement areachieved if both cell death and lysis aretaken into consideration and a proper algorithm of biomass displacement is used. The value of the bacteria lysis rate coefficient was estimated.
100. LAPSE:2021.0225
Mutational Analysis of the Binding of Alternative Substrates and Inhibitors to the Active Site of Human Glutathione Transferase P1−1
April 27, 2021 (v1)
Subject: Biosystems
Keywords: alternative thiol substrates, Glutathione transferase P1–1, inhibitor binding energy, Telcyta, Telintra
Glutathione transferases (GSTs) are enzymes that play a critical role in cellular detoxication by catalyzing the nucleophilic attack of glutathione on the electrophilic center of a number of xenobiotic compounds, including many therapeutic drugs. Mutations of amino acid residues in the glutathione-binding site of human glutathione transferase P1−1, namely W39C, K45A, Q52A, Q52K, and Q52E, have been engineered. The recombinant mutant proteins were expressed in Escherichia coli, but only mutants K45A, Q52A, and Q52K showed measurable activity. Steady-state kinetics comparing glutathione with the alternative thiol substrate γ-glutamylcysteine demonstrated the importance of the glycine residue in glutathione for high catalytic efficiency. Inhibition experiments with a set of glutathione analogs structurally related to the therapeutic drugs Telintra and Telcyta enabled determination of binding energies that were contributed by different substituents. The effects of substituting amino acid s... [more]