Endosulfan lactone is a metabolite obtained from the biological oxidation of the insecticide endosulfan by action of the microorganisms present in the soil. This metabolite is more toxic and persistent than the parent compound. Therefore, it is extremely important to be able to determine the presence of this metabolite in the soil. However, accessible methods for extraction of endosulfan lactone in soil were not found in published literature. For this reason, the aim of this study was to evaluate two conventional methods of liquid−solid extraction for the determination of endosulfan lactone in solid substrate using two solvents (ethyl acetate and acetonitrile) and HPLC UV-VIS. The acetonitrile and rotary agitation extraction method was the one with the highest efficiency (97%), optimized using a factorial 32 response surface design, and validated in terms of linearity and precision. The linearity shown was r > 0.999 in a wide spike level (0.15−100 mg kg−1), with the detection limit (DL... [more]

In this work, the possibility of limiting energy consumption in the manufacturing process of bioethanol to obtain biofuel was analysed. For this purpose, a control algorithm has been optimised while retaining the good quality of the control signals. New in this study is the correlation of the control algorithm not only with the signal’s quality, but also with the energy consumption in such an energy-intensive process as rectification. The rectification process in a periodic production system has been researched. The process was modelled on a test station with the distillation mixture capacity of 25 dm3. For the optimization, the following control algorithms have been applied: relay, PID and PID after modification to I-PD. The simulation was carried out on a transfer function model of the plant that has been verified on a real object, a rectification column. The simulations of energy consumption and control signal’s quality have been carried out in the Matlab®-Simulink environment after... [more]

Proprotein Convertase Subtilisin Kexin type 9 (PCSK9), comprises 12 exons, encoded for an enzyme which plays a critical role in the regulation of circulating low density lipoprotein. The gain-of-function (GOF) mutations aggravate the degradation of LDL receptors, resulting in familial hypercholesterolemia (FH), while loss-of-function (LOF) mutations lead to higher levels of the LDL receptors, lower the levels of LDL cholesterol, and preventing from cardiovascular diseases. It is noted that, previous publications related to the mutations of PCSK9 were not always unification. Therefore, this study aims to present the spectrum and distribution of PCSK9 gene mutations by a meta-analysis. A systematic literature analysis was conducted based on previous studies published by using different keywords. The weighted average frequency of PCSK9 mutation was calculated and accessed by MedCalc®. A total of 32 cohort studies, that included 19,725 familial hypercholesterolemia blood samples, were enro... [more]

Reclamation and reuse of wastewater are increasingly viewed as a pragmatic tool for water conservation. Greywater, which includes water from baths, washing machines, dishwashers, and kitchen sinks, is a dilute wastewater stream, making it an attractive stream for extraction of non-potable water. However, most previous studies primarily focused on passively aerated biological and physicochemical treatment processes for greywater treatment. Here, we investigated an integrated process of a microbial electrochemical cell (MEC) followed by granular activated carbon (GAC) biofilter for greywater treatment. The integrated system could achieve 99.3% removal of total chemical oxygen demand (TCOD) and 98.7% removal of the anionic surfactants (linear alkylbenzene sulphonates) from synthetic greywater at a total hydraulic residence time (HRT) of 25 h (1 day for MEC and 1 h for GAC biofilter). For one-day HRT, the maximum peak volumetric current density from MEC was 0.65 A/m3, which was comparable... [more]

A new optical chemical sensor was fabricated based on incorporation of 2,2-furildioxime as a sensitive reagent into the nanopore of a transparent glasslike material through the sol-gel method which was suitable for determination of Ni2+ ions in aqueous solutions. The prepared sensors were composed of tetraethoxysilane (TEOS), 2,2-furildioxime, methanol, hydrochloric acid and Triton X-100. The sensors were constructed by dip coating onto glass substrates. The optimum response of the sensor toward Ni2+ ions was reached at pH 8.5 and the contact time for the formation of the complex at 10 min. The linear concentration of the calibration curve was in the range of 1−5 mg L−1 with a detection limit of 0.111 mg L−1, and quantification limit of 0.337 mg L−1. In addition, the relative standard deviation (RSD) was less than 5% in determination of Ni2+ with ten slide sensor membranes. The developed sensor was tested on Ni2+ determination in real water samples which was confirmed by the atomic abs... [more]

In the last decade, a few of the early attempts to bring CFD-DEM of fluidized beds beyond the limits of small, lab-scale units to larger scale systems have become popular. The simulation capabilities of the Discrete Element Method in multiphase flow and fluidized beds have largely benefitted by the improvements offered by coarse graining approaches. In fact, the number of real particles that can be simulated increases to the point that pilot-scale and some industrially relevant systems become approachable. Methodologically, coarse graining procedures have been introduced by various groups, resting on different physical backgrounds. The present review collects the most relevant contributions, critically proposing them within a unique, consistent framework for the derivations and nomenclature. Scaling for the contact forces, with the linear and Hertz-based approaches, for the hydrodynamic and cohesive forces is illustrated and discussed. The orders of magnitude computational savings are... [more]

Suspended sludge deammonification technologies are frequently applied for sidestream ammonia removal from dewatering liquors resulting from a thermal hydrolysis anaerobic digestion (THP/AD) process. This study aimed at optimizing the operation, evaluate the performance and stability of a full-scale suspended sludge continuous stirred tank reactor (S-CSTR) with a hydrocyclone for anaerobic ammonia oxidizing bacteria (AMX) biomass separation. The S-CSTR operated at a range of nitrogen loading rates of 0.08−0.39 kg N m−3 d−1 displaying nitrogen removal efficiencies of 75−89%. The hydrocyclone was responsible for retaining 56−83% of the AMX biomass and the washout of ammonia oxidizing bacteria (AOB) and nitrite-oxidizing bacteria (NOB) was two times greater than AMX. The solid retention time (SRT) impacted on NOB washout, that ranged from 0.02−0.07 d−1. Additionally, it was demonstrated that an SRT of 11−13 d was adequate to wash-out NOB. Microbiome analysis revealed a higher AMX abundance... [more]

This paper presents the results of numerical simulations of flow in a periodic channel with the walls covered in the central part by spherical elements that have the same overall surface areas but different radii. Two distributions of the sphere are considered, with the subsequent rows placed one after another or shifted. The computations are performed using the high-order code, whereas the solid elements are modelled with the help of the immersed boundary method. For selected cases, the results are validated by comparison with the solutions obtained using the ANSYS Fluent code on a very dense body-fitted mesh. It was found that the increase in the sphere diameter slows down the flow, which is attributed to the larger blockage of the channel cross-section caused by larger spheres and the occurrence of intense mixing (recirculation) between the spheres. The velocity profiles in the vicinity of the sphere are largely dependent on sphere diameter and rise when it increases. It was found t... [more]

Biochar is generally accepted and increasingly valued in scientific circles as solid products in the thermochemical conversion of biomass, mainly because of its rich carbon content. The purpose of this research is to investigate the impact of biochar from different sources on wheat growth. In particular, this work focused on the effect of different preparation methods and raw material of biochar on the growth of wheat and aim to find a potential soil substitute that can be used for crop cultivation. Two synthetic methods were evaluated: hydrothermal conversion and pyrolysis. The characterization of biochar was determined to explore the impact of its microstructure on wheat growth. The results show that the yield of biochar produced from high-pressure reactor is significantly higher than that obtained by using microwave reactor. For example, the biochar yield obtained through the former is about six times that of the latter when using steamed bread cooked as biomass raw material. In add... [more]

Oftentimes, the employment of entomoremediation to reduce organic wastes encounters ubiquitous shortcomings, i.e., ineffectiveness to valorize recalcitrant organics in wastes. Considering the cost-favorability, a fermentation process can be employed to facilitate the degradation of biopolymers into smaller organics, easing the subsequent entomoremediation process. However, the efficacy of in situ fermentation was found impeded by the black soldier fly larvae (BSFL) in the current study to reduce coconut endosperm waste (CEW). Indeed, by changing into ex situ fermentation, in which the fungal Rhizopus oligosporus was permitted to execute fermentation on CEW prior to the larval feeding, the reduction of CEW was significantly enhanced. In this regard, the waste reduction index of CEW by BSFL was almost doubled as opposed to in situ fermentation, even with the inoculation of merely 0.5 wt % of Rhizopus oligosporus. Moreover, with only 0.02 wt % of fungal inoculation size to execute the ex... [more]

Selected Extended Abstracts from the Systems & Control Division Sessions of the 72nd Canadian Chemical Engineering Conference, October 23-26, 2022, Vancouver, BC

Patients with renal anemia (RA) are usually treated with recombinant human erythropoietin (EPO) because of insufficient renal EPO secretion. The establishment of a good hemoglobin (Hgb) response model is a necessary condition for dose optimization design. The purpose of this paper is to apply physics-informed neural networks (PINN) to build the Hgb response model under EPO treatment. Neural network training is guided by physiological model to avoid overfitting problem. During the training process, the parameters of the physiological model can be estimated simultaneously. To handle differential equations with impulse inputs and time delays, we propose approximate analytical expressions for the pharmacokinetic (PK) model and weighted formulations for the pharmacology (PD) model, respectively. The improved PK/PD model was incorporated into PINN for training. Tests on simulated data show that the proposed method has good performance.

The historical prices of oil, coal, and natural gas in the United States after adjusting for energy content and inflation are computed and provided in a comparative context from 1984 to the present (August 2022). The price history reflects impacts by disruptive local or global events. Although current oil and gas prices are high, when adjusted for inflation, they are still not as high as prices experienced during the early 1980s and late 2000s. However, high global inflation rates compound other factors that are increasing energy prices now, leading to record high prices in absolute terms, and sticker shock to consumers worldwide. The recent impacts of the pandemic, Texas Freeze, and Russian invasion of mainland Ukraine are evident. Although oil and gas generally trend up or down together, they remain decoupled on an energy basis as they have been since 2006.

Environmental concerns and soaring energy prices have brought huge pressure of energy saving and emission reduction to tissue paper mills. Electricity is one of the main energy sources of tissue paper mills. The production characteristics of tissue paper mills make it easy to decrease energy cost by using time-of-use (TOU) electricity tariffs. This study investigates the bi-objective energy-efficiency scheduling of tissue paper mills under time-of-use electricity tariffs, the objectives of which are makespan and energy cost. First, considering the processing energy cost, setup energy cost, and transportation energy cost, an energy cost model of a tissue paper mill under TOU electricity tariffs is established. Second, the energy-efficiency scheduling model under TOU electricity tariffs is built based on the energy cost model. Finally, on the basis of decomposition and teaching−learning optimization, this study proposes a novel multi-objective evolutionary algorithm and further combined... [more]

Emerging evidence highlights the relevance of extracellular vesicles (EVs) in modulating human diseases including but not limited to cancer, inflammation, and neurological disorders. EVs can be found in almost all types of human body fluids, suggesting that their trafficking may allow for their targeting to remote recipient cells. While molecular processes underlying EV biogenesis and secretion are increasingly elucidated, mechanisms governing EV transportation, target finding and binding, as well as uptake into recipient cells remain to be characterized. Understanding the specificity of EV transport and uptake is critical to facilitating the development of EVs as valuable diagnostics and therapeutics. In this mini review, we focus on EV uptake mechanisms and specificities, as well as their implications in human diseases.

Poor lubrication performance of low-sulfur fuel leads to increased wear of diesel engine components. In order to improve the lubrication properties of low-sulfur fuel, we successfully prepared graphene lubricant additives by dielectric barrier discharge plasma-assisted ball milling. The tribological properties of graphene lubricant additives in two types of 0# diesel oils with different sulfur content were evaluated by high-frequency reciprocating rig (HFRR). The results indicated that the expanded graphite was exfoliated and refined into graphene sheets with nine layers by the synergistic effect of the heat explosive effect of the discharge plasma, the impact of mechanical milling function, and the cavitation effect of 0# diesel oil. The organic functional groups of 0# diesel oil were successfully grafted on the surface of graphene sheets. The addition of 0.03 wt % graphene resulted in 20% reduction in the friction coefficient (COF) and 28% reduction in wear scar diameter (WSD) compar... [more]

Classical enzyme kinetic theories are summarized and linked with modern discoveries here. The sequential catalytic events along time axis by enzyme are analyzed at the molecular level, and by using master equations, this writing tries to connect the microscopic molecular behavior of enzyme to kinetic data (like velocity and catalytic coefficient k) obtained in experiment: 1/k = t equals to the sum of the times taken by the constituent individual steps. The relationships between catalytic coefficient k, catalytic rate or velocity, the amount of time taken by each step and physical or biochemical conditions of the system are discussed, and the perspective and hypothetic equations proposed here regarding diffusion, conformational change, chemical conversion, product release steps and the whole catalytic cycle provide an interpretation of previous experimental observations and can be testified by future experiments.

Process measurements are contaminated by random and/or gross measuring errors, which degenerates performances of data-based strategies for enhancing process performances, such as online optimization and advanced control. Many approaches have been proposed to reduce the influence of measuring errors, among which expectation maximization (EM) is a novel and parameter-free one proposed recently. In this study, we studied the EM approach in detail and argued that the original EM approach is not feasible to rectify measurements contaminated by persistent biases, which is a pitfall of the original EM approach. So, we propose a modified EM approach here to circumvent this pitfall by fixing the standard deviation of random error mode. The modified EM approach was evaluated by several benchmark cases of process data rectification from literatures. The results show advantages of the proposed approach to the original EM in solving efficiency and performance of data rectification.

In the search for improvement in the properties of gadolinium-based contrast agents, cyclodextrins (CDs) are interesting hydrophilic scaffolds with high molecular weight. The impact of the hydrophilicity of these systems on the MRI efficacy has been studied using five β-CDs substituted with DOTA or TTHA ligands which, respectively, allow for one (q = 1) or no water molecule (q = 0) in the inner coordination sphere of the Gd3+ ion. Original synthetic pathways were developed to immobilize the ligands at C-6 position of various hydroxylated and permethylated β-CDs via an amide bond. To describe the influence of alcohol and ether oxide functions of the CD macrocycle on the relaxation properties of the Gd3+ complexes, 1H Nuclear Magnetic Relaxation Dispersion (NMRD) profiles, and 17O transverse relaxation rates have been measured at various temperatures. The differences observed between the hydroxylated and permethylated β-CDs bearing non-hydrated GdTTHA complexes can be rationalized by a s... [more]

In this work, a study was carried out to compare the filtering and hydrodynamic properties of granular filters with solid spherical granules and spherical granules with modifications in the form of micropores. We used the discrete element method (DEM) to construct the geometry of the filters. Models of granular filters with spherical granules with diameters of 3, 4, and 5 mm, and with porosity values of 0.439, 0.466, and 0.477, respectively, were created. The results of the numerical simulation are in good agreement with the experimental data of other authors. We created models of granular filters containing micropores with different porosity values (0.158−0.366) in order to study the micropores’ effect on the aerosol motion. The study showed that micropores contribute to a decrease in hydrodynamic resistance and an increase in particle deposition efficiency. There is also a maximum limiting value of the granule microporosity for a given aerosol particle diameter when a further increas... [more]

Tableting by direct compression (DC) is one of the simplest and most cost-effective drug manufacturing approaches. However, most active pharmaceutical ingredients (APIs) and excipients lack the compression and flow properties required to meet the needs of high-speed industrial tablet presses. Therefore, the majority of DC APIs and excipients are modified via processing/co-processing particle engineering techniques to boost their properties. Spray drying is one of the most commonly employed techniques to prepare DC grades of APIs and excipients with prominent advantages. This review aims to present an overview of the commercially marketed and investigationally-prepared DC APIs and excipients produced by spray drying.

Discharge water from fish farms is a clean, renewable, and abundant energy source that has been used to obtain renewable energy via small hydropower plants. Small hydropower plants may be installed at offshore fish farms where suitable water is obtained throughout the year. It is necessary to meet the challenges of developing small hydropower systems, including sustainability and turbine efficiency. The main objective of this study was to investigate the possibility of constructing a small hydropower plant and develop 100 kW class propeller-type turbines in a fish farm with a permanent magnet synchronous generator (PMSG). The turbine was optimized using a computer simulation, and an experiment was conducted to obtain performance data. Simulation results were then validated with experimental results. Results revealed that streamlining the designed shape of the guide vane reduced the flow separation and improved the efficiency of the turbine. Optimizing the shape of the runner vane decre... [more]

Proton transfer reactions are one of the most fundamental processes in biochemistry. We present a simplistic approach for estimating proton transfer probabilities in a membrane protein, cytochrome c oxidase. We combine short molecular dynamics simulations at discrete protonation states with a Monte Carlo approach to exchange between those states. Requesting for a proton transfer the existence of a hydrogen-bonded connection between the two source and target residues of the exchange, restricts the acceptance of transfers to only those in which a proton-relay is possible. Together with an analysis of the hydrogen-bonded connectivity in one of the proton-conducting channels of cytochrome c oxidase, this approach gives insight into the protonation dynamics of the hydrogen-bonded networks. The connectivity and directionality of the networks are coupled to the conformation of an important protein residue in the channel, K362, rendering proton transfer in the entire channel feasible in only o... [more]

Clinical trials of single drugs intended to slow the progression of Alzheimer’s Disease (AD) have been notoriously unsuccessful. Combinations of repurposed drugs could provide effective treatments for AD. The challenge is to identify potentially effective combinations. To meet this challenge, machine learning (ML) was used to extract the knowledge from two leading AD databases, and then “the machine” predicted which combinations of the drugs in common between the two databases would be the most effective as treatments for AD. Specifically, three-layered artificial neural networks (ANNs) with compound, gated units in their internal layer were trained using ML to predict the cognitive scores of participants, separately in either database, given other data fields including age, demographic variables, comorbidities, and drugs taken. The predictions from the separately trained ANNs were statistically highly significantly correlated. The best drug combinations, jointly determined from both s... [more]

In this work, highly crystalline CdS nanorods (NRs) were successfully synthesized by a facile, one-step solvothermal method. The as-prepared CdS NRs powder was characterized by XRD, FESEM, Raman, PL, XPS, BET, and UV-visible techniques to evaluate the structural, morphological, and optical properties. The photocatalytic performance of the as-synthesized CdS NRs was investigated for the photodegradation of RhB dye under visible light irradiations. It has been found that CdS NRs show maximum RhB degradation efficiency of 88.4% in 120 min. The excellent photodegradation ability of the CdS NRs can be attributed to their rod-like structure together with their large surface area and surface state. The kinetic study indicated that the photodegradation process was best described by the pseudo-first-order kinetic model. The possible mechanism for the photodegradation of RhB dye over CdS NRs was proposed in this paper.