Advanced descriptors for long-range noncovalent interactions between SARS-CoV-2 spikes and polymer surfaces.

The recent pandemic triggered numerous societal efforts aimed to control and limit the spread of SARS-CoV-2. One of these aspects is related on how the virion interacts with inanimate surfaces, which might be the source of secondary infection. Although recent works address the adsorption of the spike protein on surfaces, there is no information concerning the long-range interactions between spike and surfaces, experimented by the virion when is dispersed in the droplet before its possible adsorption. Some descriptors, namely the interaction potentials per single protein and global potentials, were calculated in this work. These descriptors, evaluated for the closed and open states of the spike protein, are correlated to the long-range noncovalent interactions between the SARS-CoV-2 spikes and polymeric surfaces. They are associated with the surface's affinity towards SARS-CoV-2 dispersed in respiratory droplets or water solutions. Molecular-Dynamics simulations were performed to model the surface of three synthetic polymeric materials: Polypropylene (PP), Polyethylene Terephthalate (PET), and Polylactic Acid (PLA), used in Molecular Mechanics simulations to define the above potentials. The descriptors show a similar trend for the three surfaces, highlighting a greater affinity towards the spikes of PP and PLA over PET. For closed and open structures, the long-range interactions with the surfaces decreased in the following order PP âˆ¼ PLA > PET and PLA > PP > PET, respectively. Thus, PLA and PP interact with the virion quite distant from these surfaces to a greater extent concerning the PET surface, however, the differences among the considered surfaces were small. The global potentials show that the long-range interactions are weak compared to classic binding energy of covalent or ionic bonds. The proposed descriptors are useful most of all for a comparative study aimed at quickly preliminary screening of polymeric surfaces. The obtained results should be validated by more accurate method which will be subject of a subsequent work.

Role of testosterone in SARS-CoV-2 infection: A key pathogenic factor and a biomarker for severe pneumonia.

OBJECTIVES: To investigate the association between sex hormones and the severity of coronavirus disease 2019 (COVID-19). Furthermore, associations between sex hormones and systemic inflammation markers, viral shedding and length of hospital stay were studied. DESIGN AND METHODS: This case-control study included a total of 48 male patients with COVID-19 admitted to an Italian reference hospital. The 24 cases were patients with PaO2/FiO2 <250 mmHg and who needed ventilatory support during hospitalization (severe COVID-19). The 24 controls were selected in a 1:1 ratio, matched by age, from patients who maintained PaO2/FiO2 >300 mmHg at all times and who may have required low-flow oxygen supplementation during hospitalization (mild COVID-19). For each group, sex hormones were evaluated on hospital admission. RESULTS: Patients with severe COVID-19 (cases) had a significantly lower testosterone level compared with patients with mild COVID-19 (controls). Median total testosterone (TT) was 1.4 ng/mL in cases and 3.5 ng/mL in controls (P = 0.005); median bioavailable testosterone (BioT) was 0.49 and 1.21 in cases and controls, respectively (P = 0.008); and median calculated free testosterone (cFT) was 0.029 ng/mL and 0.058 ng/mL in cases and controls, respectively (P = 0.015). Low TT, low cFT and low BioT were correlated with hyperinflammatory syndrome (P = 0.018, P = 0.048 and P = 0.020, respectively) and associated with longer length of hospital stay (P = 0.052, P = 0.041 and P = 0.023, respectively). No association was found between sex hormone level and duration of viral shedding, or between sex hormone level and mortality rate. CONCLUSIONS: A low level of testosterone was found to be a marker of clinical severity of COVID-19.

Transmission of SARS-Cov-2 and other enveloped viruses to the environment through protective gear: a brief review.

Over the past two decades, several deadly viral epidemics have emerged, which have placed humanity in danger. Previous investigations have suggested that viral diseases can spread through contaminants or contaminated surfaces. The transmission of viruses via polluted surfaces relies upon their capacity to maintain their infectivity while they are in the environment. Here, a range of materials that are widely used to manufacture personal protective equipment (PPE) are summarized, as these offer effective disinfection solutions and are the environmental variables that influence virus survival. Infection modes and prevention as well as disinfection and PPE disposal strategies are discussed. A coronavirus-like enveloped virus can live in the environment after being discharged from a host organism until it infects another healthy individual. Transmission of enveloped viruses such as SARS-CoV-2 can occur even without direct contact, although detailed knowledge of airborne routes and other indirect transmission paths is still lacking. Ground transmission of viruses is also possible via wastewater discharges. While enveloped viruses can contaminate potable water and wastewater through human excretions such as feces and droplets, careless PPE disposal can also lead to their transmission into our environment. This paper also highlights the possibility that viruses can be transmitted into the environment from PPE kits used by healthcare and emergency service personnel. A simulation-based approach was developed to understand the transport mechanism for coronavirus and similar enveloped viruses in the environment through porous media, and preliminary results from this model are presented here. Those results indicate that viruses can move through porous soil and eventually contaminate groundwater. This paper therefore underlines the importance of proper PPE disposal by healthcare workers in the Mediterranean region and around the world.

Extraction of lignin, structural characterization and bioconversion of sugarcane bagasse after ionic liquid assisted pretreatment.

The primary focus of this work was to recover lignin and investigate the structural changes in sugarcane bagasse after pretreatment with ionic liquid 1-ethyl-3-methylimidazolium acetate ([EMIM]oAc). 90% lignin recovery was achieved while bagasse was treated with [EMIM]oAc at 140 °C, 120 min reaction time and 1:20 bagasse to the ionic liquid ratio (w/w). The impact of ionic liquid pretreatment on bagasse was confirmed by qualitative analysis of untreated and pretreated bagasse. Scanning electron microscopy analysis exhibited the porous and irregular structure of bagasse after pretreatment. X-ray powder diffraction analysis verified a decrease in crystallinity as a result of the pretreatment process by showing a 14.7% reduction of Crystallinity index after ionic liquid treatment. The efficacy of [EMIM]oAc on bagasse treatment was also examined by enzymatic hydrolysis which manifested an increase in reducing sugar yield as a result of pretreatment. Maximum yield of 54.3% reducing sugar was obtained after 72 h enzymatic hydrolysis of pretreated bagasse. Recovered lignin was analyzed qualitatively. 1D NMR spectroscopy of lignin revealed the presence of essential functional groups whereas 2D NMR spectroscopy showed the dominance of etherified syringyl unit. Further ionic liquid recovery and reuse were substantiated by Gel permeation chromatography analysis of lignin. Weight average molecular weight (Mw) of lignin extracted by fresh [EMIM]oAc was obtained as 1769 g/mol (in the previous study) while lignin recovered by recycled [EMIM]oAc showed almost equal Mw 1765 g/mol in this study. Thus, the current investigation corroborated satisfactory performance of [EMIM]oAc in lignocellulose processing which further enhanced enzymatic hydrolysis in the subsequent step.

A review of polymeric membranes and processes for potable water reuse.

Conventional water resources in many regions are insufficient to meet the water needs of growing populations, thus reuse is gaining acceptance as a method of water supply augmentation. Recent advancements in membrane technology have allowed for the reclamation of municipal wastewater for the production of drinking water, i.e., potable reuse. Although public perception can be a challenge, potable reuse is often the least energy-intensive method of providing additional drinking water to water stressed regions. A variety of membranes have been developed that can remove water contaminants ranging from particles and pathogens to dissolved organic compounds and salts. Typically, potable reuse treatment plants use polymeric membranes for microfiltration or ultrafiltration in conjunction with reverse osmosis and, in some cases, nanofiltration. Membrane properties, including pore size, wettability, surface charge, roughness, thermal resistance, chemical stability, permeability, thickness and mechanical strength, vary between membranes and applications. Advancements in membrane technology including new membrane materials, coatings, and manufacturing methods, as well as emerging membrane processes such as membrane bioreactors, electrodialysis, and forward osmosis have been developed to improve selectivity, energy consumption, fouling resistance, and/or capital cost. The purpose of this review is to provide a comprehensive summary of the role of polymeric membranes in the treatment of wastewater to potable water quality and highlight recent advancements in separation processes. Beyond membranes themselves, this review covers the background and history of potable reuse, and commonly used potable reuse process chains, pretreatment steps, and advanced oxidation processes. Key trends in membrane technology include novel configurations, materials and fouling prevention techniques. Challenges still facing membrane-based potable reuse applications, including chemical and biological contaminant removal, membrane fouling, and public perception, are highlighted as areas in need of further research and development.

Immobilized biocatalytic process development and potential application in membrane separation: a review.

Biocatalytic membrane reactors have been widely used in different industries including food, fine chemicals, biological, biomedical, pharmaceuticals, environmental treatment and so on. This article gives an overview of the different immobilized enzymatic processes and their advantages over the conventional chemical catalysts. The application of a membrane bioreactor (MBR) reduces the energy consumption, and system size, in line with process intensification. The performances of MBR are considerably influenced by substrate concentration, immobilized matrix material, types of immobilization and the type of reactor. Advantages of a membrane associated bioreactor over a free-enzyme biochemical reaction, and a packed bed reactor are, large surface area of immobilization matrix, reuse of enzymes, better product recovery along with heterogeneous reactions, and continuous operation of the reactor. The present research work highlights immobilization techniques, reactor setup, enzyme stability under immobilized conditions, the hydrodynamics of MBR, and its application, particularly, in the field of sugar, starch, drinks, milk, pharmaceutical industries and energy generation.

Studies on adsorption, reaction mechanisms and kinetics for photocatalytic degradation of CHD, a pharmaceutical waste.

The photocatalytic degradation of chlorhexidine digluconate (CHD), a disinfectant and topical antiseptic and adsorption of CHD catalyst surface in dark condition has been studied. Moreover, the value of kinetic parameters has been measured and the effect of adsorption on photocatalysis has been investigated here. Substantial removal was observed during the photocatalysis process, whereas 40% removal was possible through the adsorption route on TiO2 surface. The parametric variation has shown that alkaline pH, ambient temperature, low initial substrate concentration, high TiO2 loading were favourable, though at a certain concentration of TiO2 loading, photocatalytic degradation efficiency was found to be maximum. The adsorption study has shown good confirmation with Langmuir isotherm and during the reaction at initial stage, it followed pseudo-first-order reaction, after that Langmuir Hinshelwood model was found to be appropriate in describing the system. The present study also confirmed that there is a significant effect of adsorption on photocatalytic degradation. The possible mechanism for adsorption and photocatalysis has been shown here and process controlling step has been identified. The influences of pH and temperature have been explained with the help of surface charge distribution of reacting particles and thermodynamic point of view respectively.

Remediation of textile effluents by membrane based treatment techniques: a state of the art review.

The textile industries hold an important position in the global industrial arena because of their undeniable contributions to basic human needs satisfaction and to the world economy. These industries are however major consumers of water, dyes and other toxic chemicals. The effluents generated from each processing step comprise substantial quantities of unutilized resources. The effluents if discharged without prior treatment become potential sources of pollution due to their several deleterious effects on the environment. The treatment of heterogeneous textile effluents therefore demands the application of environmentally benign technology with appreciable quality water reclamation potential. These features can be observed in various innovative membrane based techniques. The present review paper thus elucidates the contributions of membrane technology towards textile effluent treatment and unexhausted raw materials recovery. The reuse possibilities of water recovered through membrane based techniques, such as ultrafiltration and nanofiltration in primary dye houses or auxiliary rinse vats have also been explored. Advantages and bottlenecks, such as membrane fouling associated with each of these techniques have also been highlighted. Additionally, several pragmatic models simulating transport mechanism across membranes have been documented. Finally, various accounts dealing with techno-economic evaluation of these membrane based textile wastewater treatment processes have been provided.

Neural and hybrid modeling: an alternative route to efficiently predict the behavior of biotechnological processes aimed at biofuels obtainment.

The present paper was aimed at showing that advanced modeling techniques, based either on artificial neural networks or on hybrid systems, might efficiently predict the behavior of two biotechnological processes designed for the obtainment of second-generation biofuels from waste biomasses. In particular, the enzymatic transesterification of waste-oil glycerides, the key step for the obtainment of biodiesel, and the anaerobic digestion of agroindustry wastes to produce biogas were modeled. It was proved that the proposed modeling approaches provided very accurate predictions of systems behavior. Both neural network and hybrid modeling definitely represented a valid alternative to traditional theoretical models, especially when comprehensive knowledge of the metabolic pathways, of the true kinetic mechanisms, and of the transport phenomena involved in biotechnological processes was difficult to be achieved.

Optimization of ricotta cheese whey (RCW) fermentation by response surface methodology.

A central composite design (CCD) was performed to evaluate the effects of four factors, i.e. temperature (T), pH, agitation rate (K) and initial lactose concentration (L), on ricotta cheese whey batch fermentation and to optimize the process leading to the formation of bio-ethanol. Anaerobic batch fermentation experiments were carried out by using the yeast Kluyveromyces marxianus. After a preliminary experimental analysis, the values of the chosen factors were 32 and 40 degrees C for T, 4 and 6 for pH, 100 and 300 rpm for K, 40 and 80 g L(-1) for L. Response surface methodology (RSM) was used to optimize the fermentation process and an empirical polynomial model was used to fit the experimental data. The best operating conditions resulted to be T=32.35 degrees C, pH 5.41, K=195.56 rpm and L=40 g L(-1) and the model ensured a good fitting of the observed data.

Fructose production by inulinase covalently immobilized on sepabeads in batch and fluidized bed bioreactor.

The present work is an experimental study of the performance of a recently designed immobilized enzyme: inulinase from Aspergillus sp. covalently immobilized on Sepabeads. The aim of the work is to test the new biocatalyst in conditions of industrial interest and to assess the feasibility of the process in a fluidized bed bioreactor (FBBR). The catalyst was first tested in a batch reactor at standard conditions and in various sets of conditions of interest for the process. Once the response of the catalyst to different operating conditions was tested and the operational stability assessed, one of the sets of conditions tested in batch was chosen for tests in FBBR. Prior to reaction tests, preliminary fluidization tests were realized in order to define an operating range of admissible flow rates. As a result, the FBR was run at different feed flow rates in a closed cycle configuration and its performance was compared to that of the batch system. The FBBR proved to be performing and suitable for scale up to large fructose production.

Kinetics of enzymatic trans-esterification of glycerides for biodiesel production.

In this paper, the reaction of enzymatic trans-esterification of glycerides with ethanol in a reaction medium containing hexane at a temperature of 37 degrees C has been studied. The enzyme was Lipase from Mucor miehei, immobilized on ionic exchange resin, aimed at achieving high catalytic specific surface and recovering, regenerating and reusing the biocatalyst. A kinetic analysis has been carried out to identify the reaction path; the rate equation and kinetic parameters have been also calculated. The kinetic model has been validated by comparison between predicted and experimental results. Mass transport resistances estimation was undertaken in order to verify that the kinetics found was intrinsic. Model potentialities in terms of reactors design and optimization are also shown.

The state of the art in the production of fructose from inulin enzymatic hydrolysis.

The present work reviews the main advancements achieved in the last decades in the study of the fructose production process by inulin enzymatic hydrolysis. With the aim of collecting and clarifying the majority of the knowledge in this area, the research on this subject has been divided in three main parts: a) the characteristics of inulin (the process reactant); b) the properties of the enzyme inulinase and its hydrolytic action; c) the advances in the study of the applications of inulinases in bioreactors for fructose production. Many vegetable sources of inulin are reported, including information about their yields in terms of inulin. The properties of inulin that appear relevant for the process are also summarized, with reference to their vegetable origin. The characteristics of the inulinase enzyme that catalyzes inulin hydrolysis, together with the most relevant information for a correct process design and implementation, are described in the paper. An extended collection of data on microorganisms capable of producing inulinase is reported. The following characteristics and properties of inulinase are highlighted: molecular weight, mode of action, activity and stability with respect to changes in temperature and pH, kinetic behavior and effect of inhibitors. The paper describes in detail the main aspects of the enzyme hydrolysis reaction; in particular, how enzyme and reactant properties can affect process performance. The properties of inulinase immobilized on various supports are shown and compared to those of the enzyme in its native state. Finally, a number of applications of free and immobilized inulinases and whole cells in bioreactors are reported, showing the different operating procedures and reactor types adopted for fructose production from inulin on a laboratory scale.