Detecting Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) and Bacteria on Highly Common Contaminated Surfaces at Urban Hospital and Public Areas

The persistence of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) on surfaces in public areas increases a risk of Coronavirus disease 2019 (COVID-19) transmission. Alcohol products have been widely used to eliminate virus contaminants. Long-term microbial exposure to alcohol during pandemic may lead to an alcoholic tolerance emerging. We aimed to detect SARS-CoV-2 and bacteria on highly contaminated surfaces at hospital and public areas in Pathum Thani province during the late of 2021, and to evaluate alcohol susceptibility of sampled bacterial isolates. Fifty pooled swab samples were collected from environmental surfaces. Each sample was divided into two parts to test for SARS-CoV-2 and bacteria, respectively. Molecular assay was used to detect SARS-CoV-2, while bacterial detection was done by traditional culture method. SARS-CoV-2 was detected at 8% (4/50) from hospital restroom doorknobs and faucets, as well as on ATM keypads at the center market. Conversely, 96% (48/50) of bacterial contaminants were detected. Of these, only 25 isolates of medically important bacteria were identified and classified into three groups including Staphylococcus, Enterobacteriaceae and non-fermentative bacteria. All isolates were then performed an alcohol susceptibility test with three different alcohol formulas (70% ethanol, 80% ethanol and 75% isopropanol), Results were compared with standard strains (ATCC) and isolated bacteria obtained from before the COVID-19 pandemic. Isolated bacteria from this study were significantly less susceptible to all types of alcohol tested, and Staphylococcus was the most resistant to destruction. Thus, an effective infection control measure in a high-risk area should be considered and regularly practiced. © 2023 Author (s). This is an open access article distributed under the term of the Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution, and reproduction in any medium or format, as long as you give appropriate credit to the original author (s) and the source.

Investigating the relationship between COVID-19 shutdown and land surface temperature on the Anatolian side of Istanbul using large architectural impermeable surfaces.

Artificial impermeable surfaces are becoming more prevalent, especially in urban areas, as a result of shifting land use and cover, roads, roofs, etc. The modification of land surface temperature (LST) can also be accomplished through artificially impermeable surfaces. Large artificial impermeable surfaces, such as rooftops, parking lots, and other areas of use, can be found in industrial zones, shopping malls, industrial airports, and other locations. For the Anatolian side of Istanbul, 14 Landsat 8 OLI/TIRS imagery images over the years 2016-2022 were investigated. To evaluate how well the study's images could be utilized, correlation and cosine similarity approaches were employed. A total of 12 images may be employed for research LST studies, it was discovered. We looked at closure dates during the COVID-19 epidemic to find out how human migration affected the LST. In addition, the LST value was estimated using the ordinary least squares (OLS) method employing LST and other biophysical indices. A decrease in LST values was seen as a result of the investigation. High levels of similarity and correlation were found between the images used. Results from the Google Mobility Index also provide support to the study. All of these facts provide support to Istanbul's Anatolian side experiencing lower surface temperature values, which consequently affects the city's massive structures.

Recent development in antiviral surfaces: Impact of topography and environmental conditions.

The transmission of viruses is largely dependent on contact with contaminated virus-laden communal surfaces. While frequent surface disinfection and antiviral coating techniques are put forth by researchers as a plan of action to tackle transmission in dire situations like the Covid-19 pandemic caused by SARS-CoV-2 virus, these procedures are often laborious, time-consuming, cost-intensive, and toxic. Hence, surface topography-mediated antiviral surfaces have been gaining more attention in recent times. Although bioinspired hydrophobic antibacterial nanopatterned surfaces mimicking the natural sources is a very prevalent and successful strategy, the antiviral prospect of these surfaces is yet to be explored. Few recent studies have explored the potential of nanopatterned antiviral surfaces. In this review, we highlighted surface properties that have an impact on virus attachment and persistence, particularly focusing and emphasizing on the prospect of the nanotextured surface with enhanced properties to be used as antiviral surface. In addition, recent developments in surface nanopatterning techniques depending on the nano-scaled dimensions have been discussed. The impacts of environments and surface topology on virus inactivation have also been reviewed.

Lack of SARS-CoV-2 in environmental samples collected from September 2020-February 2021 in a university that followed CDC reopening guidance.

This study aimed to provide environmental surveillance data for evaluating the risk of acquiring SARS-CoV-2 in public areas with high foot traffic in a university. Air and surface samples were collected at a university that had the second highest number of COVID-19 cases among public higher education institutions in the U.S. during Fall 2020. A total of 60 samples were collected in 16 sampling events performed during Fall 2020 and Spring 2021. Nearly 9800 students traversed the sites during the study period. SARS-CoV-2 was not detected in any air or surface samples. The university followed CDC guidance, including COVID-19 testing, case investigations, and contact tracing. Students, faculty, and staff were asked to maintain physical distancing and wear face coverings. Although COVID-19 cases were relatively high at the university, the possibility of acquiring SARS-CoV-2 infections at the sites tested was low.

Stability of SARS-CoV-2 on inanimate surfaces: A review.

The stability of SARS-CoV-2 for varying periods on a wide range of inanimate surfaces has raised concerns about surface transmission; however, there is still no evidence to confirm this route. In the present review, three variables affecting virus stability, namely temperature, relative humidity (RH), and initial virus titer, were considered from different experimental studies. The stability of SARS-CoV-2 on the surfaces of six different contact materials, namely plastic, metal, glass, protective equipment, paper, and fabric, and the factors affecting half-life period was systematically reviewed. The results showed that the half-life of SARS-CoV-2 on different contact materials was generally 2-10 h, up to 5 d, and as short as 30 min at 22 °C, whereas the half-life of SARS-CoV-2 on non-porous surfaces was generally 5-9 h d, up to 3 d, and as short as 4 min at 22 â„ƒ. The half-life on porous surfaces was generally 1-5 h, up to 2 d, and as short as 13 min at 22 °C. Therefore, the half-life period of SARS-CoV-2 on non-porous surfaces is longer than that on porous surfaces, and thehalf-life of the virus decreases with increasing temperature, whereas RH produces a stable negative inhibitory effect only in a specific humidity range. Various disinfection precautions can be implemented in daily life depending on the stability of SARS-CoV-2 on different surfaces to interrupt virus transmission, prevent COVID-19 infections, and avoid over-disinfection. Owing to the more stringent control of conditions in laboratory studies and the lack of evidence of transmission through surfaces in the real world, it is difficult to provide strong evidence for the efficiency of transmission of the contaminant from the surface to the human body. Therefore, we suggest that future research should focus on exploring the systematic study of the entire transmission process of the virus, which will provide a theoretical basis for optimizing global outbreak prevention and control measures.

Measuring Total Filtration Efficiency of Surgical and Community Face Masks: Impact of Mask Design Features

Surgical and community face masks are used worldwide to reduce the transmission of respiratory infections in indoor environments. Performance parameters for these loose-fitting devices are mainly focused on material filtering efficiency, while, differently from face respirators, there are no standard methods for measuring the fraction of air leaking at the face seal. This study quantifies the total filtration efficiency (TFE), a parameter based both on filter efficiency and air leakage, of 50 face mask models with the aim of understanding the role of several mask design features on TFE performance. An instrumented head form equipped with sensors for measuring volumetric airflow and differential pressure was used to simulate the air exhalation from the mouth of a person wearing a face mask. A response surface method (RSM) was used to model the TFE experimental data. Results showed that TFE values ranged over a wide interval (from 5% to 73%), with better values at higher flow rates. A significant positive correlation was found between TFE and filter breathability. The presence of a nosepiece (NP) showed to increase the TFE on average from 4% to 6%, according to the flow rate. Significant improvements were associated only to nosepieces incorporating a metallic wire. The RSM model evidenced that the increase in the number of the filter layers and the use of a meltblown layer result in higher TFE only when a nosepiece is in place. Differently, the benefit of the nosepiece is less marked for masks made of highly breathable filters. To improve overall mask performance, the design of loose-fitting face masks should carefully compromise between breathability and filtration efficiency of the filter materials. The addition of a metallic nosepiece helps improving the TFE by limiting the air leaking at the face seal. © 1963-2012 IEEE.

Measurement of Phthalates in Settled Dust in University Dormitories and Its Implications for Exposure Assessment

Six phthalates: dimethyl phthalate (DMP), diethyl phthalate (DEP), di(n-butyl) phthalate (DnBP), butyl benzyl phthalate (BBzP), di(2-ethylhexyl) phthalate (DEHP), and di(n-octyl) phthalate (DOP) in settled dust on different indoor surfaces were measured in 30 university dormitories. A Monte Carlo simulation was used to estimate college students' exposure via inhalation, non-dietary ingestion, and dermal absorption based on measured concentrations. The detection frequencies for targeted phthalates were more than 80% except for DEP (roughly 70%). DEHP was the most prevalent compound in the dust samples, followed by DnBP, DOP, and BBzP. Statistical analysis suggested that phthalate levels were higher in bedside dust than that collected from table surfaces, indicating a nonuniform distribution of dust-phase phthalates in the sleep environment. The simulation showed that the median DMP daily intake was 0.81 μg/kg/day, which was the greatest of the targeted phthalates. For the total exposures to all phthalates, the mean contribution of exposures during the daytime and sleeping time was 54% and 46%, respectively.

Automatic Boot Spray Machine: A Preventive Measure Against Corona Virus

Corona Virus (COVID-19) has already done havoc in the world. More than six hundred million people suffered from this virus and six million people are dead amongst them in the world. In Bangladesh, two million people have tested positive and approximately 30 thousand people are dead. SARS-CoV-2 virus causes this infectious corona disease. When an infected individual sneezes, coughs, speaks, or breathes, the virus is disseminated from their mouth or nose. One can also be infected by touching contaminated surface and spreads more in indoor environment. So, it has taught us the necessity of washing and sanitizing in our daily affairs. Automatic boot spray machine is a very practical and useful instrument to fight against the corona virus. This contact free spray machine helps to sanitize the boot without getting in contact with the surface and ultimately helps to prevent the spread of corona virus. The purpose of this essay is to create a boot sprayer that automatically releases soapy water. At a distance of meters, an obstruction sensor is employed to identify the heat and presence of the boot. A p-n-p transistor is used to operate the machine. This machine works perfectly at a distance of 2-30cm. It also provides good sensitivity percentage. This setup is user convenient and it saves money and power. © 2023 IEEE.

Structure property relationship in two thiazole derivatives: Insights of crystal structure, Hirshfeld surface, DFT, QTAIM, NBO and molecular docking studies

Detailed structural and noncovalent interactions in two thiazole derivatives (N-(4-Bromophenyl)-2-(methylthio)thiazole-5-carboxamide and Ethyl-5-((4-bromophenyl)carbamoyl)thiazole-4-carboxylate) are investigated by single crystal X-ray diffraction study and computational approaches. The structure investigation revealed that various interactions like C-H…O, N-H…O, and N-H…N hydrogen bonds and Br…Br interactions are involved in constructing ring motifs to stabilize the crystal packing. Hirshfeld surface analysis and fingerprint plots were carried out to study the differences and similarities in the relative contribution of noncovalent interactions in both the molecules. The FMOs and other global reactive parameters are analyzed for thiazole derivatives. The strength and nature of weak interactions present in the molecule were characterized by RDG-based NCI and QTAIM analyses. Natural bond orbital (NBO) analysis unravels the importance of non-covalent and hyperconjugative interactions for the stability of the molecules in their solid state. Further, molecular docking of N-(4-Bromophenyl)-2-(methylthio)thiazole-5-carboxamide and Ethyl-5-((4-bromophenyl)carbamoyl)thiazole-4-carboxylate with SARS-Covid-19 have been carried out. © 2023 Taylor & Francis Group, LLC.

Effect of Cholesterol on Biomimetic Membrane Curvature and Coronavirus Fusion Peptide Encapsulation.

Biomimetic cubic phases can be used for protein encapsulation in a variety of applications such as biosensors and drug delivery. Cubic phases with a high concentration of cholesterol and phospholipids were obtained herein. It is shown that the cubic phase structure can be maintained with a higher concentration of biomimetic membrane additives than has been reported previously. Opposing effects on the curvature of the membrane were observed upon the addition of phospholipids and cholesterol. Furthermore, the coronavirus fusion peptide significantly increased the negative curvature of the biomimetic membrane with cholesterol. We show that the viral fusion peptide can undergo structural changes leading to the formation of hydrophobic α-helices that insert into the lipid bilayer. This is of high importance, as a fusion peptide that induces increased negative curvature as shown by the formation of inverse hexagonal phases allows for greater contact area between two membranes, which is required for viral fusion to occur. The cytotoxicity assay showed that the toxicity toward HeLa cells was dramatically decreased when the cholesterol or peptide level in the nanoparticles increased. This suggests that the addition of cholesterol can improve the biocompatibility of the cubic phase nanoparticles, making them safer for use in biomedical applications. As the results, this work improves the potential for the biomedical end-use applications of the nonlamellar lipid nanoparticles and shows the need of systematic formulation studies due to the complex interplay of all components.

Effectiveness of a Self-Decontaminating Coating Containing Usnic Acid in Reducing Environmental Microbial Load in Tertiary-Care Hospitals.

Surfaces have been implicated in the transmission of pathogens in hospitals. This study aimed to assess the effectiveness of an usnic-acid-containing self-decontaminating coating in reducing microbial surface contamination in tertiary-care hospitals. Samples were collected from surfaces 9 days before coating application, and 3, 10, and 21 days after its application (phases 1, 2, 3, and 4, respectively). Samples were tested for bacteria, fungi, and SARS-CoV2. In phase 1, 53/69 (76.8%) samples tested positive for bacteria, 9/69 (13.0%) for fungi, and 10/139 (7.2%) for SARS-CoV-2. In phase 2, 4/69 (5.8%) samples tested positive for bacteria, while 69 and 139 samples were negative for fungi and SARS-CoV-2, respectively. In phase 3, 3/69 (4.3%) samples were positive for bacteria, 1/139 (0.7%) samples tested positive for SARS-CoV-2, while 69 samples were negative for fungi. In phase 4, 1/69 (1.4%) tested positive for bacteria, while no fungus or SARS-CoV-2 were detected. After the coating was applied, the bacterial load was reduced by 87% in phase 2 (RR = 0.132; 95% CI: 0.108-0.162); 99% in phase 3 (RR = 0.006; 95% CI: 0.003-0.015); and 100% in phase 4 (RR = 0.001; 95% CI: 0.000-0.009). These data indicate that the usnic-acid-containing coating was effective in eliminating bacterial, fungal, and SARS-CoV-2 contamination on surfaces in hospitals.Our findings support the benefit ofan usnic-acid-containing coating in reducing the microbial load on healthcare surfaces.

Effect Analysis of Different Environmental Disinfection Methods on Reducing Contamination of Surfaces by the Omicron BA.2.2 Variant of SARS-CoV-2 and the Characteristics of Fomite Contamination in the Fever Clinic in the Out-Broken of Shanghai.

This study aimed to investigate the effect of different environmental disinfection methods on reducing contaminated surfaces (CSs) by the Omicron BA.2.2 variant of SARS-CoV-2 in the fever clinic between March 20 and May 30, 2022, and to analyze the influences and related factors of CSs. This study includes survey data from 389 positive patients (SPPs) and 204 CSs in the fever clinic, including the CS type, disinfection method, length of time spent in the clinic, cycle threshold (CT) value, name, age, weight, mask type, mask-wearing compliance, hand-mouth touch frequency and sex. Associations between study variables and specified outcomes were explored using univariate regression analyses. Mask-wearing compliance had a significant negative correlation with CSs (r = - 0.446, P = 0.037). Among the 389 SPPs, 22 SPPs (CRP, 5.66%) caused CSs in the separate isolation room. A total of 219 SPPs (56.30%) were male. The mean age of SPPs was 4.34 ± 3.92 years old, and the mean CT value was 12.44 ± 5.11. In total, 9952 samples with exposure history were taken, including 204 (2.05%) CSs. Among the CSs, the positive rate of flat surfaces was the highest in public areas (2.52%) and separate isolation rooms (4.75%). Disinfection methods of ultraviolet radiation + chemical irradiation significantly reduced the CSs in both the public area (0% vs. 4.56%) and the separate isolation room (0.76% vs. 2.64%) compared with the chemical method alone (P < 0.05). Compared with ordinary SPPs, CRPs were older (6.04 year vs. 4.23 year), and the male proportion was higher (72.73% vs. 55.31%). In particular, it was found that SPPs contaminated their surroundings and therefore imposed risks on other people. Environmental disinfection with ultraviolet radiation + chemical treatment should be emphasized. The findings may be useful to guide infection control practices for the Omicron BA.2.2 variant of SARS-CoV-2.

Copper(II) and Cobalt(II) Complexes Based on Abietate Ligands from Pinus Resin: Synthesis, Characterization and Their Antibacterial and Antiviral Activity against SARS-CoV-2.

Co-abietate and Cu-abietate complexes were obtained by a low-cost and eco-friendly route. The synthesis process used Pinus elliottii resin and an aqueous solution of CuSO4/CoSO4 at a mild temperature (80 °C) without organic solvents. The obtained complexes are functional pigments for commercial architectural paints with antipathogenic activity. The pigments were characterized by Fourier-transform infrared spectroscopy (FTIR), mass spectrometry (MS), thermogravimetry (TG), near-edge X-ray absorption fine structure (NEXAFS), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and colorimetric analysis. In addition, the antibacterial efficiency was evaluated using the minimum inhibitory concentration (MIC) test, and the antiviral tests followed an adaptation of the ISO 21702:2019 guideline. Finally, virus inactivation was measured using the RT-PCR protocol using 10% (w/w) of abietate complex in commercial white paint. The Co-abietate and Cu-abietate showed inactivation of >4 log against SARS-CoV-2 and a MIC value of 4.50 µg·mL-1 against both bacteria Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli). The results suggest that the obtained Co-abietate and Cu-abietate complexes could be applied as pigments in architectural paints for healthcare centers, homes, and public places.

Single-walled silicon nanotube as an exceptional candidate to eliminate SARS-CoV-2: a theoretical study.

In this work, computational chemistry methods were used to study a silicon nanotube (Si192H16) as possible virucidal activity against SARS-CoV-2. This virus is responsible for the COVID-19 disease. DFT calculations showed that the structural parameters of the Si192H16 nanotube are in agreement with the theoretical/experimental parameters reported in the literature. The low energy gap value (0.29 eV) shows that this nanotube is a semiconductor and exhibits high reactivity. For nanomaterials to be used as virucides, they need to have high reactivity and high inhibition constant values. Therefore, the adsorption of 3O2 and H2O on the surface of Si192H16 (Si192H16@O2-H2O) was performed. In this process, the formation and activation energies were -51.63 and 16.62 kcal/mol, respectively. Molecular docking calculations showed that the Si192H16 and Si192H16@O2H-OH nanotubes bind favorably on the receptor-binding domain of the SARS-CoV-2 spike protein with binding energy of -11.83 (Ki = 2.13 nM) and -11.13 (Ki = 6.99 nM) kcal/mol, respectively. Overall, the results obtained herein indicate that the Si192H16 nanotube is a potential candidate to be used against COVID-19 from reactivity process and/or steric impediment in the S-protein.Communicated by Ramaswamy H. Sarma.

Automated Disinfection System for Polyethylene Terephthalate Bottles for Bacteria, Fungi, and Viruses Using UVC LED Camera

The world is currently experiencing a crisis, caused by SARS-CoV-2 and a viral mutation. Given this, the mechatronic system is proposed that allows disinfecting contaminated surfaces. This device makes it possible to disinfect polyethylene terephthalate (PET) bottles by applying short-wave UVC rays from 200 to 280 nm, which generates a germicidal effect. The machine consists of a UVC chamber, transport, and a control system. For this, the methodology of the Association of German Engineers (VDI 2206) was used, taking into account the Inventor, TIA Portal, and Factory IO software, managing to develop the system whose light-emitting diodes inside the camera project type C ultraviolet light, camera protected by strips of plastic sheet (ABS) acrylonitrile butadiene styrene anti-ultraviolet light that blocks the projection wave up to 98% of the radiation;the recycled PET bottles are moved through a linear conveyor belt that supports a maximum weight of 200 kg, controlled by a control panel. Obtaining the results in this research focused on the design of the prototype, with a feasible structural system thanks to its maximum efficiency in the disinfection process. It is concluded that it is feasible to design a machine that projects ultraviolet rays to disinfect recycled PET bottles to eliminate viruses, parasites, fungi, and bacteria. © 2023, The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.

Disinfection Effect of High-pressure Carbon Dioxide on Human Coronavirus (hCoV-229E)

Objective: Exploring the disinfection effect of high-pressure carbon dioxide (HPCD) on human coronavirus 229E (hCoV-229E). Methods: The human coronavirus 229E (hCoV-229E) was treated by HPCD at different temperatures (10, 25, and 37 ℃) and pressures (6.3 and 10 MPa) for different time (15 and 30 min). Result: Compared with the control groups under the corresponding temperatures, the virus titer in 50 mL tube treated with HPCD at 10 ℃ and 6.3 MPa for 30 min was significantly decreased (P<0.05). The virus titer was also significantly reduced after treatment with HPCD at 37 ℃ and 10 MPa for 15 min (P<0.01). Moreover, the virus titers inoculated on the surfaces of salmon meat, shrimp shell, and polyethylene packing materials were all significantly decreased after HPCD treatment at 37 ℃ and 10 MPa for 15 min as compared with the corresponding control groups (P<0.05). Conclusion: HPCD treatment at 37 ℃ and 10 MPa for 15 minutes could effectively disinfect hCoV-229E on the surface of food (salmon meat and shrimp shell) and polyethylene packaging materials. © 2023, Editorial Department of Science and Technology of Food Science. All rights reserved.

Mosaic Patterned Surfaces toward Generating Hardly‐Volatile Capsular Droplet Arrays for High‐Precision Droplet‐Based Storage and Detection

Mosaic Patterned SurfacesIn article number 2206274, Yanjun Hu, Lin Li, and co‐workers report a mosaic patterned surface‐based chip that acquires mutually independent and hardly‐volatile capsular droplet arrays. The concept shows high compatibility and practicability, paving the way for the new microfluidic chips used in COVID‐19 diagnosis and other high‐precision detection.

Synthesis, crystal structure, DFT calculations, and Hirshfeld surface analysis of an NNN pincer type compound

The novel benzamide derivative NNN pincer type, N,N'-(azanediylbis(2,1-phenylene))bis(3-chlorobenzamide) (H3L), was synthesized from bis(2-nitrophenyl)amine starting material. The pincer ligand was characterized by 1H NMR, 13C NMR, COSY, HMQC, and FT-IR techniques. The geometry of pincer ligand was also confirmed by a single-crystal X-ray diffraction analysis. Structural analysis demonstrate that H3L is monoclinic and space group P21/n with Z = 4. It was find out the molecular conformation of the structure is promoted by intramolecular (N[sbnd]H⋅⋅⋅O, N[sbnd]H⋅⋅⋅N, and C[sbnd]H⋅⋅⋅O) and intermolecular (N(2)-H(2)⋅⋅⋅O(2)i, symmetry code (i) = 1/2 + x, 3/2-y, 1/2 + z) hydrogen bonds. The theoretical study of H3L was performed in the gaseous phase by B3LYP/6-311G(d,p) method to determine the structural properties of the title molecule, as a consequence the obtained data showed that the considerable agreement between the experimental and theoretical results. The reactivity and stability of the molecule were evaluated by calculating the HOMO–LUMO energy gap which was found as 6.5163 eV. In addition, FMO, NBO, NLO, DOS, RDG, MEP surface, and Mulliken atomic charge analyses were carried out. Hirshfeld surface analysis and two-dimensional fingerprint plots were investigated and the obtained data exposed that the most significant contributions to the crystal packing are from C···H/H···C (33.2%), H···H (31.5%), and H···Cl/Cl··H (18.9%) contacts. Furthermore, the molecular docking studies were performed to reveal the binding affinity between the title compound and the main protease (6LU7) of COVID-19 coronavirus. © 2023 Elsevier B.V.

4-(4-methoxyphenyl)-6-methyl-3-phenyl-4H-1,2,4-oxadiazin-5(6H)-one: Synthesis, crystal structure, Hirshfeld surface analysis, noncovalent, ADMET studies and biological evaluation

Oxadiazines are heterocyclic compounds containing two nitrogen and one oxygen atom in a six-membered ring. The synthesis and crystal structure of 4-(4-methoxyphenyl)-6-methyl-3-phenyl-4H-1,2,4-oxadiazin-5(6H)-one (MPMP-OXA) was reported. The organic crystal structure of the synthesized compound was fully characterized by various spectroscopic techniques (Fourier Transform Infrared Spectroscopy, NMR and LC/MS-TOF) and single-crystal X-ray diffraction studies. The MPMP-OXA crystal structure crystallizes in the triclinic system and space group P-1 with a = 5.9395(15) Å, b = 11.471(3) Å, c = 11.901(3) Å, α = 70.075(4)°, β = 83.454(4)°, γ = 78.016(4)°, V = 744.9(3) Å3, Z = 2 cell parameters. This work is aimed to study the weak interactions in the crystal packing of a new synthesized oxadiazine derivate. The contributions of the most important intermolecular interactions in the crystal structure were investigated by 3D-Hirshfeld surface (HS) and 2D-fingerprint analysis. The C[sbnd]H···O interactions as the most important contributors to the crystal packing between the oxygen of the oxadiazine ring and the hydrogen atom of phenyl ring appear as bright red spots visible on the HS surface. The hydrogen-bonded interaction of MPMP-OXA has been investigated using noncovalent interactions approach. The molecular docking studies for the synthesized compound were performed to gain insight into the inhibition nature of this molecule against DNA Gyrase B Candida and 3-chymotrypsin-like protease (SARS-CoV main protease) proteins and resulted in good activities for new anti-agents. Lastly, Bioavailability, druggability as well as absorption, distribution, metabolism, excretion, and toxicity parameters (ADMET), and gastrointestinal absorption (BOILED-Egg method) properties of newly synthesized compound using smile codes were performed in detail. © 2023 Elsevier B.V.

Structure, Morphology, and Surface Chemistry of Surgical Masks and Their Evolution up to 10 Washing Cycles

The Covid-19 crisis has led to a massive surge in the use of surgical masks worldwide, causing risks of shortages and high pollution. Various decontamination techniques are currently being studied to reduce these risks by allowing the reuse of masks. In this study, surgical masks were washed up to 10 times, each cycle under the same conditions. The consequences of the washing cycles on the structure, fiber morphology, and surface chemistry have been studied through several characterization techniques: scanning electron microscopy, wetting angle measurements, infrared spectroscopy, X-ray diffraction, and X-ray photoelectrons spectroscopy. The washing process did not induce large changes in the hydrophobicity of the surface, the contact angle remaining constant throughout the cycles. The composition observed in the IR spectrum also remained unchanged for washed masks up to 10 cycles. Some slight variations were observed during X-ray analysis: the crystallinity of the fibers as well as the size of the crystals increases with the number of wash cycles. The XPS analysis shows that after 10 cycles, the surface of the masks underwent a slight oxidation. In the SEM images, changes were observed in the arrangement of the fibers, which are more visible the more times the mask has been washed: they align themselves in bundles, form areas with holes in the mask layer, and are crushed in some areas. © 2023 American Chemical Society