As the COVID-19 pandemic progresses, new variants of SARS-CoV-2 continue to emerge. This underscores the need to develop optimized tools to study such variants, as well as new coronaviruses that may arise in the future, and to use them for antiviral drug development. Here we introduce microscale thermophoresis (MST) as a reliable and versatile tool for coronavirus research, which we demonstrate through three different applications described in this report: 1) binding of the SARS-CoV-2 spike receptor binding domain (RBD) to peptides as a strategy to prevent virus entry, 2) binding of the RBD to the viral receptor ACE2, and 3) binding of the RBD to ACE2 in complex with the amino acid transporter SLC6A20/SIT1 or its allelic variant rs61731475 (p.Ile529Val). Our results demonstrate that MST is a highly precise approach to study protein-protein and/or protein-ligand interactions in coronavirus research, making it an ideal tool for studying viral variants and developing antiviral agents. The ability to measure interactions with proteins in their near-native plasma membrane environment is a unique advantage of the MST assay over other available binding assays.

In this work, the transport equations of ionic species in concrete are studied. First, the equations at the porescale are considered, which are then averaged over a representative elementary volume. The so obtained transport equations at the macroscopic scale are thoroughly examined and each term is interpreted. Furthermore, it is shown that the tortuosity-connectivity does not slow the average speed of the ionic species down. The transport equations in the representative elementary volume are then compared with the equations obtained in an equivalent pore. Lastly, comparing Darcy’s law and the Hagen-Poiseuille equation in a cylindrical equivalent pore, the tortuosity-connectivity parameter is obtained for four dierent concretes. The proposed model provides very good results when compared with the experimentally obtained chloride profiles for two additional concretes.

A variety of myricetin derivatives bearing ferulic acid amide scaffolds were designed and synthesized. The structures of all title compounds were determined by 1 H NMR, 13 C NMR, 19 F NMR and HRMS. Preliminary bioassays suggested that some of the target compounds exhibited remarkable antiviral activities. In particular, compound 4l possessed significant protection activity against tobacco mosaic virus (TMV), with an half maximal effective concentration (EC50) value of 196.11 μg/mL, which was better than commercial agent ningnamycin (447.92 μg/mL). Meanwhile, microscale thermophoresis (MST) indicated that compound 4l have strong binding capability to tobacco mosaic virus coat protein (TMV-CP) with dissociation constant (Kd) values of 0.34 μmol/L, which was better than ningnamycin (0.52 μmol/L). These results suggest that novel myricetin derivatives bearing ferulic acid amide scaffolds may be considered as an activator for antiviral agents.

An open source computational fluid dynamics (CFD) solver has been incorporated into the WindNinja modeling framework widely used by wildland fire managers as well as researchers and practitioners in other fields, such as wind energy, wind erosion, and search and rescue. Here we describe incorporation of the CFD solver and evaluate its performance compared to the conservation of mass (COM) solver in WindNinja and previously published large-eddy simulations (LES) for three field campaigns conducted over isolated terrain obstacles of varying terrain complexity: Askervein Hill, Bolund Hill, and Big Southern Butte. We also compare the effects of two important model settings in the CFD solver and provide guidance on model sensitivity to these settings. Additionally, we investigate the computational mesh and difficulties regarding terrain representation. Two important findings from this work are: (1) the choice of discretization scheme for advection has a significantly larger effect on the simulated winds than the choice of turbulence model and (2) CFD solver predictions are significantly better than the COM solver predictions at windward and lee side observation locations, but no difference was found in predicted speed-up at ridgetop locations between the two solvers.

In this work we have investigated the role of various additives (emulsifier, anti-dripping agent) and formulation procedure (pre- dispersion of solid additives in polyol via milling) which influence the flame retardancy of 6,6′-[ethan-1,2-diylbis(azandiyl)]bis(6H-dibenzo[c,e][1,2]oxaphosphin-6-oxid) (EDA-DOPO) containing flexible polyurethane foams. For comparison, the flame retardancy of two additional structurally analogues bridged 9, 10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO) based compounds i.e. ethanolamine-DOPO (ETA-DOPO) and ethylene glycol-DOPO (EG-DOPO) were also evaluated together with EDA-DOPO in flexible PU foams of various formulations. The flame retardancy of three bridged-DOPO compounds depends on the type of PU formulation. For certain PU formulation containing EDA-DOPO, lower fire performance was observed. Addition of emulsifier and polytetrafluoroethylene (PTFE) to these PU formulations influenced positively the flame retardancy of EDA-DOPO/PU foams. In addition, dispersion of EDA-DOPO and PTFE via milling in polyol improved the flame retardancy of the PU foams. Mechanistic studies performed using pyrolysis combustion flow calorimetry (PCFC) and its coupling to FTIR showed no difference in the combustion efficiency of the bridged-DOPO compounds in PU foams. From these PCFC experiments we can conclude that these bridged-DOPO compounds and their decomposition products may work primarily in the gas phase as flame inhibitors. Physiochemical behavior of additives in PU formulation responsible for the improvement in the flame retardancy of PU foams was further investigated by studying the dripping behavior of the PU foams in UL 94 HB test. A high-speed camera was used to study the dripping behavior in the UL 94 HB test and results indicate a considerable reduction of a total number of melt drips and flaming drips for the flame retardant formulations. This reduction in melt drips and flaming drips during the UL 94 HB tests help PU foams achieve higher fire classification.

A new two-dimensional nanomaterial – Titanium Carbide MXene (Ti₃C₂-MXene) – was reported in 2011. In this work, the microscale models of Ti₃C₂-MXene nanomaterial are considered with polymer matrix. The nanocomposites are modeled using nacre-mimetic brick-and-mortar assembly configurations due to enhanced mechanical properties and interlocking mechanism between the Ti₃C₂-MXene (brick) and polymer matrices (mortar). The polymer matrix material (Epoxy-resin) is modeled with elastic and viscoelastic behavior (Kelvin-Voigt Model). The Finite Element Method is used for numerical analysis of the microscale models with the multi-point constraint method to include Ti₃C₂-MXene fillers in the polymer matrix. Ti₃C₂-MXenes are considered as thick plate elements with transverse shear effects. The response of elastic and viscoelastic models of polymer matrix are studied. Finally, a tensile and compressive load is applied at the microscale and the effective load transfer due to nacre-mimetic configuration is discussed. This paper provides nacre-mimetic models to pre-design the nanocomposite for optimal performance with damage resistance and enhanced strength.

Congenital Pouch Colon (CPC) is a rare anorectal anomaly common to North Western India specifically Rajasthan. Despite efforts to understand the clinical genetic makeup of CPC, no attempt on identifying non-coding RNAs was done. We have earlier reported CPC's rare variants from whole exome sequencing across 18 affected samples in a total of 64 subjects. A Smith-Waterman algorithm was used to infer a couple of lncRNAs from WES samples of CPC with predictions from the Noncode database. Further screening and quantification using PCR, we ascertained interactions using Micro Scale Thermophoresis (MST). We report the role of lnc-EPB41-1-1 shown to be promiscuously interacting with KIF13A substantiating their role in regulation.

The nature of the sustainability crisis is characterized by high levels of complexity, thus it is not amenable to be approached from the linearity or reductionist paradigm. Emergence is a multilevel phenomenon that is characterized by qualitative novelty and is recognized as an important attribute of complex systems produced by self-organized processes, unveiled from a holistic stance. This conceptual-analytical article explores the emergence phenomenon and questions whether it can be a way of enhancing the solution process to meet the sustainability challenges. Emergent properties or behaviors emerge only when the system parts interact in a wider whole. Moreover, a systemic approach is proposed as an intermediary component in the process of emergence of creative and wise solutions to the wicked problems of unsustainability. This requires observation and entails analyzing open systems as a whole and recognizing the impact of traversing macro- and micro- scales on causal and creative emergence. The study also emphasizes synergies between emergence and creativity aimed at sustainability. Sustainable development requires leapfrogging past conventional practices, in an accelerated way, and the emergence phenomenon at play between systems levels, coupled with purposefully structured creative processes, holds the potential for catalyzing sustainable development efforts.

This study provides a contribution to the research field of 3D printed earthen buildings, focusing, for the first time, on the load-bearing capacity of these structures. The study involves the entire production and testing process of the earthen elements, from design, to the preparation of the mixture and the 3D printing, up to the uniaxial compression test on a wall segment. The results indicate that 3D printed earthen elements have a compressive strength of 2.32 MPa, comparable to that of rammed earth structures. The experimental data also made it possible to draw conclusions on the action of the infill, which seems to have the function of stopping the propagation of cracks. This has a positive effect on the overall behavior of 3D printed earthen elements, since it avoids the onset of dilative behavior in the final stages of the load test and maintains ultimate load values higher than 50% of the maximum load.