Some modular relations for the Göllnitz-Gordon functions and Ramanujan’s modular equations

Huang used the methods of Rogers, Watson and Bressoud to derive some new modular relations involving the Göllnitz-Gordon functions. In this paper, using Ramanujan’s modular equations, we present a uniform method to prove these modular relations established by Huang.     

Geospatial model of COVID-19 spreading and vaccination with event Gillespie algorithm

We have developed a mathematical model and stochastic numerical simulation for the transmission of COVID-19 and other similar infectious diseases that accounts for the geographic distribution of population density, detailed down to the level of location of individuals, and age-structured contact rates. Our analytical framework includes a surrogate model optimization process to rapidly fit the parameters of the model to the observed epidemic curves for cases, hospitalizations, and deaths. This toolkit (the model, the simulation code, and the optimizer) is a useful tool for policy makers and epidemic response teams, who can use it to forecast epidemic development scenarios in local settings (at the scale of cities to large countries) and design optimal response strategies. The simulation code also enables spatial visualization, where detailed views of epidemic scenarios are displayed directly on maps of population density. The model and simulation also include the vaccination process, which can be tailored to different levels of efficiency and efficacy of different vaccines. We used the developed framework to generate predictions for the spread of COVID-19 in the canton of Geneva, Switzerland, and validated them by comparing the calculated number of cases and recoveries with data from local seroprevalence studies.

     

Experimental density and viscosity measurements of di(2ethylhexyl)sebacate at high pressure

Experimental densities and dynamic viscosities of di(2-ethylhexyl)sebacate (DEHS) are the object of study in this work. DEHS could be a useful industrial reference fluid for moderately high viscosity at high pressures as it is often used as a pressure transmitting fluid. At atmospheric pressure the density and viscosity measurements have been performed in a rotational SVM 3000 Stabinger viscometer from (273.15 to 373.15) K, whereas from (0.1 to 60) MPa and from (298.15 to 398.15) K an automated Anton Paar DMA HPM vibrating-tube densimeter, and a high-pressure rolling-ball viscometer were used. Several Vogel–Fulcher–Tammann type equations were used to fit the experimental values of viscosity to the pressure and temperature. The measured viscosity data have been used together with previous data found in the literature to establish a correlation of the viscosity surface η(T, p) of DEHS, covering a temperature range from (273 to 491) K and pressure up to 1.1 GPa. This correlation could be used in industrial equipment like viscometers and other devices that operate at high pressures. Our viscosity data have also been fitted as a function of temperature and volume to the thermodynamic scaling model of Roland et al. [C.M. Roland, S. Bair, R. Casalini, J. Chem. Phys. 125 (2006) 124508].     

Druggable hot spots in trypanothione reductase: novel insights and opportunities for drug discovery revealed by DRUGpy

Journal of Computer-Aided Molecular Design - Assessment of target druggability guided by search and characterization of hot spots is a pivotal step in early stages of drug-discovery. The raw output...     

Electrochemically Driven Cup‐and‐Ball CuI and CuII Complexes

The conformation of copper “funnel” complexes that contains a coordinating appended arm can be electrochemically switched between endo, which corresponds to the self‐coordination of the arm through the cavity, and exo positions. This process, which is reminiscent of a cup‐and‐ball device, is activated by an exogenous ligand for complexes that contain a hydroxy‐terminated arm. The exchange is electrochemically triggered and is operated in either Cu^I or Cu^II redox states, depending on the exogenous ligand, that is, CO or n‐butylamine, respectively.     

Heterologous Expression of Transaldolase Gene Tal from Saccharomyces cerevisiae in Fusarium oxysporum for Enhanced Bioethanol Production

The filamentous fungus Fusarium oxysporum is known for its ability to ferment xylose-producing ethanol. However, efficiency of xylose utilization and ethanol yield was low. In this study, the transaldolase gene from Saccharomyces cerevisiae has been successfully expressed in F. oxysporum by an Agrobacterium tumefaciens-mediated transformation method. The enzymatic activity of the recombinant fungus (cs28pCAM-Sctal4) was 0.195 times higher than that of the wild-type strain (cs28). The recombinant strain also exhibited a 28.83% increase in ethanol yield on xylose media compared to the parental strain. Enhanced ethanol production and a reduction in the biomass were observed during xylose fermentation. Ethanol yield from rice straw by simultaneous saccharification and fermentation with cs28pCAM-Sctal4 was 0.25 g?g?1 of rice straw. The transgenic strain of F. oxysporum cs28pCAM-Sctal4 might therefore have potential applications in industrial bioenergy production.     

Compressed liquid densities of two dipentaerythritol esters

In this work, an experimental study for the determination of the density of two dipentaerythritol esters, dipentaerythritol hexapentanoate (DiPEC5) and dipentaerythritol hexaheptanoate (DiPEC7) has been performed for temperatures ranging from 283.15 K to 398.15 K and pressures up to 70 MPa. The heart of the automatic assembly is an Anton Paar DMA HPM vibrating-tube densimeter. The measured densities have been used to study the behaviour and influence of temperature and pressure on the isothermal compressibility, the isobaric thermal expansivity and the internal pressure.     

Thermal stability of recombinant green fluorescent protein (GFPuv) at various pH values

The thermal stability of the recombinant green fluorescent protein (GFPuv) expressed by Escherichia coli cells and isolated by three-phase partitioning extraction with hydrophobic interaction chromatography was studied. The GFPuv (3.5–9.0 μg of GFPuv/mL) was exposed to various pH conditions (4.91–9.03) and temperatures (75–95°C) in the 10 mM buffers: acetate (pH 5.0–7.0), phosphate (pH 5.5–8.0), and Tris-HCl (pH 7.0–9.0). The extent of protein denaturation (loss of fluorescence intensity) was expressed in decimal reduction time (D-value), the time exposure required to reduce 90% of the initial fluorescence intensity of GFPuv. For pH 7.0 to 8.0, the thermostability of GFPuv was slightly greater in phosphate buffer than in Tris-HCl. At 85°C, the D-values (pH 7.1–7.5) ranged from 7.24 (Tris-HCl) to 13.88 min (phosphate) The stability of GFPuv in Tris-HCl (pH>8.0) was constant at 90 and 95°C, and the D-values were 7.93 (pH 8.38–8.92) and 6.0 min (pH 8.05–8.97), respectively. The thermostability of GFPuv provides the basis for its potential utility as a fluorescent biologic indicator to assay the efficacy of moist-heat treatments at temperatures lower than 100°C.     

Solvation structure of I- and Na+ on the surface of NaI aqueous solution studied by photodetachment spectroscopy in combination with mass spectrometry

We investigated solvation structures of I(-) and Na(+) on an aqueous solution surface by photodetachment spectroscopy and mass spectrometry. An aqueous solution of NaI was introduced into the vacuum as a continuous liquid flow (liquid beam), and the liquid beam was irradiated with a UV laser pulse. The abundance of electrons emitted by the laser excitation was measured as a function of wavelength (photodetachment spectroscopy). For a concentrated aqueous solution of NaI, we observe an absorption peak at longer wavelengths than the charge-transfer-to-solvent band of I(-) in solution. This feature is assigned to the photoabsorption of I(-) at the surface. This finding indicates that when the concentration of NaI is high (>1.0 M), I(-) exists on the solution surface. The identity of the ion clusters ejected from the liquid beam following selective laser excitation of I(-) on the surface or I(-) inside the solution was revealed by mass spectrometry. The mass spectra show that Na rich clusters are formed when I(-) inside the solution is excited, whereas Na rich clusters are hardly formed by the excitation of surface I(-). These findings lead us to conclude that Na(+) does not exist on the surface of the NaI aqueous solution.