The rovibrational spectrum of BeH, MgH and CaH at high temperatures in the X 2Σ+X\,{}^2\Sigma^+ state: a theoretical study

Accurate line lists for three molecules, BeH, MgH and CaH, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 2000K). A combination of empirical and \textit{ab initio} methods is used. The rovibrational energy levels of BeH, MgH and CaH are computed using the programs Level and DPotFit in conjunction with `spectroscopic' potential energy curves (PECs). The PEC of BeH is taken from the literature, while the PECs of CaH and MgH are generated by fitting to the experimental transition energy levels. Both spin-rotation interactions (except for BeH, for which it is negligible) and non-adiabatic corrections are explicitly taken into account. Accurate line intensities are generated using newly computed \textit{ab initio} dipole moment curves for each molecule using high levels of theory. Full line lists of rotation-vibration transitions for $^9$BeH, $^{24}$MgH, $^{25}$MgH, $^{26}$MgH and $^{40}$CaH are made available in an electronic form as supplementary data to this article and at \url{www.exomol.com}.Comment: MNRAS (in press

Methylseleninic Acid Sensitizes Ovarian Cancer Cells to T-Cell Mediated Killing by Decreasing PDL1 and VEGF Levels

Redox active selenium (Se) compounds at sub toxic doses act as pro-oxidants with cytotoxic effects on tumor cells and are promising future chemotherapeutic agents. However, little is known about how Se compounds affect immune cells in the tumor microenvironment. We demonstrate that the inorganic Se compound selenite and the organic methylseleninic acid (MSA) do not, despite their pro-oxidant function, influence the viability of immune cells, at doses that gives cytotoxic effects in ovarian cancer cell lines. Treatment of the ovarian cancer cell line A2780 with selenite and MSA increases NK cell mediated lysis, and enhances the cytolytic activity of T cells. Increased T cell function was observed after incubation of T cells in preconditioned media from tumor cells treated with MSA, an effect that was coupled to decreased levels of PDL1, HIF-1α, and VEGF. In conclusion, redox active selenium compounds do not kill or inactivate immune cells at doses required for anti-cancer treatment, and we demonstrate that MSA enhances T cell-mediated tumor cell killing via PDL1 and VEGF inhibition

Screening for adsorptions of Calbindin D9k and Monellin proteins to Silica nanoparticles

Although nanoparticles (NPs) are very small, their field in science is currently growing very large. There are several biological, medical and technical applications possible for NPs when bound to proteins. Protein-NP interactions are difficult to predict and therefore a lot of fundamental research is yet to be completed. This study is an attempt to contribute with the aim to explore the interaction between two different proteins with three different sizes of silica NPs. By fluorescence spectroscopy light have been shone on silica NPs and their interactive behavior in combination with three different mutations of the two proteins calbindin D9k and monellin respectively. The fluorescence intensity was measured with two different fluorophores; ANS and NR. The study considers six different scenarios of interaction to be possible. Dynamic light scattering measurements were carried out to complement the fluorescence screening results. Interaction appear to be occurring, particularly for the specific combination of the positively charged (+8) mutation of monellin and silica NP, which also indicate on protein concentration dependence. The NP size appear to have an impact on the concentration limits for (+8) mutation of monellin. The results of the experiments also indicate that ANS is a more suitable fluorophore than NR for fluorescence measurements on silica NPs.Mötet mellan nanopartikel och protein Uttrycket ”god kemi” används som beskrivning för möten mellan människor som kommer bra överens, de som interagerar väl med varandra. Faktorer som personlighet och andra egenskaper spelar stor roll för att ”god kemi” ska uppstå. Likadant är det vid mötet mellan nanopartiklar och proteiner. Skillnaden är att det sker på nanoskalig nivå och att det är, istället för personlighetsdrag, avgörande kemiska egenskaper som påverkar deras interaktion. Interaktionens goda kemi är bokstavligen avgörande i mötet mellan nanopartiklar och proteiner och är viktigt att ha förståelse för vid framställningen av exempelvis framtida läkemedel. Med denna studie har kombinationen av silica nanopartiklar och de två proteinerna calbindin D9k respektive monellin undersökts i syfte att öka förståelsen och gynna framtida forskning. En nanopartikel är mellan 1–100 miljarddels meter i diameter. Eftersom denna storleksordning är omöjlig för blotta ögat att se måste andra metoder användas för att kunna studera nanopartiklar. Fluorescence spektroskopi är en metod som mäter fluoroscence intensitet (IF) och gör det möjligt att iaktta partiklar av nanoskalig storlek. Med hjälp av en molekyl som avger ljus beroende på dess omgivande miljöfaktorer, en så kallad fluorofor, har särskilda protein-nanopartikel kombinationer studerats. Tre olika scenarier för interaktion är möjliga och är illustrerade i Figur 1. Scenario 1 antyder interaktion, scenario 2 antyder interaktion med förändrad struktur av protein som följd och scenario 3 antyder ingen interaktion. Beroende på om fluorofor binder nanopartikel eller inte delas scenarierna in i två olika sektioner, A och B. Genom att mäta IF för dels den särskilda nanopartikel-protein kombinationen (IF total) och dels IF för nanopartikel (IF particle) respektive protein (IF protein) var för sig kan förhållandet dem emellan demonstrera huruvida interaktion sker eller inte. Oavsett ”god kemi” är vetskapen om hur specifika nanopartikel-protein kombinationer beter sig av stort värde. Det ger möjlighet att med ökad säkerhet förutspå andra kombinationers interaktionsmönster. Denna grundforskning har potential till avgörande kunskap inför framtida upptäckter. Handledare: Martin Lundqvist Examensarbete 15 hp i Molekylärbiologi HT2016 Biologiska institutionen, Lunds universite

On the relationship between green preferences and returns

Abstract The care for the environment in investment situations is rising among different groups of investors, due to social and psychological factors. Existing studies on nonpecuniary preferences for the environment are focused on measuring the proportion of individuals with green agendas, whereas we focus on measuring also magnitudes, i.e. how much future wealth are people actually prepared to give up for making a greener investment? Inspired by behavioural finance, we have derived an economic experimental survey to allocate nonpecuniary preferences and thus, the input variables of an extension of CAPM. Using the extension of CAPM that includes environmental preferences and further develop the traditional CAPM assumptions per the addition of the variables e, a1 and a2, we find the linear relationship between green performance of an asset and return. The linear relationship between environmental performance of an asset and return is displayed through the slope: -0.368. Despite the negative relationship, the results show that in 44.6 % of cases, a nonpecuniary preference for the environment is present. The aggregated return, exchanged for a higher environmental score, enumerates to 1.19 percentage points. Our main contribution is that this is the first study to translate survey responses into exactly how the cost of capital for a company is related to its environmental performance