AYTY: A NEW LINE-LIST FOR HOT FORMALDEHYDE

begin{abstract} The ExoMol [1] project aims at providing spectroscopic data for key molecules that can be used to characterize the atmospheres of exoplanets and cool stars. Formaldehyde (H$_{2}$CO) is of growing importance in studying and modelling terrestrial atmospheric chemistry and dynamics. It also has relevance in astrophysical phenomena that include interstellar medium abundance, proto-planetary and cometary ice chemistry and masers from extra-galactic sources. However there gaps in currently available absolute intensities and a lack of higher rotational excitations that makes it unfeasible to accurately model high temperature systems such as hot Jupiters. Here we present textbf{AYTY} [2], a new line list for formaldehyde applicable to temperatures up to 1500 $K$. AYTY contains almost 10 million states reaching rotational excitations up to $J=70$ and over 10 billion transitions at up to 10 000 cm$^{-1}$. The line list was computed using the variational ro-vibrational solver TROVE with a refined textit{ab-initio} potential energy surface and dipole moment surface. end{abstract} begin{thebibliography}{1} bibitem{jt528} J.~Tennyson and S.~N. Yurchenko. newblock {em MNRAS}, 425:21--33, 2012. bibitem{jt597} A.~F. Al-Refaie, S.~N. Yurchenko, A.~Yachmenev, and J.~Tennyson. newblock {em MNRAS}, 2015. end{thebibliography

GPU ACCELERATED INTENSITIES: A NEW METHOD OF COMPUTING EINSTEIN-A COEFFICIENTS

begin{abstract} The use of variational nuclear motion calculations to produce comprehensive molecular line lists is now becoming common. In order to produce high quality and complete line-lists in particular applicable to high temperatures requires large amounts of computational resources. The more accuracy required, the larger the problem and the more computational resources needed. The two main bottlenecks in the production of these line-lists are solving the eigenvalue problem and the computation of the Einstein-A coefficients. From the project's recently released line-lists, the number of transitions can reach up to 10 billion evaluated by the combination of millions of eigenvalues and eigenvectors corresponding to individual energy states. For line-lists of this size, the evaluation of Einstein-A coefficients take up the vast majority of computational time compared to solving the eigenvalue problem. Recently, as part of the ExoMol [1] project, we have developed a new program called textbf{G}PU textbf{A}ccelerated textbf{IN}tensities (GAIN) that utilises the highly parallel Graphics Processing Units (GPU) in order to accelerate the evaluation of the Einstein-A coefficients. Speed-ups of up to 70x can be achieved on a single GPU and can be further improved by utilising multiple GPUs. The GPU hardware, its limitations and how the problem was implemented to exploit parallelism will be discussed. end{abstract} begin{thebibliography}{1} bibitem{jt528} J.~Tennyson and S.~N. Yurchenko. newblock {ExoMol: molecular line lists for exoplanet and other atmospheres}. newblock {em MNRAS}, 425:21--33, 2012. end{thebibliography

FRECKLL: Full and Reduced Exoplanet Chemical Kinetics distiLLed

We introduce a new chemical kinetic code FRECKLL (Full and Reduced Exoplanet Chemical Kinetics distiLLed) to evolve large chemical networks efficiently. FRECKLL employs `distillation' in computing the reaction rates, which minimizes the error bounds to the minimum allowed by double precision values ($\epsilon \leq 10^{-15}$). FRECKLL requires less than 5 minutes to evolve the full Venot2020 network in a 130 layers atmosphere and 30 seconds to evolve the Venot2020 reduced scheme. Packaged with FRECKLL is a TauREx 3.1 plugin for usage in forward modelling and retrievals. We present TauREx retrievals performed on a simulated HD189733 JWST spectra using the full and reduced Venot2020 chemical networks and demonstrate the viability of total disequilibrium chemistry retrievals and the ability for JWST to detect disequilibrium processes.Comment: 13 pages, 8 figure

YunMa: Enabling Spectral Retrievals of Exoplanetary Clouds

In this paper, we present YunMa, an exoplanet cloud simulation and retrieval package, which enables the study of cloud microphysics and radiative properties in exoplanetary atmospheres. YunMa simulates the vertical distribution and sizes of cloud particles and their corresponding scattering signature in transit spectra. We validated YunMa against results from the literature. When coupled to the TauREx 3 platform, an open Bayesian framework for spectral retrievals, YunMa enables the retrieval of the cloud properties and parameters from transit spectra of exoplanets. The sedimentation efficiency (f sed), which controls the cloud microphysics, is set as a free parameter in retrievals. We assess the retrieval performances of YunMa through 28 instances of a K2-18 b-like atmosphere with different fractions of H2/He and N2, and assuming water clouds. Our results show a substantial improvement in retrieval performances when using YunMa instead of a simple opaque cloud model and highlight the need to include cloud radiative transfer and microphysics to interpret the next-generation data for exoplanet atmospheres. This work also inspires instrumental development for future flagships by demonstrating retrieval performances with different data quality

Oral iron chelation therapy with deferiprone (L1)

Aims: To evaluate the oral iron chelator deferiprone (L₁) by conducting 2 long-term clinical trials in patients with iron overload and to assess its effectiveness and study its adverse effects both in vivo and in vitro. Results: L₁ was used long term(>6 months) in 53 patients with iron overload at a dose of approximately 50-100mg/kg/day. Urinary iron excretion (UIE) ranged between 5.3 and 66.8mg/24h. In a significant number of patients a dose in excess of 60mg/kg/day was required to induce a UIE in excess of 0.5mg/kg/day to result in a negative iron balance. No significant change in the mean UTE was observed when L₁ was given with or without food or vitamin C or in 2 or 4 divided daily doses. Serum ferritin fell in 36 of the 53 patients (68%) treated long term. The fall in serum ferritin was more marked in those patients with the highest body iron load as assessed by serum ferritin levels. Two patients developed agranulocytosis and 3 less severe neutropenia whilst receiving L₁. Studies using liquid culture systems have failed to show an increased susceptibility of the patients' myeloid precursors (CFU-GM) to L₁, alone or bound to iron, compared to normal myeloid precursors. Furthermore, the toxicity of free or iron bound L₁ to normal or the patients' myeloid precursors was less than that of desferrioxamine (DFX). Joint or musculoskeletal problems was observed in 14 of 53 (26%) patients treated long term. The results here show for the first time that L₁ can cause mild zinc deficiency in some patients. This was more marked in patients with diabetes mellitus. Nine of 63 patients (14%) treated with L₁ developed nausea and 17 of 54 (32%) developed a transient fluctuation in the serum level of aspartate transaminase (AST). L₁ was rapidly absorbed (abt1/2: 22.2±17.7min) and eliminated (elt1/2: 9l.1±33.1min) mainly as L₁-glucuronide (L₁G) but also as free L₁ and L₁-iron complex in urine. L₁ efficiency was 3.8±1.9%. It was found that L₁G can accumulate in patients with impaired renal function. Using urea-polyacrylamide gel electrophoresis L₁ was found to be capable of removing significant proportion of transferrin iron. Assuming that all the iron removed from transferrin by L₁ was excreted in urine in 24 hours, it was found that this comprised 21.3±20.2% (5.8-67.1%) of total UIE. Using an HPLC (high-pressure liquid chromatography)-based method L₁ was found to be capable of causing a significant fall in the serum concentrations of non-transferrin-bound iron in patients with iron overload. Conclusions: L₁ was shown to be an effective iron chelator in inducing a significant urinary iron excretion in a considerable number of patients leading to a reduction in body iron stores as evident by a fall in serum ferritin. But long-term use was associated with adverse effects the most important of which were agranulocytosis and joint toxicity

YunMa: Enabling Spectral Retrievals of Exoplanetary Clouds

In this paper, we present YunMa , an exoplanet cloud simulation and retrieval package, which enables the study of cloud microphysics and radiative properties in exoplanetary atmospheres. YunMa simulates the vertical distribution and sizes of cloud particles and their corresponding scattering signature in transit spectra. We validated YunMa against results from the literature. When coupled to the TauREx 3 platform, an open Bayesian framework for spectral retrievals, YunMa enables the retrieval of the cloud properties and parameters from transit spectra of exoplanets. The sedimentation efficiency ( f _sed ), which controls the cloud microphysics, is set as a free parameter in retrievals. We assess the retrieval performances of YunMa through 28 instances of a K2-18 b-like atmosphere with different fractions of H _2 /He and N _2 , and assuming water clouds. Our results show a substantial improvement in retrieval performances when using YunMa instead of a simple opaque cloud model and highlight the need to include cloud radiative transfer and microphysics to interpret the next-generation data for exoplanet atmospheres. This work also inspires instrumental development for future flagships by demonstrating retrieval performances with different data quality

Prognostic value of end-of-induction PET response after first-line immunochemotherapy for follicular lymphoma (GALLIUM): secondary analysis of a randomised, phase 3 trial

International audiencePET investigators from the GALLIUM study (2018). Prognostic value of end-of-induction PET response after first-line immunochemotherapy for follicular lymphoma (GALLIUM): secondary analysis of a randomised, phase 3 trial. The Lancet Oncology

Prognostic value of end-of-induction PET response after first-line immunochemotherapy for follicular lymphoma (GALLIUM): secondary analysis of a randomised, phase 3 trial

International audienc