Publications by authors named "O Roncero"

CH was the first molecular ion identified in the interstellar medium and is found to be ubiquitous in interstellar clouds. However, its formation and destruction paths are not well understood, especially at low temperatures. A new theoretical approach based on the canonical variational transition state theory was used to study the H + CH reactive collisions.

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We report a study on the reactive collision of S+(4S) with H2, HD, and D2 combining guided ion beam experiments and quantum-mechanical calculations. It is found that the reactive cross sections reflect the existence of two different mechanisms, one being spin-forbidden. Using different models, we demonstrate that the spin-forbidden pathway follows a complex mechanism involving three electronic states instead of two as previously thought.

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Background: some patients with inflammatory bowel disease (IBD) treated with antiTNF develop drug-induced psoriasis (antiTNF-IP). Several therapeutic strategies are possible.

Aims: to assess the management of antiTNF-IP in IBD, and its impact in both diseases.

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Article Synopsis
  • Markers for personalized treatment options for patients with inflammatory bowel diseases (IBD) remain unidentified, prompting a study on real-life treatment trends.
  • The study analyzed data from 10,009 patients from the ENEIDA registry, revealing that anti-TNF drugs were the most commonly used first-line treatments, but their usage declined over time in Crohn's disease (CD) while remaining stable in ulcerative colitis (UC).
  • Despite exploring Machine Learning for treatment pattern prediction, researchers found that these models were ineffective, indicating distinct treatment approaches for CD and UC and highlighting the rising importance of drugs like ustekinumab and vedolizumab.
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C H 3 + , a cornerstone intermediate in interstellar chemistry, has recently been detected for the first time by using the James Webb Space Telescope. The photodissociation of this ion is studied here. Accurate explicitly correlated multi-reference configuration interaction ab initio calculations are done, and full-dimensional potential energy surfaces are developed for the three lower electronic states, with a fundamental invariant neural network method.

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