Potential energy surfaces for singlet and triplet states of the LiH system and quasi-classical trajectory cross sections for H + LiH and H + LiH.

A new set of six accurate potential energy surfaces (PESs) is presented for the first three singlet and triplet states of LiH (1,2A', 1A'', 1,2A', and 1A'' states, where four of them are investigated for the first time), which have allowed new detailed studies gaining a global view on this interesting system. These states are relevant for the study of the most important reactions of lithium chemistry in the early universe. More than 45 000 energy points were calculated using the multi-reference configuration interaction level of theory using explicitly correlated methods (ic-MRCI-F12), and the results obtained for each individual electronic state were fitted to an analytical function.

Levels of Polychlorinated Dibenzo--Dioxins/Furans (PCDD/Fs) and Dioxin-Like Polychlorinated Biphenyls (DL-PCBs) in Human Breast Milk in Chile: A Pilot Study.

Persistent organic pollutants (POPs) are organic compounds that resist biochemical degradation, moving long distances across the atmosphere before deposition occurs. Our goal was to provide up-to-date data on the levels of polychlorinated dibenzo--dioxins/furans (PCDD/Fs) and dioxin-like polychlorinated biphenyls (DL-PCBs) in breast milk from Chilean women and to estimate the exposure of infants due to breast milk consumption. In Chile, we conducted a cross-sectional study based on methodologies proposed by the WHO, with a sample of 30 women recruited from three defined areas: 10 from the Arica Region (urban; Arica and Parinacota Region), 10 from Coltauco (rural; O'Higgins Region), and 10 from Molina (40% rural; Maule Region).

Viral RNA load in plasma is associated with critical illness and a dysregulated host response in COVID-19.

Background: COVID-19 can course with respiratory and extrapulmonary disease. SARS-CoV-2 RNA is detected in respiratory samples but also in blood, stool and urine. Severe COVID-19 is characterized by a dysregulated host response to this virus.

Resuscitation with albumin using BET formula keeps at bay fluid administration in burned patients. An observational study.

BET (Biological Engineering Technology) formula uses fluids with high albumin concentration to resuscitate burn patients. It estimates fluid resuscitation as a function of Body Burned Surface Area (BBSA) (ml/h = BBSA (m) × 220) and administers it through a combination of lactated ringer and 20% Albumin starting at a 1:1 relationship. The proportion of albumin is decreased every 8 h, and infusion rate is modified according to urinary output.

Dynamics of the O(3P) + CH4 → OH + CH3 reaction is similar to that of a triatomic reaction.

The O((3)P) + CH(4) reaction has been investigated using the quasi-classical trajectory (QCT) method and an ab initio pseudotriatomic potential energy surface (PES). This has been mainly motivated by very recent experiments which support the reliability of the triatomic modeling even at high collision energy ( = 64 kcal mol(-1)). The QCT results agree rather well with the experiments (translational and angular distributions of products); i.

Predicting the probability of survival in intensive care unit patients from a small number of variables and training examples.

Objective: Survival probability predictions in critically ill patients are mainly used to measure the efficacy of intensive care unit (ICU) treatment. The available models are functions induced from data on thousands of patients. Eventually, some of the variables used for these purposes are not part of the clinical routine, and may not be registered in some patients.