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Despite being considered an extreme environment, several studies have shown that life in the deep subsurface is abundant and diverse. Microorganisms inhabiting these systems live within the rock pores and, therefore, the geochemical and geohydrological characteristics of this matrix may influence the distribution of underground biodiversity. In this study, correlative fluorescence and Raman microscopy (Raman-FISH) was used to analyze the mineralogy associated with the presence of members of the genus Acidovorax, an iron oxidizing microorganisms, in native rock samples of the Iberian Pyrite Belt subsurface. Our results suggest a strong correlation between the presence of Acidovorax genus and pyrite, suggesting that the mineral might greatly influence its subsurface distribution.

Extended full-dimensional quasiclassical trajectory calculations have been performed for the H(a)H(b) (v(ab) = 10, 11, 12, 13, 14, j(ab) = 0) + H(c)H(d) (v(cd) = 0, j(cd) = 0) collisions at values of the translational energy ranging from threshold to 1.5 eV and values of the total angular momentum quantum number J varying from zero to very large ones. Collision-induced dissociation, four-center exchange reaction, and single exchange process probabilities have been calculated. Full-dimensional classical calculations were found to reproduce well the corresponding (J = 0) quantum results, including the thresholds. In contrast, the agreement of full-dimensional classical calculations with the corresponding both quantum and classical reduced dimensionality ones was found to be poor. The effect of varying J on the efficiency of the various processes has also been investigated. Four-center reactions were found to be favored by low values of J, whereas dissociation processes were found to be favored by higher values of J, as expected from the fact that energy exchange takes place at longer range than mass exchange. To evaluate to what extent the J = 0 full-dimensional calculations represent the unconstrained dynamics of the system, J-shift model classical results were compared with the all-J ones. Product vibrational distributions for both partially dissociative and exchange processes were also found to depend significantly on the value of J.

The Cl + CH4 reaction has been investigated using a full dimensional quasiclassical trajectory technique and a new potential energy surface. The new surface is generated by expanding the interaction in terms of minimum energy paths in the Bond Order space. Results are compared with those obtained on another recently proposed potential energy surface and with experimental data.

An extended comparison of the reactive properties of the N + N(2) exchange reaction calculated on a non-collinear dominant potential energy surface using both a centrifugal sudden and a J-shift quantum method is reported. The choice of carrying out such an investigation for N + N(2) is motivated by the fact that the best available (and currently used for spacecraft re-entry simulations) computed set of kinetic data has been worked out using the low level J-shift approximation though based on exact quantum zero total angular momentum probabilities. The fact that our investigation is carried out for a heavy system and a potential energy surface free of wells in the strong interaction region minimizes the occurrence of tunnel, resonance and interference effects which would make the rationalization of the result difficult and the centrifugal sudden treatment less accurate. The study has provided evidence of two important limits of the J-shift approximation: the wrong determination of the maximum value of the total angular momentum quantum number J contributing to reactivity and the lack of deformation of the partial reactive probability dependence on energy at fixed J value. Accordingly, it has been found that the J-shift state-specific cross sections underestimate the corresponding CS values when the initial diatomic rotational energy is low while the situation reverses when the initial diatomic rotational energy is high.

A linear mixed model and chi-squared tests were used to estimate the effects of the dietary inclusion of herbal choline at 0.071 % of the diet in the entire dairy herd (target dose of 17 g/d in lactating cows) using data from six years in a commercial farm. The feed plant additive (BioCholine) was included in the premix spanning three years (2016-2018) feeding 442 cows average per year and information was compared with the three previous years (2013 – 2015; 424 cows average per year). Energy corrected milk in the period 2016-2018 was increased by 1.57% (p<0.001) compared to years 2013-2016 (36.36 vs. 35.80 kg/d). Fertility in cows during first lactation was improved (P<0.01) with the feed plant additive (45.33 vs. 37.0%). The period feeding herbal choline (2016-2018) showed a reduction (p<0.0001) in abortions (15.65 to 7.29%) and clinical (p<0.005; 12.59 to 6.95%) and subclinical mastitis (p<0.05; 8.65 to 5.22%) and in respiratory disorders (p<0.10; 12.42 to 8.56%) whereas hypocalcaemia incidence was increased (p<0.01) from 1.73 to 6.22%. Total herd replacement was reduced during the years 2016-2018 by 5.73% (p<0.05) without effects in mortality. Inclusion of the plant feed additives containing conjugates of choline improved milk yield, fertility in first lactation cows and important health indicators which help to reduced herd replacement.

A potential energy functional based on a many-process expansion minimum energy path approach has been fitted to the ab initio potential energy values of the Cl ϩ CH 4 system. The functional form adopted, the parameters of the fitted surface, and the variation of the cone of acceptance as a function of relevant parameters are discussed.

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