Neuroinflammation plays a critical role in the neurodegenerative disease’s development, where microglia’s act an important role in the mechanisms of response to neuronal damage. In the present research, the neuroprotective effect from Salvia hispanica peptide fractions on the proinflammatory modulation on HMC3 microglial cells was evaluated. From the enzymatic hydrolysis of a protein-rich fraction from S. hispanica seeds, three peptide fractions ( less then 1, 1-3 and 3-5 kDa) were obtained, from which its neuroprotective and anti-inflammatory effect was determined on the production of proinflammatory mediators on HMC3 cells. The F1-3 kDa exhibited the greatest protective effect (79.04%), associated with the decrease in ROS cell production (51.3 ± 2.3%). Likewise, F1-3 kDa at 50 µg/ml, presented the highest reduction percentages of NO (33.1 ± 2.30%), TNFα (26.4 ± 1.1%) and IL6 (17.36 ± 1.6%). F1-3 kDa exhibited a neuroprotective effect in HMC3 cells associated with its antioxidant and anti-inflammatory effect. PRACTICAL APPLICATIONS Currently, neurodegenerative diseases represent a global health problem, so the search for bioactive compounds with neuroprotective effect is useful in the prevention and treatment of this group of diseases. Peptide research with an effect on the proinflammatory and prooxidant mediator’s reduction presents a potential application in the functional food’s development aimed at the treatment of chronic diseases, that have oxidative stress and inflammation as their etiological factor. The present research adds to the scientific evidence of the potential benefits of bioactive peptides obtained from chia seeds. The results correlate with the main health benefits of whole chia seed in humans, such as antioxidant, anti-inflammatory, hypoglycemic and hypotensive capacity. This relationship is associated with the protein and peptide composition of chia, which increases its added value as food. © 2020 Wiley Periodicals, Inc.The isolation of β-glucosidase from Hevea brasiliensis (Hbglu) seeds was investigated and a homology model was built on the MODELLER software to understand the structure feature. The quality of the model was evaluated on PROCHEK. The refined model was used for molecular docking on AutoDock 4.2 to determine the substrate- binding sites and potential substrates based on their calculated binding affinities. The substrate specificity of Hbglu was verified through the kinetic measurement of hydrolytic activities. Molecular dynamic simulations of cyanogenic β-glucosidase and ligand-bound complex showed that the free energy (ΔG) for the binding of p-nitrophenyl-β-D-glucopyranoside and daidzein-7-O-β-D-glucoside were -8.6 and -7.92 kcal/mol, respectively. Thus, daidzein-7-O-β-D-glucoside is a potential substrate. Future studies on the physicochemical properties and catalytic mechanisms will provide information on the molecular biological properties of Hbglu. Zunsemetinib in vitro PRACTICAL APPLICATIONS This study reported the 3D structural simulation of β-glucosidase from Hbglu. The docking condition between Hbglu and various different substrates were assessed on Autodock. The results can be used as reference in designing enzymes, and improving the utilization of β-glucosidases for the hydrolysis of flavor precursors from fruits, teas, and wines and for the production of flavonoid compounds and cyanogenic glycoside degradation. © 2020 Wiley Periodicals, Inc.RATIONALE Carbonate clumped isotope analysis involves the reaction of carbonate minerals with phosphoric acid to release CO2 for measurement in a gas-source isotope ratio mass spectrometer. Although the clumped isotope proxy is based on the temperature dependence of 13 C-18 O bonding preference in the mineral lattice, which is captured in the product CO2 , there is limited information on the phosphoric acid reaction mechanism and the magnitude of clumped isotopic fractionation (mass 63 in CO3 2- to mass 47 in CO2 ) during the acid digestion. METHODS We explored the reaction mechanism for phosphoric acid digestion of calcite using first-principles density functional theory. We identified the transition state structures for each reaction involving different isotopologues and used the corresponding vibrational frequencies in reduced partition function theory to estimate Δ47 acid fractionation. Experimental Δ47 data were acquired by processing sample CO2 gas through the dual-inlet peripheral of ThermoFinnigan MAT253 isotope ratio mass spectrometer. RESULTS We show that the acid digestion reaction, which results in the formation of CO2 enriched with 13 C-18 O bonds, commences with the protonation of calcium carbonate in the presence of water. Our simulations yielded a relationship between Δ47 acid fractionation and reaction temperature as Δ47 = -0.30175 + 0.57700*105 / T2 -0.10791* (105 /T2 )2 , with T varying between 298.15K and 383.15K. CONCLUSIONS We propose a reaction mechanism for the phosphoric acid digestion of calcite that shows a higher slope (Δ47 acid fractionation vs 1/T2 curve) than in previous studies. The theoretical estimates from the present and earlier studies encapsulate experimental observations from both ‘sealed vessel’ and ‘common acid bath’ acid digestion methods. This article is protected by copyright. All rights reserved.BACKGROUND Neonatal morbidity is associated with lifelong impairments, but the absence of a consensual definition and the need for large data sets limit research. OBJECTIVES To inform initiatives to define standard outcomes for research, we reviewed composite neonatal morbidity indicators derived from routine hospital discharge data. DATA SOURCES PubMed (updated on October 12, 2018). The search algorithm was based on three components “morbidity,” “neonatal,” and “hospital discharge data.” STUDY SELECTION AND DATA EXTRACTION Studies investigating neonatal morbidity using a composite indicator based on hospital discharge data were included. Indicators defined for specific conditions (eg congenital anomalies, maternal addictions) were excluded. The target population, objectives, component morbidities, diagnosis and procedure codes, validation methods, and prevalence of morbidity were extracted. SYNTHESIS For each study, we assessed construct validity by describing the methods used to select the indicator components and evaluated whether the authors assessed internal and external validity.