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open access

Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

Description: Article presents a rigorous and systematic study of the band alignment of semiconductors in aqueous solutions by contrasting a range of hybrid explicit/implicit models against explicit atomistic simulations based on density-functional theory.
Date: October 11, 2019
Creator: Hörmann, Nicolas; Guo, Zhendong; Ambrosio, Francesco; Andreussi, Oliviero; Pasquarello, Alfredo & Marzari, Nicola
open access

Air pollution and endocrine disruptors induce human microbiome imbalances: A systematic review of recent evidence and possible biological mechanisms

Description: Article presents a systematic review examining the scientific evidence on the effect of environmental toxicants, air pollutants and endocrine disruptors (EDCs), on compositional and diversity of human microbiota.
Date: February 11, 2022
Creator: Mousavi, Sayed Esmaeil; Delgado-Saborit, Juana Maria; Adivi, Anna; Pauwels, Sara & Godderis, Lode
open access

Climate Metrics for C1–C4 Hydrofluorocarbons (HFCs)

Description: This article looks at hydrofluorocarbons (HFCs) which are potent greenhouse gases that are potential substitutes for ozone depleting substances. The Kigali amendment lists 17 HFCs that are currently in commercial use to be regulated under the Montreal Protocol. Future commercial applications may explore the use of other HFCs, most of which currently lack an evaluation of their climate metrics. In this work, atmospheric lifetimes, radiative efficiencies (REs), global warming potentials (GWPs), a… more
Date: May 11, 2020
Creator: Burkholder, James B. (James Bart), 1954-; Marshall, Paul; Bera, Partha P.; Francisco, Joseph S. & Lee, Timothy J.
open access

Early Oxidative Transformations During the Biosynthesis of Terrein and Related Natural Products

Description: This article combines heterologous expression and in vitro studies to show that the flavin-dependent monooxygenase (FMO) TerC catalyzes the initial oxidative decarboxylation of 6-HM. The results demonstrate that the biosynthetic pathways of terrein and related(polychlorinated) congeners diverge after oxidative decarboxylation of the lactone precursor that is catalyzed by a conserved FMO and further indicate that early dehydration of the side chain is an essential step.
Date: June 11, 2021
Creator: Kahlert, Lukas; Bernardi, Darlon; Hauser, Maurice; Lóca, Laura P.; Berlinck, Roberto G. S.; Skellam, Elizabeth et al.
open access

Evaluation of a Chicken 600K SNP genotyping array in non-model species of grouse

Description: This article tested the cross-species application of the Affymetrix 600K Chicken SNP array in five species of North American prairie grouse (Centrocercus and Tympanuchus genera). Two individuals were genotyped per species for a total of ten samples and a high proportion (91%) of the total 580 961 SNPs were genotyped in at least one individual (73–76% SNPs genotyped per species).
Date: April 11, 2019
Creator: Minias, Piotr; Dunn, Peter O.; Whittingham, Linda A.; Johnson, Jeff A. & Oyler-McCance, Sara
open access

Hypoxic level and duration differentially affect embryonic organ system development of the chicken (Gallus gallus)

Description: This article investigates how key organ systems are affected by hypoxia. The results indicated that either modest hypoxia (15% O2) throughout development, or hypoxia at any level during the late stages (d 11 to 18), increased the heart and chorioallantoic membrane weight, which partly compensated for the detrimental effects of hypoxia on embryonic development.
Date: December 11, 2019
Creator: Zhang, H. & Burggren, Warren W.
open access

Larval Development in Tropical Gar (Atractosteus tropicus) Is Dependent on the Embryonic Thermal Regime: Ecological Implications under a Climate Change Context

Description: Article presents research on how temperature affects fish populations. The study shows how changes in temperature may induce craniofacial and morphological alterations in fish during early stages and contribute to understanding the possible effects of global warming in early development of fish and its ecological implications.
Date: January 11, 2022
Creator: Cordova-de la Cruz, Simrith E.; Riesco, Marta F.; Martínez-Bautista, Gil; Calzada-Ruiz, Daniel; Martínez-Burguete, Talhia; Peña-Marín, Emyr S. et al.
open access

Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d0] bis(thiazole)-based ligand

Description: This article presents the synthesis and characterization of a hybrid vanadium-organic coordination polymer with robust magnetic order, a Curie temperature TC of ~110 K, a coercive field of ~5 Oe at 5 K, and a maximum mass magnetization of about half that of the benchmark ferrimagnetic vanadium(tetracyanoethylene)~₂ (V·(TCNE)~₂).
Date: October 11, 2018
Creator: Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad & Johnston-Halperin, Ezekiel
open access

A rapid thioacidolysis method for biomass lignin composition and tricin analysis

Description: This article developed a modified, rapid higher throughput thioacidolysis method to analyze both lignin monomeric composition and tricin content in the lignin polymer. The results demonstrate that the modified method can be used for rapid, high-throughput, and reliable lignin composition and tricin content analyses for screening transgenic plants for cell wall modifications or in large-scale genome-wide association studies (GWAS).
Date: January 11, 2021
Creator: Chen, Fang; Zhuo, Chunliu; Xiao, Xirong; Pendergast, Thomas H. & Devos, Katrien M.
open access

Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations

Description: Article provides a general reweighting framework based on anisotropic diffusion maps for manifold learning that takes into account that the learning data set is sampled from a biased probability distribution. The authors show that their proposed framework can be used in many manifold learning techniques on data from both standard and enhanced sampling simulations.
Date: November 11, 2022
Creator: Rydzewski, Jakub; Chen, Ming; Ghosh, Tushar K. & Valsson, Omar
open access

Solubility, Correlation, Dissolution Thermodynamics and Preferential Solvation of Meloxicam in Aqueous Mixtures of 2-Propanol

Description: Article studying solid-liquid equilibrium of meloxicam in {2-propanol + water} mixtures at several temperatures as a contribution to preformulation studies of homogeneous liquid pharmaceutical dosage forms based on this drug.
Date: July 11, 2021
Creator: Tinjacá, Darío; Martínez, Fleming; Almanza, Ovidio A.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
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