In situ Study of Dilute H₂SO₄ Pretreatment of ¹³C-Enriched Poplar Wood, Using ¹³C NMR

In situ ¹³C NMR measurements are reported on ¹³C-enriched powdered poplar wood that is subjected to pretreatment with 0.5 M sulfuric acid as a function of time and at two temperatures. ¹³C MAS (magic-angle spinning) spectra were obtained in both the DP (direct polarization) and CP (cross-polarization) modes, the contrasts in this combination yielding valuable qualitative information on the effect of pretreatment on local molecular mobilities. <i>T</i>₁ values for ¹³C and for ¹H, as well as <i>T</i>_CH and <i>T</i>_1ρH, were measured at various stages of treatment with 0.5 M H₂SO₄ for lignin peaks and for cellulose peaks in the ¹³C NMR spectra, as quantitative indicators of the degree of molecular motion for those two structural entities. The results show that a substantial fraction of the solid/semisolid biomass is converted at elevated temperatures to (a) chemically different and more mobile structures and (b) locally similar structures with enhanced atomic-level mobilities and that some fraction of this “mobilized” biomass does not return to the original level of immobility upon cooling the biomass back to room temperature. Analysis of the <i>T</i>₁ results by a rather simple model indicates that, for poplar wood in 0.5% H₂SO₄, the estimated (“global”) motional correlation time (at the multiatom level), τ_c, is in the range of about 0.7–1.5 ns at various stages and temperatures of the treatment

sj-docx-1-spp-10.1177_19485506231218360 – Supplemental material for Empathy Trends in American Youth Between 1979 and 2018: An Update

Supplemental material, sj-docx-1-spp-10.1177_19485506231218360 for Empathy Trends in American Youth Between 1979 and 2018: An Update by Sara Konrath, Alison Jane Martingano, Mark Davis and Fritz Breithaupt in Social Psychological and Personality Science</p

Additional file 1: Figure S1. of The Repertoire Dissimilarity Index as a method to compare lymphocyte receptor repertoires

RDI values vary according to the number of genes. Simulated datasets were generated by randomly drawing genes from a set of fixed probability vectors. Probabilities were generated by perturbing a constant baseline probability vector such that the absolute log-fold difference in each gene was between 0 (no change) and 8 (256-fold increase or decrease in each gene) relative to baseline. Each perturbation vector was used to generate datasets containing varying numbers of sequences (n = 50 to 20,000), and were then compared against a set of baseline datasets containing the same number of sequences. Mean and standard deviation of the RDI value was estimated from the spline model at multiple fold change values, and are plotted as probability density functions for a variety of different repertoire sizes (y axis). (PDF 59 kb

Additional file 2: Figure S2. of The Repertoire Dissimilarity Index as a method to compare lymphocyte receptor repertoires

Changes in repertoire content correlate with diversity changes following clonal expansion. Individual naĂŻve and memory CD4+ and CD8+ V gene repertoires were tallied based on the full (molecular) dataset from Rubelt et al. Shannon entropy was calculated for each repertoire, and the fold change in entropy between the naĂŻve and memory repertoires of each patient/cell type. A) Absolute log2 fold change values of Shannon entropy are plotted against the estimated fold change in repertoire contents as calculated by RDI. B) Individual log-fold change values (tick marks) and a kernel density plot (curved line) are shown for each group. Significance was determined using a paired t-test. (PDF 16 kb

Energetics of Xylose Decomposition as Determined Using Quantum Mechanics Modeling

The decomposition of xylose has been studied using quantum mechanical calculations supported by NMR data. Proposed mechanisms for the decomposition of xylose have been investigated by obtaining the structures and energies of transition states and products. The intent of this study was to understand the experimentally observed formation of furfural and formic acid that occurs during the decomposition of xylose in mildly hot acidic solutions. A mechanism of furfural formation involving the opening of the pyranose ring and subsequent dehydration of the aldose was compared to a direct intramolecular rearrangement of the protonated pyranose. Energies were determined using CBS-QB3, and it was shown that the barriers for dehydration of the aldose were high compared to intramolecular rearrangement. This result suggests that the latter mechanism is a more likely mechanism for furfural formation. The intramolecular rearrangement step results from protonation of xylose at the O2 hydroxyl group. In addition, it has been shown that formic acid formation is a likely result of the protonation of xylose at the O3 hydroxyl group. Finally, solvation of xylose decomposition was studied by calculating energy barriers for xylose in selected water clusters. The mechanisms proposed here were supported in part by 13C-labeling studies using NMR

The effect of cooling on the degree of crystallinity, solid-state and dissolution rate of multi-component hot-melt extruded amorphous solid dispersions.

Supporting Information   The effect of cooling on the degree of crystallinity, solid-state and dissolution rate of multi-component hot-melt extruded amorphous solid dispersions. Dean Hurley1, 2, Mark Davis2, Gavin M. Walker2, John G. Lyons1, Clement L. Higginbotham1, 2* 1Materials Research Institute, Athlone Institute of Technology, Athlone, Ireland 2Synthesis and Solid State Pharmaceutical Centre (SSPC), Bernal Institute, University of Limerick, Limerick, Ireland.</p

Microsatellite Genotype Data

This file includes raw genotype scores for 21 microsatellite loci across 82 Greater Prairie Chicken sampled from Jasper and Marion Counties in Illinois from 2010-2012

Descriptive Statistics.

Descriptive Statistics.</p

Supplementary file.

(DOCX)</p

MOESM1 of Host immune response to anti-cancer camptothecin conjugated cyclodextrin-based polymers

Additional file 1: Fig. S1. Working schemes for immunological analysis of nanoparticle IT-101 in mice. Fig. S2. Significant changes after 16 h IT-101 treatment were presented by dot plots. Fig. S3. Cytokine assay. Fig. S4. Changes of cytokine expression after CPT treatment. Fig. S5. Significant changes after 216 h treatment were presented by dot plots. Fig. S6. Early stage of tumorigenesis in F1B transgenic mice