Extended Ensemble Molecular Dynamics Study of Ammonia–Cellulose I Complex Crystal Models: Free-Energy Landscape and Atomistic Pictures of Ammonia Diffusion in the Crystalline Phase... by Toshifumi Yui (1768846)

“…Introducing hybrid quantum mechanical and molecular mechanics theory to the adaptive steered molecular dynamics simulation effectively lowered the heights of the PMF peaks to approximately 5 kcal/mol, accompanied by a slight decrease in the baseline. Removal of the ammonia molecules in the neighboring channels resulted in a continuous increase in the baseline for the migration of an ammonia molecule in the hydrophilic channel. …”

Extended Ensemble Molecular Dynamics Study of Ammonia–Cellulose I Complex Crystal Models: Free-Energy Landscape and Atomistic Pictures of Ammonia Diffusion in the Crystalline Phase... by Toshifumi Yui (1768846)

“…Introducing hybrid quantum mechanical and molecular mechanics theory to the adaptive steered molecular dynamics simulation effectively lowered the heights of the PMF peaks to approximately 5 kcal/mol, accompanied by a slight decrease in the baseline. Removal of the ammonia molecules in the neighboring channels resulted in a continuous increase in the baseline for the migration of an ammonia molecule in the hydrophilic channel. …”

SIM and SIMA detection in real samples. by Ewa Paszkowska (21246702)

Solvents for homogenization and extraction selection. by Ewa Paszkowska (21246702)

Fig 4 - by Amanda C. Hahn (17241106)

Correlation between difference in radial positions and spatial distance. by Elizabeth H. Finn (7060988)

Correlation between radial positions at all probes tested. by Elizabeth H. Finn (7060988)

Heatmaps for direction and significance of dependence on radial position for all pairs in HFF cells. by Elizabeth H. Finn (7060988)

Nonmetric multidimensional scaling ordination of vascular plants in a matrix of 93 plots x 36 species along the DMTS haul road in Cape Krusenstern National Monument, Alaska. by Peter N. Neitlich (4034300)

Heatmaps for direction and significance of dependence on radial position for pairs in the same radial shell HFF cells. by Elizabeth H. Finn (7060988)

Quantitative dynamics of <i>Salmonella</i> and <i>E</i>. <i>coli</i> in feces of feedlot cattle treated with ceftiofur and chlortetracycline by Naomi Ohta (735090)

“…Effects of antibiotics on the imputed log₁₀ quantity of <i>Salmonella</i> were analyzed via a multi-level mixed linear regression model. The <i>invA</i> gene copies decreased with CCFA treatment by approximately 2 log₁₀ gene copies/g feces and remained low following additional CTC treatment. …”

Intrinsic variability in radial position at all tested loci and correlations with sequencing data. by Elizabeth H. Finn (7060988)

Representative faces for cleft and normal/healthy infant groups (composite images used here to protect individual identities) illustrating the eye and mouth regions of interest ana... by Amanda C. Hahn (17241106)

Plot of cell migration velocity versus surface density of linear, cyclic and mixture RGD peptide on non-dynamic surfaces. by Eun-ju Lee (280914)

“…<p>For cyclic RGD surfaces (red line) the cell velocity does not change significantly as the peptide concentration increases. For linear RGD peptide surfaces (blue line) there is a biphasic behavior where cell velocity increases as peptide density reaches from 1% to 5% and then decreases at higher densities of peptide. …”

correlation between compounds shown as a heat-map. by Malinee Thanee (8433252)

Three Ca_V3.3 variants left-shift the window current, while the A398V completely abolishes the window current. by Yousra El Ghaleb (22075892)

All Ca_V3.3 variants left-shift the voltage dependence of inactivation. by Yousra El Ghaleb (22075892)

Activation, inactivation, and deactivation kinetics differ between Ca_V3.3 WT and variants as well as among the variants. by Yousra El Ghaleb (22075892)

Yielding and Irreversible Deformation below the Microscale: Surface Effects and Non-Mean-Field Plastic Avalanches by Paolo Moretti (218363)

Comparative study of periodicity estimation methods using ultrasonic signals by Adriana Kauati (6117455)

“…The quantifiable parameter called the mean scatterer spacing (MSS) can be useful to detect changes in the quasi-periodic microstructure of tissues such as the liver or the spleen, using ultrasonic signals. …”