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. …”

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. …”

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. …”

Requirement of Chloride for the Downhill Electron Transfer Pathway from the Water-Splitting Center in Natural Photosynthesis by Manoj Mandal (8156265)

“…In photosystem II (PSII), Cl^– is a prerequisite for the second flash-induced oxidation of the Mn₄CaO₅ cluster (the S₂ to S₃ transition). …”

Different species of FFA concentrations (nmol/g) of 6 mo and 12 mo NEXLPL+/- mice in hippocampus. by Tian Yu (117385)

25OHD₃ increases expression of TRPV5 in the kidneys of CYP27B1^-/- mice with CKD. by Noelia Torremadé (3687523)

(A)(B) Spatial learning and memory was tested with Morris Water Maze of NEXLPL+/- and CTR mice at 21–23 mo of age. by Tian Yu (117385)

NEXLPL+/- mice have multiple neurobehavioral abnormalities. by Tian Yu (117385)

Effect of Methanol Additives on Soot Inhibition during <i>n</i>‑Decane Pyrolysis by Lu Liu (171341)

“…The simulation results show that the mole fractions of C₂H₂, C₃H₃, C₅H₅, and BINs decrease significantly with methanol addition. …”

Effect of Methanol Additives on Soot Inhibition during <i>n</i>‑Decane Pyrolysis by Lu Liu (171341)

“…The simulation results show that the mole fractions of C₂H₂, C₃H₃, C₅H₅, and BINs decrease significantly with methanol addition. …”

Mechanism Studies on the Chemical Stability of FIrpic, a Typical Blue Phosphorescent Emitter for Electroluminescence, in the Redox States by Weiqiang Wei (19728558)

“…This bond breakage leads to a nonemissive five-coordinated trigonal bipyramidal intermediate. …”

Mechanism Studies on the Chemical Stability of FIrpic, a Typical Blue Phosphorescent Emitter for Electroluminescence, in the Redox States by Weiqiang Wei (19728558)

“…This bond breakage leads to a nonemissive five-coordinated trigonal bipyramidal intermediate. …”

Mechanism Studies on the Chemical Stability of FIrpic, a Typical Blue Phosphorescent Emitter for Electroluminescence, in the Redox States by Weiqiang Wei (19728558)

“…This bond breakage leads to a nonemissive five-coordinated trigonal bipyramidal intermediate. …”

Mechanism Studies on the Chemical Stability of FIrpic, a Typical Blue Phosphorescent Emitter for Electroluminescence, in the Redox States by Weiqiang Wei (19728558)

“…This bond breakage leads to a nonemissive five-coordinated trigonal bipyramidal intermediate. …”

Mechanism Studies on the Chemical Stability of FIrpic, a Typical Blue Phosphorescent Emitter for Electroluminescence, in the Redox States by Weiqiang Wei (19728558)

“…This bond breakage leads to a nonemissive five-coordinated trigonal bipyramidal intermediate. …”

Mechanism Studies on the Chemical Stability of FIrpic, a Typical Blue Phosphorescent Emitter for Electroluminescence, in the Redox States by Weiqiang Wei (19728558)

“…This bond breakage leads to a nonemissive five-coordinated trigonal bipyramidal intermediate. …”

Down-regulation of BjsR4 under tellurite and iron stresses, and impact of this down-regulation on survival at high iron concentration. by Julia Hahn (3279486)

“…<p><b>A)</b> The steady-state level of BjsR4 is decreased upon addition of tellurite. …”

Western blot analysis for Annexin A5 in melanoma cell lines and primary melanocytes. by Yoana Arroyo-Berdugo (223382)

“…<p>(A) Western blotting shows a decrease in Annexin A5 protein levels in melanoma cell lines with respect to primary melanocytes; γ-tubulin was used as the internal control. …”

Hibernation-state related tau phosphate net turnover in a decreasing (I-A, I-B) and increasing (II-A, II-B) temperature gradient. by Jens T. Stieler (232780)

miR-142-3p induces a change in cellular morphology. by Alexander Schwickert (835514)