Charge Distribution in Cationic Molybdenum Imido Alkylidene <i>N</i>‑Heterocyclic Carbene Complexes: A Combined X‑ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach by Mathis Benedikter (9726148)

“…The binding situation in the corresponding cationic complexes Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­(NHC)­(OC­(CF₃)₃)⁺ B­(Ar^F)₄^– (NHC = IMes (<b>1</b>), IMesCl₂ (<b>2</b>), IMesMe₂ (<b>3</b>), and IMesH₂ (<b>4</b>) was compared to that of the analogous neutral Schrock catalyst Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­((OC­(CF₃)₃))₂ (<b>5</b>). Single-crystal X-ray data were used as a starting point for the optimization of the geometries of the catalysts at the PBE0-D3BJ/def2-SVP level of theory; the obtained data were compared to those obtained from X-ray absorption (XAS) and emission spectroscopy (XES). …”

Charge Distribution in Cationic Molybdenum Imido Alkylidene <i>N</i>‑Heterocyclic Carbene Complexes: A Combined X‑ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach by Mathis Benedikter (9726148)

“…The binding situation in the corresponding cationic complexes Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­(NHC)­(OC­(CF₃)₃)⁺ B­(Ar^F)₄^– (NHC = IMes (<b>1</b>), IMesCl₂ (<b>2</b>), IMesMe₂ (<b>3</b>), and IMesH₂ (<b>4</b>) was compared to that of the analogous neutral Schrock catalyst Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­((OC­(CF₃)₃))₂ (<b>5</b>). Single-crystal X-ray data were used as a starting point for the optimization of the geometries of the catalysts at the PBE0-D3BJ/def2-SVP level of theory; the obtained data were compared to those obtained from X-ray absorption (XAS) and emission spectroscopy (XES). …”

Charge Distribution in Cationic Molybdenum Imido Alkylidene <i>N</i>‑Heterocyclic Carbene Complexes: A Combined X‑ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach by Mathis Benedikter (9726148)

“…The binding situation in the corresponding cationic complexes Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­(NHC)­(OC­(CF₃)₃)⁺ B­(Ar^F)₄^– (NHC = IMes (<b>1</b>), IMesCl₂ (<b>2</b>), IMesMe₂ (<b>3</b>), and IMesH₂ (<b>4</b>) was compared to that of the analogous neutral Schrock catalyst Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­((OC­(CF₃)₃))₂ (<b>5</b>). Single-crystal X-ray data were used as a starting point for the optimization of the geometries of the catalysts at the PBE0-D3BJ/def2-SVP level of theory; the obtained data were compared to those obtained from X-ray absorption (XAS) and emission spectroscopy (XES). …”

Charge Distribution in Cationic Molybdenum Imido Alkylidene <i>N</i>‑Heterocyclic Carbene Complexes: A Combined X‑ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach by Mathis Benedikter (9726148)

“…The binding situation in the corresponding cationic complexes Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­(NHC)­(OC­(CF₃)₃)⁺ B­(Ar^F)₄^– (NHC = IMes (<b>1</b>), IMesCl₂ (<b>2</b>), IMesMe₂ (<b>3</b>), and IMesH₂ (<b>4</b>) was compared to that of the analogous neutral Schrock catalyst Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­((OC­(CF₃)₃))₂ (<b>5</b>). Single-crystal X-ray data were used as a starting point for the optimization of the geometries of the catalysts at the PBE0-D3BJ/def2-SVP level of theory; the obtained data were compared to those obtained from X-ray absorption (XAS) and emission spectroscopy (XES). …”

Charge Distribution in Cationic Molybdenum Imido Alkylidene <i>N</i>‑Heterocyclic Carbene Complexes: A Combined X‑ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach by Mathis Benedikter (9726148)

“…The binding situation in the corresponding cationic complexes Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­(NHC)­(OC­(CF₃)₃)⁺ B­(Ar^F)₄^– (NHC = IMes (<b>1</b>), IMesCl₂ (<b>2</b>), IMesMe₂ (<b>3</b>), and IMesH₂ (<b>4</b>) was compared to that of the analogous neutral Schrock catalyst Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­((OC­(CF₃)₃))₂ (<b>5</b>). Single-crystal X-ray data were used as a starting point for the optimization of the geometries of the catalysts at the PBE0-D3BJ/def2-SVP level of theory; the obtained data were compared to those obtained from X-ray absorption (XAS) and emission spectroscopy (XES). …”

Charge Distribution in Cationic Molybdenum Imido Alkylidene <i>N</i>‑Heterocyclic Carbene Complexes: A Combined X‑ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach by Mathis Benedikter (9726148)

“…The binding situation in the corresponding cationic complexes Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­(NHC)­(OC­(CF₃)₃)⁺ B­(Ar^F)₄^– (NHC = IMes (<b>1</b>), IMesCl₂ (<b>2</b>), IMesMe₂ (<b>3</b>), and IMesH₂ (<b>4</b>) was compared to that of the analogous neutral Schrock catalyst Mo­(<i>N</i>-2,6-Me₂C₆H₃)­(CHCMe₂Ph)­((OC­(CF₃)₃))₂ (<b>5</b>). Single-crystal X-ray data were used as a starting point for the optimization of the geometries of the catalysts at the PBE0-D3BJ/def2-SVP level of theory; the obtained data were compared to those obtained from X-ray absorption (XAS) and emission spectroscopy (XES). …”

Excitation and metabolic cycle of rhodopsin depending on the use of the blue-blocking filter. by Javier Vicente-Tejedor (4966858)

A Ligand-Based Drug Design. Discovery of 4‑Trifluoromethyl-7,8-pyranocoumarin as a Selective Inhibitor of Human Cytochrome P450 1A2 by Jiawang Liu (1330971)

“…With a 5 min preincubation in the presence of NADPH, 0.01 μM 7,8-furanoflavone completely inactivates P450 1A2 but does not influence the activities of P450s 1A1 and 1B1. …”

hMp84 stimulates the formation of Reactive Oxygen Species (ROS) and induces oxidative alterations of phospholipids in HT-144 melanoma cells. by Daniele Moretti (379766)

Photoreceptor cell death and protective effect of the blue-blocking filter on cone photoreceptors. by Javier Vicente-Tejedor (4966858)

Changes in the SF change rate every 5 s in Experiment 1. by Hiroaki Furukawa (14341649)

“…Compared to no footsteps condition (NF), the step frequency seems to decrease in the +5 bpm (A) and -5 bpm (B) footsteps condition but there were no significant differences between these conditions.…”

Immunohistochemistry (IMH) and hybridization (ISH) of synovial tissues for BMP-5 by Carsten P Bramlage (18991)

P-selectin mediates leukocyte rolling in the parietal peritoneum microcirculation. by Paulina M. Kowalewska (625078)

Effects of temperature on QRS interval and V_max. by Roland Kienast (4370203)

“…The cooling-induced decrease of V_max for all cellular regions is obvious. …”

Quantifying the demographic cost of human-related mortality to a raptor population by W. Grainger Hunt (375336)

“…Occupancy surveys 5 and 13 years later (2005 and 2013) showed that the nesting population remained intact, and no upward trend was apparent in the proportion of subadult eagles as pair members, a condition that would have suggested a deficit of adult replacements. …”

Neutrophil elastase reduces host tolerance to infection with <i>B. pseudomallei</i>. by Manoranjan Sahoo (189969)

Investigating the Mechanism of Hyperglycemia-Induced Fetal Cardiac Hypertrophy by Sha-sha Han (801205)

“…PH3 immunofluorescent staining of mouse fetal hearts and <i>in vitro</i>-cultured H9c2 cells indicated that cell proliferation decreased in E18.5, E15.5 and E13.5 mice, and cell apoptosis in H9c2 cells increased in the presence of high glucose in a dose-dependent manner. …”

Neutrophil elastase causes lung tissue damage during infection with <i>Burkholderia</i> species. by Manoranjan Sahoo (189969)

Number of surviving photoreceptors under different experimental lighting conditions. by Javier Vicente-Tejedor (4966858)

Effect of mir-20a changes on EA.hy926 capillary-like structure formation. by Gines Luengo-Gil (5059052)