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Journal of Biomolecular Structure and Dynamics, ISSN 0739-1102, 02/2020, Volume 38, Issue 3, pp. 635 - 646
Cucurbitacin E (CurE) modulates actin cytoskeleton by forming an irreversible covalent bond with Cys257 of actin. The reported binding conformation of CurE is... 
steered molecular dynamics | actin | umbrella sampling | Caver | Cucurbitacin E | MM/PBSA
Journal Article
Chemical Reviews, ISSN 0009-2665, 10/2017, Volume 117, Issue 19, pp. 12357 - 12384
The alkyl group is the most common component of organic molecules and the most difficult to selectively functionalize. The development of catalysts for... 
SATURATED-HYDROCARBONS | CARBON-HYDROGEN-BOND | ETHANE DEHYDROGENATION | HIGHLY-ACTIVE CATALYSTS | IRIDIUM COMPLEXES | UPGRADING LIGHT-HYDROCARBONS | SQUARE-PLANAR COMPLEXES | FISCHER-TROPSCH PROCESS | C-H ACTIVATION | CATALYZED AEROBIC DEHYDROGENATION | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
European Journal of Organic Chemistry, ISSN 1434-193X, 10/2019, Volume 2019, Issue 40, pp. 6855 - 6866
We report the use of ruthenium–NNN‐pincer complexes of the type (R2NNN)RuCl2(PPh3) (R = tBu, iPr, Cy and Ph) for the catalytic N‐alkylation of primary amines... 
Pincer complexes | Ruthenium | Dehydrogenation | Homogeneous catalysis | Alkylation
Journal Article
Chemical Reviews, ISSN 0009-2665, 10/2017, Volume 117, Issue 19, p. 12357
The alkyl group is the most common component of organic molecules and the most difficult to selectively functionalize. The development of catalysts for... 
Catalysts | Alkenes | Metals | Hydrocarbons | Alkanes | Selectivity | Hydrogenation | Substrates | Aliphatic compounds | Molecules | Organic chemistry | Dehydrogenation | Chemists | Catalysis | Coordination compounds | Metal complexes
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 1900, Volume 137, Issue 31, pp. 9894 - 9911
We report the transfer-dehydrogenation of gas-phase alkanes catalyzed by solid-phase, molecular, pincer-ligated iridium catalysts, using ethylene or propene as... 
H BOND ACTIVATION | ORBITAL METHODS | ALKENE ISOMERIZATION | ETHANE DEHYDROGENATION | CATALYTIC DEHYDROGENATION | EFFECTIVE CORE POTENTIALS | COMPLEXES | BASIS-SETS | ACTIVE CATALYSTS | DFT CALCULATIONS | CHEMISTRY, MULTIDISCIPLINARY | Dehydrogenation | Olefins | Alkanes | Chemical properties | Research | Catalysis | Iridium
Journal Article
Topics in Organometallic Chemistry, ISSN 1436-6002, 2015, Volume 54, pp. 307 - 334
Journal Article
Catalysis Communications, ISSN 1566-7367, 02/2016, Volume 75, pp. 98 - 102
The reactions of 1-pentene over acid zeolites were investigated in the liquid phase at 473K. The primary reactions were isomerization, dimerization, and... 
1-pentene | Cracking | Ferrierite | Oligomerization | Zeolite | Dimerization | PROPENE | LIQUID | ISOMERIZATION | CHEMISTRY, PHYSICAL | CATALYTIC CRACKING | 1-BUTENE | ALKENE OLIGOMERIZATION | CHEMISTRY | OLEFINS | OXIDATIVE DEHYDROGENATION | Oligomers | Zeolites | Isomerization | Olefins | Butylene
Journal Article
Organometallics, ISSN 0276-7333, 06/2016, Volume 35, Issue 11, pp. 1613 - 1623
The species (R4PCP)Ir are found to effect a double C–H activation addition of biphenyl or phenanthrene to give the corresponding cyclometalated complexes... 
CATALYZED ASYMMETRIC HYDROGENATION | DEHYDROGENATION | MECHANISM | ALKENE HYDROGENATION | IRIDIUM COMPLEXES | CHEMISTRY, ORGANIC | BOND ACTIVATION | OXIDATIVE ADDITION | ENERGY BARRIERS | CLEAVAGE | METAL-COMPLEXES | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Journal of Molecular Catalysis. A, Chemical, ISSN 1381-1169, 01/2017, Volume 426, pp. 368 - 375
[Display omitted] •Pincer-iridium complexes catalyze dehydrogenation of n-pentane to give piperylene.•Less-bulky pincer ligands are much more effective (e.g.... 
Catalytic alkane conversion | Alkane dehydrogenation | Pincer-Iridium complexes | C[sbnd]H bond activation | Dienes | CONVERSION | THERMOCHEMICAL ALKANE DEHYDROGENATION | C-H bond activation | CHEMISTRY | CHEMISTRY, PHYSICAL | ACTIVE CATALYSTS | METATHESIS | N-ALKANES | Dehydrogenation
Journal Article
Tetrahedron, ISSN 0040-4020, 05/2014, Volume 70, Issue 19, pp. 3185 - 3190
Aldimines react with reducing agents, such as Grignards, phenylsilane or zinc in the presence of titanium(IV) isopropoxide to form amines and reductively... 
Deuterium labeling | Low valent titanium | Phenylsilane | Grignard | Zinc | REAGENTS | COMPLEXES | CHEMISTRY, ORGANIC | STRUCTURAL-CHARACTERIZATION | DIMERIZATION | ALKYNES | LIGANDS | SCHIFF-BASES | COUPLING REACTION | METAL | GENERATION | Schiff bases | Hydrogen | Silane | Deuterium | Silanes | Reduction | Amines | Imines | Titanium | Reducing agents
Journal Article
IOP Conference Series: Materials Science and Engineering, ISSN 1757-8981, 04/2018, Volume 346, p. 12028
Journal Article
IOP Conference Series: Materials Science and Engineering, ISSN 1757-8981, 05/2018, Volume 346, Issue 1
Conference Proceeding
ACS Catalysis, ISSN 2155-5435, 05/2016, Volume 6, Issue 5, pp. 2836 - 2841
We report that pincer-ligated iridium catalysts for alkane dehydrogenation can operate in tandem with zeolite catalysts for arene–alkene coupling, to effect... 
C-C coupling | zeolite | C-H activation | tandem catalysis | alkane dehydrogenation | pincer ligand | dehydrogenative cross-coupling | MECHANISM | THERMOCHEMICAL ALKANE DEHYDROGENATION | STRATEGY | CHEMISTRY, PHYSICAL | N-ALKANES | MOLECULES | H BOND ACTIVATION | FUNCTIONALIZATION | CHEMISTRY | METATHESIS | ACCEPTOR
Journal Article
Chemistry – An Asian Journal, ISSN 1861-4728, 08/2010, Volume 5, Issue 8, pp. 1830 - 1837
Journal Article
Journal of Organometallic Chemistry, ISSN 0022-328X, 2010, Volume 695, Issue 3, pp. 338 - 345
Journal Article
Journal of Chemical Sciences, ISSN 0974-3626, 11/2012, Volume 124, Issue 6, pp. 1343 - 1352
Journal Article