Results 171 to 180 of about 36,815 (253)

50th anniversary of the Stanford SSRL synchrotron radiation and protein crystallography initiative. [PDF]

J Synchrotron Radiat
Helliwell JR, Nave C, Szebenyi DM.
europepmc   +1 more source

Diffusion of Carbamazepine in Hydrophobic Zeolites: A Comparative Study Using Classical and Machine‐Learned Potentials

Chemistry – A European Journal, EarlyView.
Can hydrophobic, shape‐selective zeolites efficiently remove the persistent pharmaceutical CBZ from water? This work moves beyond the static picture of interaction energies by modeling diffusion with umbrella sampling and machine‐learned potentials. Even high intrinsic diffusion barriers can be overcome through exergonic adsorption from water, yielding
Jakob Brauer, Richard Kendra, Carlos Bornes, Lukáš Grajciar, Michael Fischer   +4 more
wiley   +1 more source

Automated microbatch-under-oil phase diagrams to rationalize serial crystallography sample preparation. [PDF]

IUCrJ
Stubbs J, Tremlett CJ, Waitman A, Harmer NJ, Orville AM, Tews I, Kolek S, Shaw Stewart PD.   +7 more
europepmc   +1 more source

Stereoselective Higher‐Order [10+4]‐ and [10+6] Cycloadditions Between Two Highly Unsaturated and Ambiphilic π‐Addends

Chemistry – A European Journal, EarlyView.
Aminocatalytically generated isobenzofulvenes and 3‐oxidopyridinium betaines act as ambiphilic reaction partners in orbital‐symmetry‐allowed [10+4] cycloadditions or formally symmetry‐forbidden concerted thermal [10+6] cycloadditions. The reaction furnishes three cycloadducts: one [10+4] cycloadduct and two regioisomeric [10+6] cycloadducts.
Jonas Faghtmann, Anne Kristensen, Fabien Fritz, Signe Sofie Pladsbjerg Andresen, Anne Rask Østergaard, Johannes Nygaard Lamhauge, K. N. Houk, Karl Anker Jørgensen   +7 more
wiley   +1 more source

Catalytic Generation of Cationic Gold Carbene Complexes From 7‐Alkynylnorbornadienes and Their Intermolecular Cyclopropanation With Alkenes

Chemistry – A European Journal, EarlyView.
Efficient cationic gold(I)‐catalyzed intermolecular cyclopropanation of 7‐alkynylnorbornadiene derivatives has been developed. This methodology offers the synthesis of a new class of norbornene derivatives in high yield with excellent diastereoselectivity.
Kento Ishida, Kenta Toei, Fumiaki Tomi, Norio Sakai   +3 more
wiley   +1 more source

Decision-making in serial crystallography: a simple test to quickly determine whether sufficient data have been collected. [PDF]

Acta Crystallogr D Struct Biol
von Stetten D, Pearson AR.
europepmc   +1 more source

The Role of Iron‐Hyponitrite Intermediates in Biology and Insights From Synthetic Model Complexes

Chemistry – A European Journal, EarlyView.
Despite the difference in active site architecture, NO reduction by different NOR enzymes is expected to be linked by a common intermediate: hyponitrite (N2O22−). However, experimentally, very little is known about the coordination chemistry of iron with hyponitrite and the expected Fe‐hyponitrite intermediates.
Michael O. Lengel, Nicolai Lehnert
wiley   +1 more source

The RATIO method for time-resolved Laue crystallography

The RATIO method for time-resolved Laue crystallography
identifier:oai:t2r2.star.titech.ac.jp ...
openaire   +1 more source

Quantum Biology Using Ultrafast Integrative and Molecular Engineering Tools: A Perspective. [PDF]

Comput Struct Biotechnol J
Khakurel KP, Fuertes G, Žoldák G.
europepmc   +1 more source

Ultra‐Wideline 2D Correlations Among Low‐γ Species in Solid‐State NMR via the Progressive Saturation of a Common Proton Reservoir

Chemistry – A European Journal, EarlyView.
This study introduces PROSPECT, a 2D solid‐state NMR method that correlates MHz‐wide, low‐γ anisotropic powder patterns. PROSPECT operates by progressively depleting a shared 1H dipolar‐order reservoir via two independently stepped cross‐polarizing offsets, yielding homonuclear and heteronuclear correlations without requiring direct transfers or even ...
Rihards Aleksis, Lucio Frydman
wiley   +1 more source