Isomerization ≈ Isomerization
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Classifications, properties, recent synthesis and applications of azo dyes Open
In this work, we have presented a very detailed review of the different classification of azo dyes as a function of the number of azo groups and the appropriate functional groups. Then we pointed out some chemical properties of these dyes …
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Shared Molecular Mechanisms of Membrane Transporters Open
The determination of the crystal structures of small-molecule transporters has shed light on the conformational changes that take place during structural isomerization from outward- to inward-facing states. Rather than using a simple rocki…
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How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements? Open
The 14 Minnesota density functionals published between the years 2005 and early 2016 are benchmarked on a comprehensive database of 4986 data points (84 data sets) involving molecules composed of main-group elements. The database includes …
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Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein Open
Visualizing a response to light Many biological processes depend on detecting and responding to light. The response is often mediated by a structural change in a protein that begins when absorption of a photon causes isomerization of a chr…
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Conversion of Methanol to Olefins over H-ZSM-5 Zeolite: Reaction Pathway Is Related to the Framework Aluminum Siting Open
As the conversion of methanol to olefins (MTO) over a zeolite catalyst is conducted on acid sites derived from framework aluminum (AlF), it is possible to enhance the catalytic performance by altering the siting of AlF if one knows the cat…
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Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design Open
Photoswitchable compounds, which can be reversibly switched between two isomers by light, continue to attract significant attention for a wide array of applications. Azoheteroarenes represent a relatively new but understudied type of photo…
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Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser Open
Look fast Organisms from bacteria to humans sense and react to light. Proteins that contain the light-sensitive molecule retinal couple absorption of light to conformational changes that produce a signal or move ions across a membrane. Nog…
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Catalytic deconstruction of waste polyethylene with ethylene to form propylene Open
The conversion of polyolefins to monomers would create a valuable carbon feedstock from the largest fraction of waste plastic. However, breakdown of the main chains in these polymers requires the cleavage of carbon–carbon bonds that tend t…
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Photoresponsive supramolecular coordination polyelectrolyte as smart anticounterfeiting inks Open
While photoluminescence printing is a widely applied anticounterfeiting technique, there are still challenges in developing new generation anticounterfeiting materials with high security. Here we report the construction of a photoresponsiv…
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Catalytic Isomerization of Biomass‐Derived Aldoses: A Review Open
Selected aldohexoses ( d ‐glucose, d ‐mannose, and d ‐galactose) and aldopentoses ( d ‐xylose, l ‐arabinose, and d ‐ribose) are readily available components of biopolymers. Isomerization reactions of these substances are very attractive as…
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<sup>3</sup>d-d Excited States of Ni(II) Complexes Relevant to Photoredox Catalysis: Spectroscopic Identification and Mechanistic Implications Open
Synthetic organic chemistry has seen major advances due to the merger of nickel and photoredox catalysis. A growing number of Ni-photoredox reactions are proposed to involve generation of excited nickel species, sometimes even in the absen…
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“Ab initio” synthesis of zeolites for preestablished catalytic reactions Open
Start with the transition state Zeolites catalyze a wide range of industrial reactions, but identifying the reactions that they catalyze well tends to be done by trial and error. Gallego et al. propose a way to rationalize the process by u…
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A Redox Strategy for Light-Driven, Out-of-Equilibrium Isomerizations and Application to Catalytic C–C Bond Cleavage Reactions Open
We report a general protocol for the light-driven isomerization of cyclic aliphatic alcohols to linear carbonyl compounds. These reactions proceed via proton-coupled electron-transfer activation of alcohol O-H bonds followed by subsequent …
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Engineering a Highly Defective Stable UiO-66 with Tunable Lewis- Brønsted Acidity: The Role of the Hemilabile Linker Open
The stability of metal-organic frameworks (MOFs) typically decreases with an increasing number of defects, limiting the number of defects that can be created and limiting catalytic and other applications. Herein, we use a hemilabile (Hl) l…
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Rational design of small molecule fluorescent probes for biological applications Open
Guidelines based on photophysical tuning, reactivity, isomerization, and energy transfer for rational design of synthetic fluorescent probes for biological systems.
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Cyclobutanes in Small‐Molecule Drug Candidates Open
Cyclobutanes are increasingly used in medicinal chemistry in the search for relevant biological properties. Important characteristics of the cyclobutane ring include its unique puckered structure, longer C−C bond lengths, increased C−C π‐c…
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Isomerization strategy on a non-fullerene guest acceptor for stable organic solar cells with over 19% efficiency Open
Isomeric non-fullerene acceptor guest with large π-conjugation skeleton is used to construct stable organic solar cells with efficiencies over 19%.
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Enantioselective Nickel-Catalyzed <i>anti</i>-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel <i>E</i>/<i>Z</i> Isomerization Open
Nickel-catalyzed additions of arylboronic acids to alkynes, followed by enantioselective cyclizations of the alkenylnickel species onto tethered ketones or enones, are reported. These reactions are reliant upon the formal anti-carbonickela…
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Transition metal-catalyzed alkene isomerization as an enabling technology in tandem, sequential and domino processes Open
One-pot reactions based on catalytic isomerization of alkenes not only offer the inherent advantages of atom-, step- and redox-economy but also enable the preparation of value-added products that would be difficult to access by conventiona…
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From nanoscopic to macroscopic photo-driven motion in azobenzene-containing materials Open
The illumination of azobenzene molecules with UV/visible light efficiently converts the molecules between trans and cis isomerization states. Isomerization is accompanied by a large photo-induced molecular motion, which is able to signific…
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Stiff‐Stilbene Photoswitches: From Fundamental Studies to Emergent Applications Open
Stiff‐stilbene, a sterically restricted fused ring analogue of stilbene, has been regularly used as a model compound in theoretical studies of stilbene photoisomerization. Lately, owing to its excellent photoswitching properties, it is inc…
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Engineering of Norbornadiene/Quadricyclane Photoswitches for Molecular Solar Thermal Energy Storage Applications Open
ConspectusRenewable energy resources are mostly intermittent and not evenly distributed geographically; for this reason, the development of new technologies for energy storage is in high demand.Molecules that undergo photoinduced isomeriza…
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Continuous synthesis of 5-hydroxymethylfurfural from glucose using a combination of AlCl3 and HCl as catalyst in a biphasic slug flow capillary microreactor Open
5-Hydroxymethylfurfural (HMF) was synthesized from glucose in a slug flow capillary microreactor, using a combination of AlCl3 and HCl as the homogeneous catalyst in the aqueous phase and methyl isobutyl ketone as the organic phase for in-…
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Synthetic and Therapeutic Applications of Ammonia-lyases and Aminomutases Open
Ammonia-lyases and aminomutases are mechanistically and structurally diverse enzymes which catalyze the deamination and/or isomerization of amino acids in nature by cleaving or shifting a C-N bond. Of the many protein families in which the…
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Conformational photoswitching of a synthetic peptide foldamer bound within a phospholipid bilayer Open
Synthetic twists among lipids Proteins embedded in cell membranes perform a wide variety of signaling and transport functions through conformational shifts. De Poli et al. examined how a much smaller, simpler construct might begin to achie…
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Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction Open
Organic peroxy radicals (RO2), formed from the degradation of hydrocarbons and other volatile organic compounds (VOCs), play a key role in tropospheric oxidation mechanisms. Several competing reactions may be available for a given RO2 radi…
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Photoswitchable catalysis based on the isomerisation of double bonds Open
Photoswitchable catalysis is a young but rapidly evolving field that offers great potential for non-invasive dynamic control of both activity and selectivity in catalysis. This Feature Article summarises the key developments accomplished o…
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Unraveling the Photoswitching Mechanism in Donor–Acceptor Stenhouse Adducts Open
Molecular photoswitches have opened up a myriad of opportunities in applications ranging from responsive materials and control of biological function to molecular logics. Here, we show that the photoswitching mechanism of donor-acceptor St…
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Mechanistic Interplay between Light Switching and Guest Binding in Photochromic [Pd<sub>2</sub>Dithienylethene<sub>4</sub>] Coordination Cages Open
Photochromic [Pd$_2$L$_4$] coordination cages based on dithienylethene (DTE) ligands L allow triggering guest uptake and release by irradiation with light of different wavelengths. The process involves four consecutive electrocyclic reacti…
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Controllable Isomerization of Alkenes by Dual Visible‐Light‐Cobalt Catalysis Open
We report herein that thermodynamic and kinetic isomerization of alkenes can be accomplished by the combination of visible light with Co catalysis. Utilizing Xantphos as the ligand, the most stable isomers are obtained, while isomerizing t…