Results 41 to 50 of about 9,273,531 (285)

In silico and in vitro exploration of a tyrosinase for biocatalytic production of catechols

open access: yesFEBS Open Bio, EarlyView.
Tyrosinase from Ralstonia pseudosolanacearum is a promising biocatalyst for producing valuable catechols from monophenol substrates. This tyrosinase is uniquely suited to this due to its high monophenolase : diphenolase ratio. We combined in silico docking and in vivo kinetic characterisation of this tyrosinase with 11 industrially relevant monophenols,
James Britton   +6 more
wiley   +1 more source

Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex

open access: yesMolecules, 2020
The most stable isomer of the 1:1 complex formed by 2,2,2-trifluoroacetophenone and water has been characterized by combining rotational spectroscopy in supersonic expansion and state-of-the-art quantum-chemical computations.
Juncheng Lei   +7 more
doaj   +1 more source

Bioinspired Co‐Assembly Enables Multiscale Architected Hydrogels for 3D Printing With Integrated Antibacterial and Bioactive Functions

open access: yesAdvanced Functional Materials, EarlyView.
A multicomponent supramolecular hydrogel integrating cell‐adhesive and antibacterial peptides within an alginate‐cellulose nanofibril matrix is developed. Peptide co‐assembly simultaneously strengthens the hydrogel network, improves extrusion printability, and imparts cell‐adhesive and antibacterial functions, offering a versatile platform for ...
Mor Tsuriano‐Zernichov   +4 more
wiley   +1 more source

Local Vibrational Mode Analysis of π–Hole Interactions between Aryl Donors and Small Molecule Acceptors

open access: yesCrystals, 2020
11 aryl–lone pair and three aryl–anion π –hole interactions are investigated, along with the argon–benzene dimer and water dimer as reference compounds, utilizing the local vibrational mode theory, originally introduced by Konkoli and Cremer, to ...
Seth Yannacone   +4 more
doaj   +1 more source

Donor‐Engineered Chiral Indium–Salen Complexes for Tunable Circularly Polarized Luminescence

open access: yesAdvanced Functional Materials, EarlyView.
Chiral indium–salen complexes bearing electronically and structurally diverse donor substituents are presented as modular main‐group luminophores exhibiting tunable blue‐to‐green circularly polarized luminescence. Donor engineering systematically controls frontier‐orbital distribution, intraligand charge transfer, and excited‐state relaxation ...
Haein Kim   +14 more
wiley   +1 more source

Oligoethylene Glycol Side‐Chain Engineering of Y6‐Derived Nonfullerene Acceptors for Thermally Induced Spontaneous Pseudo‐Planar Heterojunction Organic Photodetectors

open access: yesAdvanced Functional Materials, EarlyView.
OEG‐functionalized Y6‐derived acceptors induce thermally driven vertical phase separation, enabling pseudo‐planar heterojunction organic photodetectors. The resulting PM6:YTEG‐4F and PM6:YTEG‐4Cl organic photodetectors suppress dark current density by approximately 260‐fold and 210‐fold, respectively, while maintaining efficient photoresponse ...
Se Jeong Park   +11 more
wiley   +1 more source

Substituent effects in aromatic detritiation reactions.

open access: yes, 1963
The literature on substituent effects in electrophilic aromatic hydrogen exchange reactions and in naphthalene compounds is reviewed A number of halogen-and methyl- (or methoxyl-) substituted benzenes, labelled with tritium in specific positions, and of
Robert Ernest. Spillett (7660892)
core   +6 more sources

Heterolepic β‐Ketoiminate Zinc Phenoxide Complexes as Efficient Catalysts for the Ring Opening Polymerization of Lactide

open access: yesChemistryOpen, 2019
Zinc phenoxide complexes L1ZnOAr 1–4 (L1=Me2NC2H4NC(Me)CHC(Me)O) and L2ZnOAr 5–8 (L2=Me2NC3H6NC(Me)CHC(Me)O) with donor‐functionalized β‐ketoiminate ligands (L1/2) and OAr substituents (Ar=Ph 1, 5; 2,6‐Me2‐C6H3 2, 6; 3,5‐Me2‐C6H3 3, 7; 4‐Bu‐C6H4 4, 8 ...
Dr. Swarup Ghosh   +12 more
doaj   +1 more source

A Theoretical Study of the Relationship between the Electrophilicity ω Index and Hammett Constant σp in [3+2] Cycloaddition Reactions of Aryl Azide/Alkyne Derivatives

open access: yesMolecules, 2016
The relationship between the electrophilicity ω index and the Hammett constant σp has been studied for the [2+3] cycloaddition reactions of a series of para-substituted phenyl azides towards para-substituted phenyl alkynes. The electrophilicity ω index—a
Hicham Ben El Ayouchia   +5 more
doaj   +1 more source

Ground‐State Charge‐Transfer Doping in Donor–Acceptor Semiconducting Polymers

open access: yesAdvanced Functional Materials, EarlyView.
This work demonstrates controlled ground‐state charge‐transfer complex formation (GS‐CTC) and doping in a series of diketopyrrolopyrrole‐based donor–acceptor semiconducting polymers paired with a π‐conjugated penta‐t‐butylpentacyanopentabenzo[25]annulene “cyanostar” macrocycle. Complementary experimental techniques show how subtle molecular, electronic,
Tanner L. Smith   +13 more
wiley   +1 more source

Home - About - Disclaimer - Privacy