Now showing items 83-102 of 1002

• #### Calculating splittings between energy levels of different symmetry using path-integral methods ﻿

(American Institute of Physics, 2016-03-18)
It is well known that path-integral methods can be used to calculate the energy splitting between the ground and the first excited state. Here we show that this approach can be generalized to give the splitting patterns ...
• #### Callipeltosides A, B & C: Total Syntheses and Structural Confirmation ﻿

(Wiley, 2015-07-31)
Since their isolation almost 20 years ago, the callipeltosides have been of long standing interest to the synthetic community owing to their unique structural features and inherent biological activity. Herein we present ...
• #### Carbon dots as photosensitisers for solar-driven catalysis ﻿

(RSC, 2017-06-30)
Artificial photosynthesis is the mimicry of the natural process of solar energy conversion into chemical energy carriers. Photocatalytic systems that combine light-harvesting materials and catalysts in solution or suspension ...
• #### Carbon Dots as Versatile Photosensitizers for Solar-Driven Catalysis with Redox Enzymes ﻿

(American Chemical Society, 2016-12-28)
Light-driven enzymatic catalysis is enabled by the productive coupling of a protein to a photosensitizer. Photosensitizers used in such hybrid systems are typically costly, toxic, and/or fragile, with limited chemical ...
• #### Carbon Nitride-TiO2 Hybrid Modified with Hydrogenase for Visible Light Driven Hydrogen Production ﻿

(Royal Society of Chemistry, 2015-06-29)
A system consisting of a [NiFeSe]-hydrogenase (H2ase) grafted on the surface of a TiO2 nanoparticle modified with polyheptazine carbon nitride polymer, melon (CNx) is reported. This semi biological assembly shows a turnover ...
• #### Catalytic enantioselective Minisci-type addition to heteroarenes. ﻿

(2018-04-05)
Basic heteroarenes are a ubiquitous feature of pharmaceuticals and bioactive molecules, and Minisci-type additions of radical nucleophiles are a leading method for their elaboration. Despite many Minisci-type protocols ...
• #### Catechol-TiO₂ hybrids for photocatalytic H₂ production and photocathode assembly ﻿

(Royal Society of Chemistry, 2017-12-07)
Visible-light driven H₂ evolution in water is achieved using catechol-photosensitised TiO₂ nanoparticles with a molecular nickel catalyst. Layer-by-layer immobilisation of catechol-TiO₂ onto tin-doped indium oxide electrodes ...
• #### A cautionary tale: A study of a methane enhancement over the North Sea ﻿

(William Byrd Press for John Hopkins Press, 2017-07-27)
Airborne measurements of a methane (CH4) plume over the North Sea from August 2013 are analyzed. The plume was only observed downwind of circumnavigated gas fields, and three methods are used to determine its source. First, ...
• #### Challenges and discoveries in the total synthesis of complex polyketide natural products ﻿

Structurally complex polyketide natural products, isolated from a variety of marine and terrestrial sources, continue to provide a valuable source of rewarding targets for the synthetic chemist to tackle. In this account, ...
• #### Characterising an Extractive Electrospray Ionisation (EESI) source for the online mass spectrometry analysis of organic aerosols ﻿

(ACS, 2013-05-28)
Organic compounds comprise a major fraction of tropospheric aerosol and understanding their chemical complexity is a key factor for determining their climate and health effects. We present and characterise here a new online ...
• #### Characterization of the Dynamics in the Protonic Conductor CsH2PO4 by 17O Solid-State NMR Spectroscopy and First-Principles Calculations: Correlating Phosphate and Protonic Motion ﻿

(ACS, 2015-03-03)
17O NMR spectroscopy combined with first-principles calculations was employed to understand the local structure and dynamics of the phosphate ions and protons in the paraelectric phase of the proton conductor CsH2PO4. For ...
• #### Characterization of the Folding of a 5$_{2}$-Knotted Protein Using Engineered Single-Tryptophan Variants ﻿

(Elsevier, 2016-12-20)
An increasing number of proteins that contain topological knots have been identified over the past two decades; however, their folding mechanisms are still not well understood. UCH-L1 has a 5$_{2}$-knotted topology. Here, ...
• #### Charge compensation at the interface between the polar NaCl(111) surface and a NaCl aqueous solution. ﻿

(AIP Publishing, 2017-09)
Periodic supercell models of electric double layers formed at the interface between a charged surface and an electrolyte are subject to serious finite size errors and require certain adjustments in the treatment of the ...
• #### Chemical biology on genomic DNA: minimizing PCR bias ﻿

(Royal Society of Chemistry, 2014-08-18)
The exquisite selectivity of chemical reactions enables the study of rare DNA bases. However, chemical modification of the genome can affect downstream analysis. We report a PCR bias caused by such modification, and exemplify ...
• #### Chemical vapour deposition of freestanding sub-60 nm graphene gyroids ﻿

(2017-12-18)
The direct chemical vapour deposition of freestanding graphene gyroids with controlled sub-60 nm unit cell sizes is demonstrated. Three-dimensional (3D) nickel templates were fabricated through electrodeposition into a ...

(2015-01)
• #### ChemicalTagger: A tool for semantic text-mining in chemistry ﻿

(2011-05-16)
AbstractBackgroundThe primary method for scientific communication is in the form of published scientific articles and theses which use natural language combined with domain-specific terminology. As such, they contain free ...
• #### Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge ﻿

(Wiley, 2015-03-10)
The Centre for Molecular Informatics, formerly Unilever Centre for Molecular Science Informatics (UCMSI), at the University of Cambridge is a world-leading driving force in the field of cheminformatics. Since its opening ...
• #### Chemo- and Regioselective Lysine Modification on Native Proteins. ﻿

(American Chemical Society, 2018-03-08)
Site-selective chemical conjugation of synthetic molecules to proteins expands their functional and therapeutic capacity. Current protein modification methods, based on both synthetic and biochemical technologies, can ...
• #### Chemoselective Continuous Ru-Catalyzed Hydrogen-transfer Oppenauer-type Oxidation of Secondary Alcohols ﻿

(American Chemical Society, 2017-08-04)
A continuous flow method for the selective oxidation of secondary alcohols is reported. The method is based on an Oppenauer-type ruthenium-catalyzed hydrogen-transfer process that uses acetone as both solvent and oxidant. ...