Now showing items 1-20 of 907

• #### 2'-$\textit{0}$-Methyl-5-hydroxymethylcytidine: A Second Oxidative Derivative of 5-Methylcytidine in RNA ﻿

(American Chemical Society, 2017-02-08)
5-Hydroxymethylcytidine (hm$^{5}$C) was recently identified as a direct metabolite of m$^{5}$C in RNA. We investigated the stability of hm$^{5}$C in human cells using bio-isotopologues and LC-MS/HRMS. This has led to the ...
• #### 2H and 27Al Solid-State NMR Study of the Local Environments in Aldoped 2-Line Ferrihydrite, Goethite, and Lepidocrocite ﻿

(American Chemical Society, 2015-05-13)
Although substitution of aluminum into iron oxides and oxyhydroxides has been extensively studied, it is difficult to obtain accurate incorporation levels. Assessing the distribution of dopants within these materials has ...
• #### 2′-Alkynylnucleotides: A Sequence- and Spin Label-Flexible Strategy for EPR Spectroscopy in DNA ﻿

(2016-07-27)
• #### 5-Formylcytosine alters the structure of the DNA double helix ﻿

(NPG, 2014-12-15)
The modified base 5-formylcytosine (5fC) was recently identified in mammalian DNA and might be considered to be the ‘seventh’ base of the genome. This nucleotide has been implicated in active demethylation mediated by the ...
• #### 5-Formylcytosine can be a stable DNA modification in mammals ﻿

(Nature Publishing Group, 2015-06-22)
5-formylcytosine (5fC) is a rare base found in mammalian DNA and thought to be involved in active DNA demethylation. Here, we show that developmental dynamics of 5fC levels in mouse DNA differ from those of 5-hydroxymethylcytosine ...
• #### 5-Hydroxymethylcytosine is a predominantly stable DNA modification ﻿

(Nature Publishing Group, 2014-09-21)
5-Hydroxymethylcytosine (hmC) is an oxidation product of 5-methylcytosine (mC) present in DNA of most mammalian cells. Reduction of hmC levels in DNA is a hallmark of cancers. Elucidating the dynamics of this oxidation ...
• #### Ab Initio Atom-Atom Potentials Using CAMCASP: Theory and Application to Many-Body Models for the Pyridine Dimer ﻿

(2016-07-28)
Creating accurate, analytic atom−atom potentials for small organic molecules from first principles can be a time-consuming and computationally intensive task, particularly if we also require them to include explicit ...
• #### Ab Initio Molecular-Dynamics Simulation of Neuromorphic Computing in Phase-Change Memory Materials ﻿

(ACS, 2015-06-23)
[Images - see article] We present an in silico study of the neuromorphic-computing behavior of the prototypical phase-change material, Ge2Sb2Te5, using ab initio molecular-dynamics simulations. Stepwise changes in structural ...
• #### Ab initio structure search and in situ 7Li NMR studies of discharge products in the Li-S battery system ﻿

(American Chemical Society, 2014-11-10)
The high theoretical gravimetric capacity of the Li–S battery system makes it an attractive candidate for nu-merous energy storage applications. In practice, cell performance is plagued by low practical capacity and poor ...
• #### Access to the Meta Position of Arenes through Transition Metal Catalysed C-H Bond Functionalisation: A Focus on Metals Other Than Palladium ﻿

(Royal Society of Chemistry, 2018-01-07)
The elaboration of simple arenes in order to access more complex substitution patterns is a crucial endeavor for synthetic chemists, given the central role that aromatic rings play in all manner of important molecules. ...

(2009-09)
• #### Adsorption of atmospheric gases on cementite 010 surfaces. ﻿

(AIP, 2017-05)
We study the adsorption of a series of small molecules on the nonstoichiometric {010} surface of cementite (θ-Fe3C) by means of first-principles calculations. We find that CO, N2, H2O, and CH4 prefer to adsorb over iron ...
• #### Adsorption of Sodium Hexanoate on α-Alumina ﻿

(Elsevier, 2013-06-27)
Neutron reflection and adsorption isotherm measurements have been used to study the adsorption behaviour of hexanoic acid onto α-alumina surfaces. Importantly, the pH dependence of the behaviour has been characterised with ...

(2016)
• #### Advances in Chemical Protein Modification ﻿

(ACS, 2015-02-20)
Chemical protein modification has emerged as an invaluable tool for the development of modified proteins. The complementary use of both genetic and chemical methods has provided a large toolbox that allows the preparation ...
• #### Affinity of IDPs to their targets is modulated by ion-specific changes in kinetics and residual structure ﻿

Intrinsically disordered proteins (IDPs) are characterized by a lack of defined structure. Instead, they populate ensembles of rapidly interconverting conformations with marginal structural stabilities. Changes in solution ...
• #### Aggregation of antibody drug conjugates at room temperature: SAXS and light scattering evidence for colloidal instability of a specific subpopulation ﻿

(2016-04-29)
Coupling a hydrophobic drug onto monoclonal antibodies via lysine residues is a common route to prepare antibody-drug conjugates (ADC), a promising class of biotherapeutics. But a few chemical modifications on protein ...