Six-Pulse RIDME Sequence to Avoid Background Artifacts

AbstractRelaxation induced dipolar modulation enhancement (RIDME) is a valuable method for measuring nanometer-scale distances between electron spin centers. Such distances are widely used in structural biology to study biomolecular structures and track their conformational changes. Despite significant improvements of RIDME in recent years, the background analysis of primary RIDME signals remains to be challenging. In particular, it was recently shown that the five-pulse RIDME signals contain an artifact which can hinder the accurate extraction of distance distributions from RIDME time traces [as reported by Ritsch et al. (Phys Chem Chem Phys 21: 9810, 2019)]. Here, this artifact, as well as one additionally identified artifact, are systematically studied on several model compounds and the possible origins of both artifacts are discussed. In addition, a new six-pulse RIDME sequence is proposed that eliminates the artifact with the biggest impact on the extracted distance distributions. The efficiency of this pulse sequence is confirmed on several examples.

Correction: Modeling the surface chemistry of biomass model compounds on oxygen-covered Rh(100)

10.1039/c6cp90289h ◽

2017 ◽

Vol 19 (1) ◽

pp. 893-893

Author(s):

B. Caglar ◽

J. W. (Hans) Niemantsverdriet ◽

C. J. (Kees-Jan) Weststrate

Keyword(s):

Surface Chemistry ◽

Chem Phys ◽

Model Compounds ◽

Correction for ‘Modeling the surface chemistry of biomass model compounds on oxygen-covered Rh(100)’ by B. Caglar et al., Phys. Chem. Chem. Phys., 2016, 18, 23888–23903.

Comment on “Local, solvation pressures and conformational changes in ethylenediamine aqueous solutions probed using Raman spectroscopy” by M. Cáceres, A. Lobato, N. J. Mendoza, L. J. Bonales and V. G. Baonza, Phys. Chem. Chem. Phys., 2016, 18, 26192

10.1039/c9cp06589j ◽

2020 ◽

Vol 22 (13) ◽

pp. 7119-7125

Author(s):

A. A. Mukadam ◽

N. P. Aravindakshan ◽

A. L. L. East

Keyword(s):

Raman Spectroscopy ◽

Aqueous Solutions ◽

Conformational Changes ◽

Chem Phys ◽

Raman Peak ◽

Peak Assignment ◽

Misconclusions are corrected on Raman peak assignment and gauche-vs.-trans conformer ratio of ethylenediamine in liquid and aqueous phases. Peaks lost upon aqueous dilution are due to lost NH⋯N interactions. Both conformers exist in both phases.

`Diet GMKTN55' Offers Accelerated Benchmarking Through a Representative Subset Approach

10.26434/chemrxiv.7038428.v2 ◽

2018 ◽

Author(s):

Tim Gould

Keyword(s):

Density Functional ◽

Chem Phys ◽

Comprehensive Analysis ◽

Genetic Approach ◽

Representative Subset ◽

The GMTKN55 benchmarking protocol introduced by [Goerigk et al., Phys. Chem. Chem. Phys., 2017, 19, 32184] allows comprehensive analysis and ranking of density functional approximations with diverse chemical behaviours. But this comprehensiveness comes at a cost: GMTKN55's 1500 benchmarking values require energies for around 2500 systems to be calculated, making it a costly exercise. This manuscript introduces three subsets of GMTKN55, consisting of 30, 100 and 150 systems, as `diet' substitutes for the full database. The subsets are chosen via a stochastic genetic approach, and consequently can reproduce key results of the full GMTKN55 database, including ranking of approximations.

Correction: Space charge limited release of charged inverse micelles in non-polar liquids

10.1039/d1cp90055b ◽

2021 ◽

Author(s):

Manoj Prasad ◽

Filip Strubbe ◽

Filip Beunis ◽

Kristiaan Neyts

Keyword(s):

Space Charge ◽

Chem Phys ◽

Polar Liquids ◽

Inverse Micelles ◽

Phys Chem Chem Phys ◽

Space Charge Limited

Correction for ‘Space charge limited release of charged inverse micelles in non-polar liquids’ by Manoj Prasad et al., Phys. Chem. Chem. Phys., 2016, 18, 19289–19298, DOI: 10.1039/C6CP03544B.

Correction: Observation of ordered arrays of endotaxially grown nanostructures from size-selected Cu-nanoclusters deposited on patterned substrates of Si

10.1039/d1cp90070f ◽

2021 ◽

Author(s):

Shyamal Mondal ◽

Debasree Chowdhury ◽

Pabitra Das ◽

Biswarup Satpati ◽

Debabrata Ghose ◽

...

Keyword(s):

Chem Phys ◽

Patterned Substrates ◽

Ordered Arrays ◽

Cu Nanoclusters ◽

Correction for ‘Observation of ordered arrays of endotaxially grown nanostructures from size-selected Cu-nanoclusters deposited on patterned substrates of Si’ by Shyamal Mondal et al., Phys. Chem. Chem. Phys., 2021, 23, 6009–6016 DOI: 10.1039/D0CP06089E.

Correction: Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2

10.1039/d1cp90071d ◽

2021 ◽

Author(s):

Aditya G. Rao ◽

Christian Wiebeler ◽

Saumik Sen ◽

David S. Cerutti ◽

Igor Schapiro

Keyword(s):

Structural Heterogeneity ◽

Chem Phys ◽

Correction for ‘Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2’ by Aditya G. Rao et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/d0cp05314g.

Correction: Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor

10.1039/d1cp90025k ◽

2021 ◽

Vol 23 (7) ◽

pp. 4454-4454

Author(s):

Kunran Yang ◽

Jeremie Zaffran ◽

Bo Yang

Keyword(s):

Carbon Nanotubes ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Chem Phys ◽

Reduction Reaction ◽

Oxygen Reduction Reaction Activity ◽

Fast Prediction ◽

Correction for ‘Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor’ by Kunran Yang et al., Phys. Chem. Chem. Phys., 2020, 22, 890–895, DOI: 10.1039/C9CP04885E.

Correction: Local structure of a highly concentrated NaClO4 aqueous solution-type electrolyte for sodium ion batteries

10.1039/d1cp90077c ◽

2021 ◽

Vol 23 (16) ◽

pp. 10130-10131

Author(s):

Ryo Sakamoto ◽

Maho Yamashita ◽

Kosuke Nakamoto ◽

Yongquan Zhou ◽

Nobuko Yoshimoto ◽

...

Keyword(s):

Aqueous Solution ◽

Local Structure ◽

Chem Phys ◽

Sodium Ion ◽

Sodium Ion Batteries ◽

Solution Type ◽

Type Electrolyte ◽

Correction for ‘Local structure of a highly concentrated NaClO4 aqueous solution-type electrolyte for sodium ion batteries’ by Ryo Sakamoto et al., Phys. Chem. Chem. Phys., 2020, 22, 26452–26458, DOI: 10.1039/D0CP04376A.

Correction: Temperature control in DRIFT cells used for in situ and operando studies: where do we stand today?

10.1039/d0cp90267e ◽

2020 ◽

Vol 22 (47) ◽

pp. 27912-27912

Author(s):

Ignacio Melián-Cabrera

Keyword(s):

Temperature Control ◽

Chem Phys ◽

Phys Chem Chem Phys ◽

Operando Studies

Correction for ‘Temperature control in DRIFT cells used for in situ and operando studies: where do we stand today?’ by Ignacio Melián-Cabrera, Phys. Chem. Chem. Phys., 2020, DOI: 10.1039/d0cp04352d.

Correction: Anisotropy of the vorticity tensor as a magnetic indicator of aromaticity

10.1039/d0cp90097d ◽

2020 ◽

Vol 22 (19) ◽

pp. 11101-11104

Author(s):

S. Pelloni ◽

P. Lazzeretti

Keyword(s):

Chem Phys ◽

Correction for ‘Anisotropy of the vorticity tensor as a magnetic indicator of aromaticity’ by S. Pelloni et al., Phys. Chem. Chem. Phys., 2020, 22, 1299–1305, DOI: 10.1039/C9CP05563K.