206 research outputs found
Recommended from our members
Archiving and disseminating integrative structure models.
Limitations in the applicability, accuracy, and precision of individual structure characterization methods can sometimes be overcome via an integrative modeling approach that relies on information from all available sources, including all available experimental data and prior models. The open-source Integrative Modeling Platform (IMP) is one piece of software that implements all computational aspects of integrative modeling. To maximize the impact of integrative structures, the coordinates should be made publicly available, as is already the case for structures based on X-ray crystallography, NMR spectroscopy, and electron microscopy. Moreover, the associated experimental data and modeling protocols should also be archived, such that the original results can easily be reproduced. Finally, it is essential that the integrative structures are validated as part of their publication and deposition. A number of research groups have already developed software to implement integrative modeling and have generated a number of structures, prompting the formation of an Integrative/Hybrid Methods Task Force. Following the recommendations of this task force, the existing PDBx/mmCIF data representation used for atomic PDB structures has been extended to address the requirements for archiving integrative structural models. This IHM-dictionary adds a flexible model representation, including coarse graining, models in multiple states and/or related by time or other order, and multiple input experimental information sources. A prototype archiving system called PDB-Dev ( https://pdb-dev.wwpdb.org ) has also been created to archive integrative structural models, together with a Python library to facilitate handling of integrative models in PDBx/mmCIF format
ValiDichro: a website for validating and quality control of protein circular dichroism spectra
Circular dichroism (CD) spectroscopy is widely used in structural biology as a technique for examining the structure, folding and conformational changes of proteins. A new server, ValiDichro, has been developed for checking the quality and validity of CD spectral data and metadata, both as an aid to data collection and processing and as a validation procedure for spectra to be included in publications. ValiDichro currently includes 25 tests for data completeness, consistency and quality. For each test that is done, not only is a validation report produced, but the user is also provided with suggestions for correcting or improving the data. The ValiDichro server is freely available at http://valispec.cryst.bbk.ac.uk/circularDichroism/ValiDichro/upload.html
Ethylenediamine Addition Improves Performance and Suppresses Phase Instabilities in Mixed-Halide Perovskites
We show that adding ethylenediamine (EDA) to perovskite precursor solution
improves the photovoltaic device performance and material stability of
high-bromide-content, methylammonium-free, formamidinium cesium lead halide
perovskites FA1-xCsxPb(I1-yBry)3 which are currently of interest for
perovskite-on-Si tandem solar cells. Using spectroscopy and hyperspectral
microscopy, we show that the additive improves film homogeneity and suppresses
the phase instability that is ubiquitous in high-Br perovskite formulations,
producing films that remain stable for over 100 days in ambient conditions.
With the addition of 1 mol% EDA we demonstrate 1.69 eV-gap perovskite
single-junction p-i-n devices with a VOC of 1.22 V, and a champion maximum
power point tracked power conversion efficiency of 18.8%, comparable to the
best reported methylammonium-free perovskites. Using nuclear magnetic resonance
(NMR) spectroscopy and X-ray diffraction techniques, we show that EDA reacts
with FA+ in solution, rapidly and quantitatively forming imidazolinium cations.
It is the presence of imidazolinium during crystallization which drives the
improved perovskite thin-film properties
Ephemerality of discrete methane vents in lake sediments
Methane is a potent greenhouse gas whose emission from sediments in inland waters and shallow oceans may both contribute to global warming and be exacerbated by it. The fraction of methane emitted by sediments that bypasses dissolution in the water column and reaches the atmosphere as bubbles depends on the mode and spatiotemporal characteristics of venting from the sediments. Earlier studies have concluded that hot spots—persistent, high-flux vents—dominate the regional ebullitive flux from submerged sediments. Here the spatial structure, persistence, and variability in the intensity of methane venting are analyzed using a high-resolution multibeam sonar record acquired at the bottom of a lake during multiple deployments over a 9 month period. We confirm that ebullition is strongly episodic, with distinct regimes of high flux and low flux largely controlled by changes in hydrostatic pressure. Our analysis shows that the spatial pattern of ebullition becomes homogeneous at the sonar's resolution over time scales of hours (for high-flux periods) or days (for low-flux periods), demonstrating that vents are ephemeral rather than persistent, and suggesting that long-term, lake-wide ebullition dynamics may be modeled without resolving the fine-scale spatial structure of venting.National Science Foundation (U.S.) (1045193)United States. Department of Energy (DE-FE001399
Development of the Low Frequency Telescope Focal Plane Detector Modules for LiteBIRD
LiteBIRD is a JAXA-led strategic large-class satellite mission designed to
measure the polarization of the cosmic microwave background and Galactic
foregrounds from 34 to 448 GHz across the entire sky from L2 in the late 2020s.
The scientific payload includes three telescopes which are called the low-,
mid-, and high-frequency telescopes each with their own receiver that covers a
portion of the mission's frequency range. The low frequency telescope will map
synchrotron radiation from the Galactic foreground and the cosmic microwave
background. We discuss the design, fabrication, and characterization of the
low-frequency focal plane modules for low-frequency telescope, which has a
total bandwidth ranging from 34 to 161 GHz. There will be a total of 4
different pixel types with 8 overlapping bands to cover the full frequency
range. These modules are housed in a single low-frequency focal plane unit
which provides thermal isolation, mechanical support, and radiative baffling
for the detectors. The module design implements multi-chroic lenslet-coupled
sinuous antenna arrays coupled to transition edge sensor bolometers read out
with frequency-domain mulitplexing. While this technology has strong heritage
in ground-based cosmic microwave background experiments, the broad frequency
coverage, low optical loading conditions, and the high cosmic ray background of
the space environment require further development of this technology to be
suitable for LiteBIRD. In these proceedings, we discuss the optical and
bolometeric characterization of a triplexing prototype pixel with bands
centered on 78, 100, and 140 GHz.Comment: SPIE Astronomical Telescope + Instrumentation (AS22
- …