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The generalde novosolution of the crystallographic phase problem is difficult and only possible under certain conditions. This paper develops an initial pathway to a deep learning neural network approach for the phase problem in protein crystallography, based on a synthetic dataset of small fragments derived from a large well curated subset of solved structures in the Protein Data Bank (PDB). In particular, electron-density estimates of simple artificial systems are produced directly from corresponding Patterson maps using a convolutional neural network architecture as a proof of concept.

 

Abstract The fast solar wind that fills the heliosphere originates from deep within regions of open magnetic field on the Sun called ‘coronal holes’. The energy source responsible for accelerating the plasma is widely debated; however, there is evidence that it is ultimately magnetic in nature, with candidate mechanisms including wave heating 1,2 and interchange reconnection 3–5 . The coronal magnetic field near the solar surface is structured on scales associated with ‘supergranulation’ convection cells, whereby descending flows create intense fields. The energy density in these ‘network’ magnetic field bundles is a candidate energy source for the wind. Here we report measurements of fast solar wind streams from the Parker Solar Probe (PSP) spacecraft 6 that provide strong evidence for the interchange reconnection mechanism. We show that the supergranulation structure at the coronal base remains imprinted in the near-Sun solar wind, resulting in asymmetric patches of magnetic ‘switchbacks’ 7,8 and bursty wind streams with power-law-like energetic ion spectra to beyond 100 keV. Computer simulations of interchange reconnection support key features of the observations, including the ion spectra. Important characteristics of interchange reconnection in the low corona are inferred from the data, including that the reconnection is collisionless and that the energy release rate is sufficient to power the fast wind. In this scenario, magnetic reconnection is continuous and the wind is driven by both the resulting plasma pressure and the radial Alfvénic flow bursts. 

Observations show predictive skill of the minimum sea ice extent (Min SIE) from late winter anomalous offshore ice drift along the Eurasian coastline, leading to local ice thickness anomalies at the onset of the melt season—a signal then amplified by the ice–albedo feedback. We assess whether the observed seasonal predictability of September sea ice extent (Sept SIE) from Fram Strait Ice Area Export (FSIAE; a proxy for Eurasian coastal divergence) is present in global climate model (GCM) large ensembles, namely the CESM2-LE, GISS-E2.1-G, FLOR-LE, CNRM-CM6-1, and CanESM5. All models show distinct periods where winter FSIAE anomalies are negatively correlated with the May sea ice thickness (May SIT) anomalies along the Eurasian coastline, and the following Sept Arctic SIE, as in observations. Counterintuitively, several models show occasional periods where winter FSIAE anomalies are positively correlated with the following Sept SIE anomalies when the mean ice thickness is large, or late in the simulation when the sea ice is thin, and/or when internal variability increases. More important, periods with weak correlation between winter FSIAE and the following Sept SIE dominate, suggesting that summer melt processes generally dominate over late-winter preconditioning and May SIT anomalies. In general, we find that the coupling between the winter FSIAE and ice thickness anomalies along the Eurasian coastline at the onset of the melt season is a ubiquitous feature of GCMs and that the relationship with the following Sept SIE is dependent on the mean Arctic sea ice thickness.

 

The Mars Atmosphere and Volatile EvolutioN (MAVEN) mission has been orbiting Mars since 2014 and now has over 10,000 orbits which we use to characterize Mars' dynamic space environment. Through global field line tracing with MAVEN magnetic field data we find an altitude dependent draping morphology that differs from expectations of induced magnetospheres in the vertical ( Mars Sun‐state, MSO) direction. We quantify this difference from the classical picture of induced magnetospheres with a Bayesian multiple linear regression model to predict the draped field as a function of the upstream interplanetary magnetic field (IMF), remanent crustal fields, and a previously underestimated induced effect. From our model we conclude that unexpected twists in high altitude dayside draping (>800 km) are a result of the IMF component in the MSO direction. We propose that this is a natural outcome of current theories of induced magnetospheres but has been underestimated due to approximations of the IMF as solely directed. We additionally estimate that distortions in low altitude (<800 km) dayside draping along are directly related to remanent crustal fields. We show dayside draping traces down tail and previously reported inner magnetotail twists are likely caused by the crustal field of Mars, while the outer tail morphology is governed by an induced response to the IMF direction. We conclude with an updated understanding of induced magnetospheres which details dayside draping for multiple directions of the incoming IMF and discuss the repercussions of this draping for magnetotail morphology.

 

In this paper, we introduce two new methods of mitigating decoder error propagation for low-latency sliding window decoding (SWD) of spatially coupled low-density parity-check (SC-LDPC) codes. Building on the recently introduced idea of check node (CN) doping of regular SC-LDPC codes, here we employ variable node (VN) doping to fix (set to a known value) a subset of variable nodes in the coupling chain. Both of these doping methods have the effect of allowing SWD to recover from error propagation, at a cost of a slight rate loss. Experimental results show that, similar to CN doping, VN doping improves performance by up to two orders of magnitude compared to un-doped SC-LDPC codes in the typical signal-to-noise ratio operating range. Further, compared to CN doping, VN doping has the advantage of not requiring any changes to the decoding process. In addition, a log-likelihood-ratio based window extension algorithm is proposed to reduce the effect of error propagation. Using this approach, we show that decoding latency can be reduced by up to a significant fraction without suffering any loss in performance. 

Selective autophagy is a conserved subcellular process that maintains the health of eukaryotic cells by targeting damaged or toxic cytoplasmic components to the vacuole/lysosome for degradation. A key player in the initiation of selective autophagy in S. Cerevisiae (baker’s yeast) is a large adapter protein called Atg11. Atg11 has multiple predicted coiled-coil domains and intrinsically disordered regions, is known to dimerize, and binds and organizes other essential components of the autophagosome formation machinery, including Atg1 and Atg9. We performed systematic directed mutagenesis on the coiled-coil 2 domain of Atg11 in order to map which residues were required for its structure and function. Using yeast-2-hybrid and coimmunoprecipitation, we found only three residues to be critical: I562, Y565, and I569. Mutation of any of these, but especially Y565, could interfere with Atg11 dimerization and block its interaction with Atg1 and Atg9, thereby inactivating selective autophagy. 

In this paper, we introduce two new methods of mitigating decoder error propagation for low-latency sliding window decoding (SWD) of spatially coupled low density parity check (SC-LDPC) codes. Building on the recently introduced idea of check node (CN) doping of regular SC-LDPC codes, here we employ variable node (VN) doping to fix (set to a known value) a subset of variable nodes in the coupling chain. Both of these doping methods have the effect of allowing SWD to recover from error propagation, at a cost of a slight rate loss. Experimental results show that, similar to CN doping, VN doping improves performance by up to two orders of magnitude compared to undoped SC-LDPC codes in the typical signal-to-noise ratio operating range. Further, compared to CN doping, VN doping has the advantage of not requiring any changes to the decoding process.In addition, a log-likelihood-ratio based window extension algorithm is proposed to reduce the effect of error propagation. Using this approach, we show that decoding latency can be reduced by up to a significant fraction without suffering any loss in performance 

The phase problem in X-ray crystallography arises from the fact that only the intensities, and not the phases, of the diffracting electromagnetic waves are measured directly. Molecular replacement can often estimate the relative phases of reflections starting with those derived from a template structure, which is usually a previously solved structure of a similar protein. The key factor in the success of molecular replacement is finding a good template structure. When no good solved template exists, predicted structures based partially on templates can sometimes be used to generate models for molecular replacement, thereby extending the lower bound of structural and sequence similarity required for successful structure determination. Here, the effectiveness is examined of structures predicted by a state-of-the-art prediction algorithm, the Associative memory, Water-mediated, Structure and Energy Model Suite ( AWSEM-Suite ), which has been shown to perform well in predicting protein structures in CASP13 when there is no significant sequence similarity to a solved protein or only very low sequence similarity to known templates. The performance of AWSEM-Suite structures in molecular replacement is discussed and the results show that AWSEM-Suite performs well in providing useful phase information, often performing better than I-TASSER-MR and the previous algorithm AWSEM-Template .