bluuebunny/crossref_metadata_2025_split huggingface dataset:
The structural basis for regulation of the glutathione transporter Ycf1 by regulatory domain phosphorylation
Authors: Khandelwal Nitesh Kumar , Millan Cinthia R. , Zangari Samantha I. , Avila Samantha , Williams Dewight , Thaker Tarjani M. , Tomasiak Thomas M. 
Published: March 2022

AbstractYeast Cadmium Factor 1 (Ycf1) sequesters heavy metals and glutathione into the vacuole to counter cell stress. Ycf1 belongs to the ATP binding cassette C-subfamily (ABCC) of transporters, many of which are regulated by phosphorylation on intrinsically-disordered domains. The regulatory mechanism of phosphorylation is still poorly understood. Here, we report two cryo-EM structures of Ycf1 at 3.4 Å and 4.0 Å resolution in inward-facing open conformations that capture previously unobserved ordered states of the intrinsically disordered regulatory domain (R-domain). R-domain phosphorylation is clearly evident and induces a topology promoting electrostatic and hydrophobic interactions with Nucleotide Binding Domain 1 (NBD1) and the Lasso motif. These interactions stay constant between the structures and are related by rigid body movements of the NBD1/R-domain complex. Biochemical data further show R-domain phosphorylation reorganizes the Ycf1 architecture and is required for maximal ATPase activity. Together, we provide insights into how R-domains control ABCC transporter activity.
A zirconium metal-organic framework with SOC topological net for catalytic peptide bond hydrolysis
Authors: Wang Sujing , Ly Hong Giang T. , Wahiduzzaman Mohammad , Simms Charlotte , Dovgaliuk Iurii , Tissot Antoine , Maurin Guillaume , Parac-Vogt Tatjana N. , Serre Christian 
Published: March 2022

AbstractThe discovery of nanozymes for selective fragmentation of proteins would boost the emerging areas of modern proteomics, however, the development of efficient and reusable artificial catalysts for peptide bond hydrolysis is challenging. Here we report the catalytic properties of a zirconium metal-organic framework, MIP-201, in promoting peptide bond hydrolysis in a simple dipeptide, as well as in horse-heart myoglobin (Mb) protein that consists of 153 amino acids. We demonstrate that MIP-201 features excellent catalytic activity and selectivity, good tolerance toward reaction conditions covering a wide range of pH values, and importantly, exceptional recycling ability associated with easy regeneration process. Taking into account the catalytic performance of MIP-201 and its other advantages such as 6-connected Zr6 cluster active sites, the green, scalable and cost-effective synthesis, and good chemical and architectural stability, our findings suggest that MIP-201 may be a promising and practical alternative to commercially available catalysts for peptide bond hydrolysis.
Inhibition allocates spikes during hippocampal ripples
Authors: Noguchi Asako , Huszár Roman , Morikawa Shota , Buzsáki György , Ikegaya Yuji 
Published: March 2022

AbstractSets of spikes emitted sequentially across neurons constitute fundamental pulse packets in neural information processing, including offline memory replay during hippocampal sharp-wave ripples (SWRs). The relative timing of neuronal spikes is fine-tuned in each spike sequence but can vary between different sequences. However, the microcircuitry mechanism that enables such flexible spike sequencing remains unexplored. We recorded the membrane potentials of multiple hippocampal CA1 pyramidal cells in mice and found that the neurons were transiently hyperpolarized prior to SWRs. The pre-SWR hyperpolarizations were spatiotemporally heterogeneous, and larger hyperpolarizations were associated with later spikes during SWRs. Intracellular blockade of Cl−-mediated inhibition reduced pre-SWR hyperpolarizations and advanced spike times. Single-unit recordings also revealed that the pre-SWR firing rates of inhibitory interneurons predicted the SWR-relevant spike times of pyramidal cells. Thus, pre-SWR inhibitory activity determines the sequential spike times of pyramidal cells and diversifies the repertoire of sequence patterns.
De novo inter-regional coactivations of preconfigured local ensembles support memory
Authors: Miyawaki Hiroyuki , Mizuseki Kenji 
Published: March 2022

AbstractNeuronal ensembles in the amygdala, ventral hippocampus, and prefrontal cortex are involved in fear memory; however, how inter-regional ensemble interactions support memory remains elusive. Using multi-regional large-scale electrophysiology in the aforementioned structures of fear-conditioned rats, we found that the local ensembles activated during fear memory acquisition are inter-regionally coactivated during the subsequent sleep period, which relied on brief bouts of fast network oscillations. During memory retrieval, the coactivations reappeared, together with fast oscillations. Coactivation-participating-ensembles were configured prior to memory acquisition in the amygdala and prefrontal cortex but developed through experience in the hippocampus. Our findings suggest that elements of a given memory are instantly encoded within various brain regions in a preconfigured manner, whereas hippocampal ensembles and the network for inter-regional integration of the distributed information develop in an experience-dependent manner to form a new memory, which is consistent with the hippocampal memory index hypothesis.
Coincidence of cholinergic pauses, dopaminergic activation and depolarisation of spiny projection neurons drives synaptic plasticity in the striatum
Authors: Reynolds John N. J. , Avvisati Riccardo , Dodson Paul D. , Fisher Simon D. , Oswald Manfred J. , Wickens Jeffery R. , Zhang Yan-Feng 
Published: March 2022

AbstractDopamine-dependent long-term plasticity is believed to be a cellular mechanism underlying reinforcement learning. In response to reward and reward-predicting cues, phasic dopamine activity potentiates the efficacy of corticostriatal synapses on spiny projection neurons (SPNs). Since phasic dopamine activity also encodes other behavioural variables, it is unclear how postsynaptic neurons identify which dopamine event is to induce long-term plasticity. Additionally, it is unknown how phasic dopamine released from arborised axons can potentiate targeted striatal synapses through volume transmission. To examine these questions we manipulated striatal cholinergic interneurons (ChIs) and dopamine neurons independently in two distinct in vivo paradigms. We report that long-term potentiation (LTP) at corticostriatal synapses with SPNs is dependent on the coincidence of pauses in ChIs and phasic dopamine activation, critically accompanied by SPN depolarisation. Thus, the ChI pause defines the time window for phasic dopamine to induce plasticity, while depolarisation of SPNs constrains the synapses eligible for plasticity.
A dual-function liquid electrolyte additive for high-energy non-aqueous lithium metal batteries
Authors: Zhang Yuji , Wu Yuan , Li Huiyi , Chen Jinghao , Lei Danni , Wang Chengxin 
Published: March 2022

AbstractEngineering the formulation of non-aqueous liquid electrolytes is a viable strategy to produce high-energy lithium metal batteries. However, when the lithium metal anode is combined with a Ni-rich layered cathode, the (electro)chemical stability of both electrodes could be compromised. To circumvent this issue, we report a combination of aluminum ethoxide (0.4 wt.%) and fluoroethylene carbonate (5 vol.%) as additives in a conventional LiPF6-containing carbonate-based electrolyte solution. This electrolyte formulation enables the formation of mechanically robust and ionically conductive interphases on both electrodes’ surfaces. In particular, the alumina formed at the interphases prevents the formation of dendritic structures on the lithium metal anode and mitigate the stress-induced cracking and phase transformation in the Ni-rich layered cathode. By coupling a thin (i.e., about 40 μm) lithium metal anode with a high-loading (i.e., 21.5 mg cm−2) LiNi0.8Co0.1Mn0.1O2-based cathode in coin cell configuration and lean electrolyte conditions, the engineered electrolyte allows a specific discharge capacity retention of 80.3% after 130 cycles at 60 mA g−1 and 30 °C which results in calculated specific cell energy of about 350 Wh kg−1.
Protruding Pt single-sites on hexagonal ZnIn2S4 to accelerate photocatalytic hydrogen evolution
Authors: Shi Xiaowei , Dai Chao , Wang Xin , Hu Jiayue , Zhang Junying , Zheng Lingxia , Mao Liang , Zheng Huajun , Zhu Mingshan 
Published: March 2022

AbstractSingle-site cocatalysts engineered on supports offer a cost-efficient pathway to utilize precious metals, yet improving the performance further with minimal catalyst loading is still highly desirable. Here we have conducted a photochemical reaction to stabilize ultralow Pt co-catalysts (0.26 wt%) onto the basal plane of hexagonal ZnIn2S4 nanosheets (PtSS-ZIS) to form a Pt-S3 protrusion tetrahedron coordination structure. Compared with the traditional defect-trapped Pt single-site counterparts, the protruding Pt single-sites on h-ZIS photocatalyst enhance the H2 evolution yield rate by a factor of 2.2, which could reach 17.5 mmol g−1 h−1 under visible light irradiation. Importantly, through simple drop-casting, a thin PtSS-ZIS film is prepared, and large amount of observable H2 bubbles are generated, providing great potential for practical solar-light-driven H2 production. The protruding single Pt atoms in PtSS-ZIS could inhibit the recombination of electron-hole pairs and cause a tip effect to optimize the adsorption/desorption behavior of H through effective proton mass transfer, which synergistically promote reaction thermodynamics and kinetics.
Circadian humidity fluctuation induced capillary flow for sustainable mobile energy
Authors: Tang Jiayue , Zhao Yuanyuan , Wang Mi , Wang Dianyu , Yang Xuan , Hao Ruiran , Wang Mingzhan , Wang Yanlei , He Hongyan , Xin John H. , Zheng Shuang 
Published: March 2022

AbstractCircadian humidity fluctuation is an important factor that affects human life all over the world. Here we show that spherical cap-shaped ionic liquid drops sitting on nanowire array are able to continuously output electricity when exposed to outdoor air, which we attribute to the daily humidity fluctuation induced directional capillary flow. Specifically, ionic liquid drops could absorb/desorb water around the liquid/vapor interface and swell/shrink depending on air humidity fluctuation. While pinning of the drop by nanowire array suppresses advancing/receding of triple-phase contact line. To maintain the surface tension-regulated spherical cap profile, inward/outward flow arises for removing excess fluid from the edge or filling the perimeter with fluid from center. This moisture absorption/desorption-caused capillary flow is confirmed by in-situ microscope imaging. We conduct further research to reveal how environmental humidity affects flow rate and power generation performance. To further illustrate feasibility of our strategy, we combine the generators to light up a red diode and LCD screen. All these results present the great potential of tiny humidity fluctuation as an easily accessible anytime-and-anywhere small-scale green energy resource.
In vivo three-dimensional multispectral photoacoustic imaging of dual enzyme-driven cyclic cascade reaction for tumor catalytic therapy
Authors: Lei Shan , Zhang Jing , Blum Nicholas Thomas , Li Meng , Zhang Dong-Yang , Yin Weimin , Zhao Feng , Lin Jing , Huang Peng 
Published: March 2022

AbstractNon-invasive visualization of dynamic molecular events in real-time via molecular imaging may enable the monitoring of cascade catalytic reactions in living systems, however effective imaging modalities and a robust catalytic reaction system are lacking. Here we utilize three-dimensional (3D) multispectral photoacoustic (PA) molecular imaging to monitor in vivo cascade catalytic therapy based on a dual enzyme-driven cyclic reaction platform. The system consists of a two-dimensional (2D) Pd-based nanozyme conjugated with glucose oxidase (GOx). The combination of nanozyme and GOx can induce the PA signal variation of endogenous molecules. Combined with the PA response of the nanozyme, we can simultaneously map the 3D PA signals of dynamic endogenous and exogenous molecules associated with the catalytic process, thus providing a real-time non-invasive visualization. We can also treat tumors under the navigation of the PA imaging. Therefore, our study demonstrates the imaging-guided potential of 3D multispectral PA imaging in feedback-looped cascade catalytic therapy.
A graph based approach to model charge transport in semiconducting polymers
Authors: Noruzi Ramin , Lim Eunhee , Pokuri Balaji Sesha Sarath , Chabinyc Michael L. , Ganapathysubramanian Baskar 
Published: March 2022

AbstractCharge transport in molecular solids, such as semiconducting polymers, is strongly affected by packing and structural order over several length scales. Conventional approaches to modeling these phenomena range from analytical models to numerical models using quantum mechanical calculations. While analytical approaches cannot account for detailed structural effects, numerical models are expensive for exhaustive (and statistically significant) analysis. Here, we report a computationally scalable methodology using graph theory to explore the influence of molecular ordering on charge mobility. This model accurately reproduces the analytical results for transport in nematic and isotropic systems, as well as experimental results of the dependence of the charge carrier mobility on orientation correlation length for polymers. We further model how defect distribution (correlated and uncorrelated) in semiconducting polymers can modify the mobility, predicting a critical defect density above which the mobility plummets. This work enables rapid (and computationally extensible) evaluation of charge mobility semiconducting polymer devices.
FAIRly big: A framework for computationally reproducible processing of large-scale data
Authors: Wagner Adina S. , Waite Laura K. , Wierzba Małgorzata , Hoffstaedter Felix , Waite Alexander Q. , Poldrack Benjamin , Eickhoff Simon B. , Hanke Michael 
Published: March 2022

AbstractLarge-scale datasets present unique opportunities to perform scientific investigations with unprecedented breadth. However, they also pose considerable challenges for the findability, accessibility, interoperability, and reusability (FAIR) of research outcomes due to infrastructure limitations, data usage constraints, or software license restrictions. Here we introduce a DataLad-based, domain-agnostic framework suitable for reproducible data processing in compliance with open science mandates. The framework attempts to minimize platform idiosyncrasies and performance-related complexities. It affords the capture of machine-actionable computational provenance records that can be used to retrace and verify the origins of research outcomes, as well as be re-executed independent of the original computing infrastructure. We demonstrate the framework’s performance using two showcases: one highlighting data sharing and transparency (using the studyforrest.org dataset) and another highlighting scalability (using the largest public brain imaging dataset available: the UK Biobank dataset).
Global monthly gridded atmospheric carbon dioxide concentrations under the historical and future scenarios
Authors: Cheng Wei , Dan Li , Deng Xiangzheng , Feng Jinming , Wang Yongli , Peng Jing , Tian Jing , Qi Wei , Liu Zhu , Zheng Xinqi , Zhou Demin , Jiang Sijian , Zhao Haipeng , Wang Xiaoyu 
Published: March 2022

AbstractIncreases in atmospheric carbon dioxide (CO2) concentrations is the main driver of global warming due to fossil fuel combustion. Satellite observations provide continuous global CO2 retrieval products, that reveal the nonuniform distributions of atmospheric CO2 concentrations. However, climate simulation studies are almost based on a globally uniform mean or latitudinally resolved CO2 concentrations assumption. In this study, we reconstructed the historical global monthly distributions of atmospheric CO2 concentrations with 1° resolution from 1850 to 2013 which are based on the historical monthly and latitudinally resolved CO2 concentrations accounting longitudinal features retrieved from fossil-fuel CO2 emissions from Carbon Dioxide Information Analysis Center. And the spatial distributions of nonuniform CO2 under Shared Socio-economic Pathways and Representative Concentration Pathways scenarios were generated based on the spatial, seasonal and interannual scales of the current CO2 concentrations from 2015 to 2150. Including the heterogenous CO2 distributions could enhance the realism of global climate modeling, to better anticipate the potential socio-economic implications, adaptation practices, and mitigation of climate change.
Optimized office lighting advances melatonin phase and peripheral heat loss prior bedtime
Authors: Benedetti Marta , Maierová Lenka , Cajochen Christian , Scartezzini Jean-Louis , Münch Mirjam 
Published: March 2022

AbstractImproving indoor lighting conditions at the workplace has the potential to support proper circadian entrainment of hormonal rhythms, sleep, and well-being. We tested the effects of optimized dynamic daylight and electric lighting on circadian phase of melatonin, cortisol and skin temperatures in office workers. We equipped one office room with an automated controller for blinds and electric lighting, optimized for dynamic lighting (= Test room), and a second room without any automated control (= Reference room). Young healthy participants (n = 34) spent five consecutive workdays in each room, where individual light exposure data, skin temperatures and saliva samples for melatonin and cortisol assessments were collected. Vertical illuminance in the Test room was 1177 ± 562 photopic lux (mean  ± SD) , which was 320 lux higher than in the Reference room (p < 0.01). Melanopic equivalent daylight (D65) illuminance was 931 ± 484 melanopic lux in the Test room and 730 ± 390 melanopic lux in the Reference room (p < 0.01). Individual light exposures resulted in a 50 min earlier time of half-maximum accumulated illuminance in the Test than the Reference room (p < 0.05). The melatonin secretion onset and peripheral heat loss in the evening occurred significantly earlier with respect to habitual sleeptime in the Test compared to the Reference room (p < 0.05). Our findings suggest that optimized dynamic workplace lighting has the potential to promote earlier melatonin onset and peripheral heat loss prior bedtime, which may be beneficial for persons with a delayed circadian timing system.
Genetic analysis of the cold-sensitive growth phenotype of Burkholderia pseudomallei/thailandensis bacteriophage AMP1
Authors: Letarov Andrey V. , Letarova Maria A. , Ivanov Pavel A. , Belalov Ilya S. , Clokie Martha R. J. , Galyov Edouard E. 
Published: March 2022

AbstractBacteriophages related to phage Bp_AMP1 are the most widely spread group of phages infecting Burkholderia pseudomallei—the causative agent of melioidosis. These viruses are also infective against the nonpathogenic host Burkholderia thailandensis, allowing experimental work with them without any special safety precautions. The indirect data as well as the results of the mathematical modelling suggest that the AMP1-like viruses may act as natural biocontrol agents influencing the population levels of B. pseudomallei in soil and water habitats in endemic regions. The cold sensitivity of the lytic growth (CSg) of these phages was suggested to be an important feature modulating the effect of viral infection on host populations in nature. We performed genetic analysis to determine the molecular background of the CSg phenotype of the AMP1 phage. The results indicate that CSg is not due to the lack of any function or product missing at low temperature (25 °C) but results in growth inhibition by a phage-encoded temperature-sensitive genetic switch. We identified phage ORF3 and ORF14 to be involved in the genetic determination of this mechanism.
Heterogeneous climate change impacts on electricity demand in world cities circa mid-century
Authors: Romitti Yasmin , Sue Wing Ian 
Published: March 2022

AbstractRising ambient temperatures due to climate change will increase urban populations’ exposures to extreme heat. During hot hours, a key protective adaptation is increased air conditioning and associated consumption of electricity for cooling. But during cold hours, milder temperatures have the offsetting effect of reducing consumption of electricity and other fuels for heating. We elucidate the net consequences of these opposing effects in 36 cities in different world regions. We couple reduced-form statistical models of cities’ hourly responses of electric load to temperature with temporally downscaled projections of temperatures simulated by 21 global climate models (GCMs), projecting the effects of warming on the demand for electricity circa 2050. Cities' responses, temperature exposures and impacts are heterogeneous, with changes in total annual consumption ranging from $$-2.7$$

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2.7

to 5.7%, and peak power demand increasing by as much as 9.5% at the multi-GCM median. The largest increases are concentrated in more economically developed mid-latitude cities, with less developed urban areas in the tropics exhibiting relatively small changes. The results highlight the important role of the structure of electricity demand: large temperature increases in tropical cities are offset by their inelastic responses, which can be attributed to lower air-conditioning penetration.
Mild chronic exposure to pesticides alters physiological markers of honey bee health without perturbing the core gut microbiota
Authors: Almasri Hanine , Liberti Joanito , Brunet Jean-Luc , Engel Philipp , Belzunces Luc P. 
Published: March 2022

AbstractRecent studies highlighted that exposure to glyphosate can affect specific members of the core gut microbiota of honey bee workers. However, in this study, bees were exposed to relatively high glyphosate concentrations. Here, we chronically exposed newly emerged honey bees to imidacloprid, glyphosate and difenoconazole, individually and in a ternary mixture, at an environmental concentration of 0.1 µg/L. We studied the effects of these exposures on the establishment of the gut microbiota, the physiological status, the longevity, and food consumption of the host. The core bacterial species were not affected by the exposure to the three pesticides. Negative effects were observed but they were restricted to few transient non-core bacterial species. However, in the absence of the core microbiota, the pesticides induced physiological disruption by directly altering the detoxification system, the antioxidant defenses, and the metabolism of the host. Our study indicates that even mild exposure to pesticides can directly alter the physiological homeostasis of newly emerged honey bees and particularly if the individuals exhibit a dysbiosis (i.e. mostly lack the core microbiota). This highlights the importance of an early establishment of a healthy gut bacterial community to strengthen the natural defenses of the honey bee against xenobiotic stressors.