bluuebunny/crossref_metadata_2025_split huggingface dataset:
A prenucleation strategy for ambient fabrication of perovskite solar cells with high device performance uniformity
Authors: Zhang Kai , Wang Zheng , Wang Gaopeng , Wang Jian , Li Yu , Qian Wei , Zheng Shizhao , Xiao Shuang , Yang Shihe 
Published: February 2020

AbstractHumidity is known to be inimical to the halide perovskites and thus typically avoided during fabrication. The poor fundamental understanding of chemical interactions between water and the precursors hampers the further development of perovskite fabrication in ambient atmosphere. Here, we disclose a key finding that the ambient water could promote the formation of lead complexes, which when uncontrolled would make their way into large intermediate fibrillar crystallites and thus discontinuous perovskite films unfavorable for photovoltaics among others. To counter this effect, a prenucleation strategy is proposed, which embodies the controlled burst of profuse intermediate nuclei. Consequently, we are able to obtain a compact and uniform perovskite layer, which affords high efficiency perovskite solar cells. More excitingly, the solar cells show high performance uniformity, demonstrating the distinctive advantages of our prenucleation strategy. This work sheds light on developing reliable and cost-effective fabrication methods for industrial production of perovskite solar cells.
X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release
Authors: Gotfryd Kamil , Boesen Thomas , Mortensen Jonas S. , Khelashvili George , Quick Matthias , Terry Daniel S. , Missel Julie W. , LeVine Michael V. , Gourdon Pontus , Blanchard Scott C. , Javitch Jonathan A. , Weinstein Harel , Loland Claus J. , Nissen Poul , Gether Ulrik 
Published: February 2020

AbstractNeurotransmitter:sodium symporters (NSS) are conserved from bacteria to man and serve as targets for drugs, including antidepressants and psychostimulants. Here we report the X-ray structure of the prokaryotic NSS member, LeuT, in a Na+/substrate-bound, inward-facing occluded conformation. To obtain this structure, we were guided by findings from single-molecule fluorescence spectroscopy and molecular dynamics simulations indicating that L-Phe binding and mutation of the conserved N-terminal Trp8 to Ala both promote an inward-facing state. Compared to the outward-facing occluded conformation, our structure reveals a major tilting of the cytoplasmic end of transmembrane segment (TM) 5, which, together with release of the N-terminus but without coupled movement of TM1, opens a wide cavity towards the second Na+ binding site. The structure of this key intermediate in the LeuT transport cycle, in the context of other NSS structures, leads to the proposal of an intracellular release mechanism of substrate and ions in NSS proteins.
Van der Waals interfacial reconstruction in monolayer transition-metal dichalcogenides and gold heterojunctions
Authors: Luo Ruichun , Xu Wen Wu , Zhang Yongzheng , Wang Ziqian , Wang Xiaodong , Gao Yi , Liu Pan , Chen Mingwei 
Published: February 2020

AbstractThe structures and properties of van der Waals (vdW) heterojunctions between semiconducting two-dimensional transition-metal dichalcogenides (2D TMDs) and conductive metals, such as gold, significantly influence the performances of 2D-TMD based electronic devices. Chemical vapor deposition is one of the most promising approaches for large-scale synthesis and fabrication of 2D TMD electronics with naturally formed TMD/metal vdW interfaces. However, the structure and chemistry of the vdW interfaces are less known. Here we report the interfacial reconstruction between TMD monolayers and gold substrates. The participation of sulfur leads to the reconstruction of Au {001} surface with the formation of a metastable Au4S4 interfacial phase which is stabilized by the top MoS2 and WS2 monolayers. Moreover, the enhanced vdW interaction between the reconstructed Au4S4 interfacial phase and TMD monolayers results in the transition from n-type TMD-Au Schottky contact to p-type one with reduced energy barrier height.
Phase protection of Fano-Feshbach resonances
Authors: Blech Alexander , Shagam Yuval , Hölsch Nicolas , Paliwal Prerna , Skomorowski Wojciech , Rosenberg John W. , Bibelnik Natan , Heber Oded , Reich Daniel M. , Narevicius Edvardas , Koch Christiane P. 
Published: February 2020

AbstractDecay of bound states due to coupling with free particle states is a general phenomenon occurring at energy scales from MeV in nuclear physics to peV in ultracold atomic gases. Such a coupling gives rise to Fano-Feshbach resonances (FFR) that have become key to understanding and controlling interactions—in ultracold atomic gases, but also between quasiparticles, such as microcavity polaritons. Their energy positions were shown to follow quantum chaotic statistics. In contrast, their lifetimes have so far escaped a similarly comprehensive understanding. Here, we show that bound states, despite being resonantly coupled to a scattering state, become protected from decay whenever the relative phase is a multiple of π. We observe this phenomenon by measuring lifetimes spanning four orders of magnitude for FFR of spin–orbit excited molecular ions with merged beam and electrostatic trap experiments. Our results provide a blueprint for identifying naturally long-lived states in a decaying quantum system.
Data from a terminated study on iron oxide nanoparticle magnetic resonance imaging for head and neck tumors
Authors: Elhalawani Hesham , Awan Musaddiq J. , Ding Yao , Mohamed Abdallah S. R. , Elsayes Ahmed K. , Abu-Gheida Ibrahim , Wang Jihong , Hazle John , Gunn G. Brandon , Lai Stephen Y. , Frank Steven J. , Ginsberg Lawrence E. , Rosenthal David I. , Fuller Clifton D. 
Published: February 2020

AbstractNode positive head and neck squamous cell carcinomas (HNSCCs) patients exhibit worse outcomes in terms of regional neck control, risk for distant metastases and overall survival. Smaller non-palpable lymph nodes may be inflammatory or may harbor clinically occult metastases, a characterization that can be challenging to make using routine imaging modalities. Ferumoxytol has been previously investigated as an intra-tumoral contrast agent for magnetic resonance imaging (MRI) for intracranial malignancies and lymph node agent in prostate cancer. Hence, our group was motivated to carry out a prospective feasibility study to assess the feasibility of ferumoxytol dynamic contrast enhanced (DCE)-weighted MRI relative to that of gadolinium-based DCE-MRI for nodal and primary tumor imaging in patients with biopsy-proven node-positive HNSCC or melanoma. Although this institutional review board (IRB)-approved study was prematurely terminated because of an FDA black box warning, the investigators sought to curate and publish this unique dataset of matched clinical, and anatomical and DCE MRI data for the enrolled five patients to be available for scientists interested in molecular imaging.
All-hazards dataset mined from the US National Incident Management System 1999–2014
Authors: St. Denis Lise A. , Mietkiewicz Nathan P. , Short Karen C. , Buckland Mollie , Balch Jennifer K. 
Published: February 2020

AbstractThis paper describes a new dataset mined from the public archive (1999–2014) of the U.S. National Incident Management System/Incident Command System Incident Status Summary Form (a total of 124,411 reports for 25,083 incidents, including 24,608 wildfires). This system captures detailed information on incident management costs, personnel, hazard characteristics, values at risk, fatalities, and structural damage. Most (98.5%) of the reports are fire-related, followed in decreasing order by other, hurricane, hazardous materials, flood, tornado, search and rescue, civil unrest, and winter storms. The archive, although publicly available, has been difficult to use due to multiple record formats, inconsistent free-form fields, and no bridge between individual reports and high-level incident analysis. Here, we describe this improved dataset and the open, reproducible methods used, including merging records across three versions of the system, cleaning and aligning with the current system, smoothing values across reports, and supporting incident-level analysis. This integrated record offers the opportunity to explore the daily progression of the most costly, damaging, and deadly events in the U.S., particularly for wildfires.
Laboratory-scale characterization of saturated soil samples through ultrasonic techniques
Authors: Liu Hongwei , Maghoul Pooneh , Shalaby Ahmed 
Published: February 2020

AbstractThe propagation of poroelastic waves in a soil specimen is dependent on the physical and mechanical properties of the soil. In the geotechnical practice, such properties are obtained through in-situ geotechnical testings or element soil testings in the laboratory. These methods require almost advanced equipment and both testing and sample preparation may be expensive and time-consuming. This paper aims to present an algorithm for a laboratory-scale ultrasonic non-destructive testing to determine the physical and mechanical properties of saturated soil samples based on the distribution of stress waves. The ultrasonic setup, in comparison to most conventional soil lab testing equipment, is low-cost and non-invasive such that it reduces the soil disturbance. For this purpose, a poro-elastodynamic forward solver and differential evolution global optimization algorithm were applied to characterize the porosity, density, and other mechanical properties for a soil column. The forward solver was developed based on a semi-analytical solution which does not require intensive computational efforts encountered in standard numerical techniques such as the finite element method. It was concluded that the proposed high-frequency ultrasonic technique characterizes effectively the saturated soil samples based on the output stress wave measured by the receiver. This development makes geotechnical investigations time-efficient and cost-effective, and as such more suited to applications in remote areas.
Selection and validation of miR-1280 as a suitable endogenous normalizer for qRT-PCR Analysis of serum microRNA expression in Hepatocellular Carcinoma
Authors: Pratama Muhammad Yogi , Cavalletto Luisa , Tiribelli Claudio , Chemello Liliana , Pascut Devis 
Published: February 2020

AbstractNormalization procedures for the qRT-PCR analysis of miRNA in biological samples are recommended to reduce the variability caused by pre-analytical factors. Since there is no universal standardized normalization strategy for miRNA qRT-PCR studies, we conducted a throughout study to evaluate a panel of small non-coding RNAs (sncRNAs) as reference gene candidate for biomarker studies in serum samples of patients with hepatocellular carcinoma (HCC). Five sncRNAs (miR-1280, miR-1275, SNORD-116, SNORD-68, and U6) were chosen as candidate of reference genes. This study included 122 patients with HCC and was organized into a “pilot phase” consisting of 20 serum samples of HCC patients, and a “validation phase” of 102 patients. Expression level of these candidates were analyzed by qRT-PCR. Assessment of gene stability was performed using four different integrative platforms (geNorm NormFinder, Bestkeeper, and the Delta Ct method). To determine the gene stability during the follow-up of the patient, we extend the analysis of the validation cohort at T1 (1 month after treatment) and T2 (6 month after treatment). MiR-1280 was identified as the most stably expressed reference gene in both pilot and validation phase also during the follow-up. MiR-1280 appears a reliable reference gene candidate in biomarker studies.
Replacing the eleven native tryptophans by directed evolution produces an active P-glycoprotein with site-specific, non-conservative substitutions
Authors: Swartz Douglas J. , Singh Anukriti , Sok Narong , Thomas Joshua N. , Weber Joachim , Urbatsch Ina L. 
Published: February 2020

AbstractP-glycoprotein (Pgp) pumps an array of hydrophobic compounds out of cells, and has major roles in drug pharmacokinetics and cancer multidrug resistance. Yet, polyspecific drug binding and ATP hydrolysis-driven drug export in Pgp are poorly understood. Fluorescence spectroscopy using tryptophans (Trp) inserted at strategic positions is an important tool to study ligand binding. In Pgp, this method will require removal of 11 endogenous Trps, including highly conserved Trps that may be important for function, protein-lipid interactions, and/or protein stability. Here, we developed a directed evolutionary approach to first replace all eight transmembrane Trps and select for transport-active mutants in Saccharomyces cerevisiae. Surprisingly, many Trp positions contained non-conservative substitutions that supportedin vivoactivity, and were preferred over aromatic amino acids. The most active construct, W(3Cyto), served for directed evolution of the three cytoplasmic Trps, where two positions revealed strong functional bias towards tyrosine. W(3Cyto) and Trp-less Pgp retained wild-type-like protein expression, localization and transport function, and purified proteins retained drug stimulation of ATP hydrolysis and drug binding affinities. The data indicate preferred Trp substitutions specific to the local context, often dictated by protein structural requirements and/or membrane lipid interactions, and these new insights will offer guidance for membrane protein engineering.
Renal accumulation of prooxidant mineral elements and CKD in domestic cats
Authors: Alborough R. , Grau-Roma L. , de Brot S. , Hantke G. , Vazquez S. , Gardner D. S. 
Published: February 2020

AbstractFelids have a high incidence of chronic kidney disease (CKD), for which the most common renal lesion is chronic interstitial nephritis (CIN). CIN can be induced by tissue oxidative stress, which is determined by the cellular balance of pro- and anti-oxidant metabolites. Fish-flavoured foods are more often fed to cats than dogs, and such foods tend to have higher arsenic content. Arsenic is a pro-oxidant metallic element. We propose that renal accumulation of pro-oxidant elements such as arsenic and depletion of anti-oxidant elements such as zinc, underpin the high incidence of CIN in domestic cats. Total arsenic and other redox-reactive metal elements were measured in kidneys (after acid-digestion) and urine (both by inductively-coupled plasma-mass spectrometry) of domestic cats (kidneys, n = 56; urine, n = 21), domestic dogs (kidneys, n = 54; urine, n = 28) and non-domesticated Scottish Wildcats (kidneys, n = 17). Renal lesions were graded by severity of CIN. In our randomly sampled population, CIN was more prevalent in domestic cat versus domestic dog (51%, n = 32 of 62 cats; 15%, 11 of 70 dogs were positive for CIN, respectively). CIN was absent from all Scottish wildcats. Tissue and urinary (corrected for creatinine) arsenic content was higher in domestic cats, relative to domestic dogs and wildcats. Urine arsenic was higher in domestic cats and dogs with CIN. Arsenobetaine, an organic and relatively harmless species of arsenic, was the primary form of arsenic found in pet foods. In summary, the kidneys of domestic cats appear to have greater levels of pro-oxidant trace elements, as compared to dogs and wildcats. Since there was no difference in renal arsenic levels in cats with or without CIN, renal arsenic accumulation does not appear a primary driver of excess CIN in cats. Given clear differences in renal handling of pro vs. anti-oxidant minerals between cats and dogs, further in vivo balance studies are warranted. These may then inform species-specific guidelines for trace element incorporation into commercial diets.
The effects of NMDA receptor blockade on TMS-evoked EEG potentials from prefrontal and parietal cortex
Authors: Rogasch Nigel C. , Zipser Carl , Darmani Ghazaleh , Mutanen Tuomas P. , Biabani Mana , Zrenner Christoph , Desideri Debora , Belardinelli Paolo , Müller-Dahlhaus Florian , Ziemann Ulf 
Published: February 2020

AbstractMeasuring the brain’s response to transcranial magnetic stimulation (TMS) with electroencephalography (EEG) offers unique insights into the cortical circuits activated following stimulation, particularly in non-motor regions where less is known about TMS physiology. However, the mechanisms underlying TMS-evoked EEG potentials (TEPs) remain largely unknown. We assessed TEP sensitivity to changes in excitatory neurotransmission mediated by n-methyl-d-aspartate (NMDA) receptors following stimulation of non-motor regions. In fourteen male volunteers, resting EEG and TEPs from prefrontal (PFC) and parietal (PAR) cortex were measured before and after administration of either dextromethorphan (NMDA receptor antagonist) or placebo across two sessions in a double-blinded pseudo-randomised crossover design. At baseline, there were amplitude differences between PFC and PAR TEPs across a wide time range (15–250 ms), however the signals were correlated after ~80 ms, suggesting early peaks reflect site-specific activity, whereas late peaks reflect activity patterns less dependent on the stimulated sites. Early TEP peaks were not reliably altered following dextromethorphan compared to placebo, although findings were less clear for later peaks, and low frequency resting oscillations were reduced in power. Our findings suggest that early TEP peaks (<80 ms) from PFC and PAR reflect stimulation site specific activity that is largely insensitive to changes in NMDA receptor-mediated neurotransmission.
Photosensitive inhibition of the GABA system in vitro
Authors: Sun Lei , Liu Xinying , Li Xue , Li Mi 
Published: February 2020

AbstractIn the central nervous system (CNS), γ–aminobutyric acid A (GABAA) receptors mediate two types of inhibitory effects. Phasic inhibition involves the activation of synaptic GABAA receptors, and tonic inhibition is mediated by extrasynaptic GABAA receptors. GABAA receptors are important regulators of neuronal activity and are involved in a range of neurological disorders. In this study, we conducted sIPSCs recordings on hippocampal CA1 pyramidal neurons in WT SD rats and found that exposure to blue light could specifically block the tonic inhibition and sIPSCs, and regulate neuronal activity. These observations indicate the existence of a non-opsin photosensitive pathway that regulates the GABA inhibitory system in the CNS.
Agreement of ocular biometric measurements in young healthy eyes between IOLMaster 700 and OA-2000
Authors: Liao Xuan , Peng Yue , Liu Bo , Tan Qing-Qing , Lan Chang-Jun 
Published: February 2020

AbstractThis prospective cross-sectional study aimed to evaluate the agreement of two new biometers for measuring ocular biometric parameters in young healthy eyes. Ocular biometric parameters were measured using IOLMaster 700 and OA-2000. Power vector analyses of Cartesian (J0) and oblique (J45) components of corneal astigmatism were performed. The right eyes of 103 healthy volunteers were analyzed. The 95% limits of agreement ranged from −0.03 to 0.03 mm, −0.08 to 0.07 mm, −0.18 to 0.18 diopters (D), −1.09 to 1.16 D, −1.18 to 1.15 D for axial length (AL), anterior chamber depth (ACD), mean keratometry, J0 and J45 respectively, which were all comparable between the two biometers, while significant differences were detected in lens thickness (LT), central corneal thickness (CCT), white-to-white (WTW) and pupil diameter (PD). Predicted intraocular lens (IOL) powers were comparable between the two biometers by Haigis and Barrett Universal II formulas, while not by SRK/T, Hoffer Q and Holladay 2. Excepting CCT, WTW and PD meaurements, IOLMaster 700 and OA-2000 have excellent agreement on ocular biometric measurements and astigmatism power vectors, which provides more options for ocular biometric measurements and enables constant optimization for IOL power calculation.
Maturational delay and asymmetric information flow of brain connectivity in SHR model of ADHD revealed by topological analysis of metabolic networks
Authors: Ha Seunggyun , Lee Hyekyoung , Choi Yoori , Kang Hyejin , Jeon Se Jin , Ryu Jong Hoon , Kim Hee Jin , Cheong Jae Hoon , Lim Seonhee , Kim Bung-Nyun , Lee Dong Soo 
Published: February 2020

AbstractAttention-deficit hyperactivity disorder (ADHD) is a complex brain development disorder characterized by hyperactivity/impulsivity and inattention. A major hypothesis of ADHD is a lag of maturation, which is supported mainly by anatomical studies evaluating cortical thickness. Here, we analyzed changes of topological characteristics of whole-brain metabolic connectivity in twelve SHR rats selected as ADHD-model rats by confirming behavior abnormalities using the marble burying test, open field test, and delay discounting task and 12 Wistar Kyoto rats as the control group, across development from 4 weeks old (childhood) and 6 weeks old (entry of puberty). A topological approach based on graph filtrations revealed a lag in the strengthening of limbic-cortical/subcortical connections in ADHD-model rats. This in turn related to impaired modularization of memory and reward-motivation associated regions. Using mathematical network analysis techniques such as single linkage hierarchical clustering and volume entropy, we observed left-lateralized connectivity in the ADHD-model rats at 6 weeks old. Our findings supported the maturational delay of metabolic connectivity in the SHR model of ADHD, and also suggested the possibility of impaired and compensative reconfiguration of information flow over the brain network.
An integrated analysis of rare CNV and exome variation in Autism Spectrum Disorder using the Infinium PsychArray
Authors: Bacchelli Elena , Cameli Cinzia , Viggiano Marta , Igliozzi Roberta , Mancini Alice , Tancredi Raffaella , Battaglia Agatino , Maestrini Elena 
Published: February 2020

AbstractAutism spectrum disorder (ASD) is a neurodevelopmental condition with a complex and heterogeneous genetic etiology. While a proportion of ASD risk is attributable to common variants, rare copy-number variants (CNVs) and protein-disrupting single-nucleotide variants (SNVs) have been shown to significantly contribute to ASD etiology. We analyzed a homogeneous cohort of 127 ASD Italian families genotyped with the Illumina PsychArray, to perform an integrated analysis of CNVs and SNVs and to assess their contribution to ASD risk. We observed a higher burden of rare CNVs, especially deletions, in ASD individuals versus unaffected controls. Furthermore, we identified a significant enrichment of rare CNVs intersecting ASD candidate genes reported in the SFARI database. Family-based analysis of rare SNVs genotyped by the PsychArray also indicated an increased transmission of rare SNV variants from heterozygous parents to probands, supporting a multigenic model of ASD risk with significant contributions of both variant types. Moreover, our study reinforced the evidence for a significant role of VPS13B, WWOX, CNTNAP2, RBFOX1, MACROD2, APBA2, PARK2, GPHN, and RNF113A genes in ASD susceptibility. Finally, we showed that the PsychArray, besides providing useful genotyping data in psychiatric disorders, is a valuable and cost-efficient tool for genic CNV detection, down to 10 kb.