bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gold catalysts containing interstitial carbon atoms boost hydrogenation activity
Authors: Sun Yafei , Cao Yueqiang , Wang Lili , Mu Xiaotong , Zhao Qingfei , Si Rui , Zhu Xiaojuan , Chen Shangjun , Zhang Bingsen , Chen De , Wan Ying 
Published: September 2020

AbstractSupported gold nanoparticles are emerging catalysts for heterogeneous catalytic reactions, including selective hydrogenation. The traditionally used supports such as silica do not favor the heterolytic dissociation of hydrogen on the surface of gold, thus limiting its hydrogenation activity. Here we use gold catalyst particles partially embedded in the pore walls of mesoporous carbon with carbon atoms occupying interstitial sites in the gold lattice. This catalyst allows improved electron transfer from carbon to gold and, when used for the chemoselective hydrogenation of 3-nitrostyrene, gives a three times higher turn-over frequency (TOF) than that for the well-established Au/TiO2 system. The d electron gain of Au is linearly related to the activation entropy and TOF. The catalyst is stable, and can be recycled ten times with negligible loss of both reaction rate and overall conversion. This strategy paves the way for optimizing noble metal catalysts to give an enhanced hydrogenation catalytic performance.
An artificial sensory neuron with visual-haptic fusion
Authors: Wan Changjin , Cai Pingqiang , Guo Xintong , Wang Ming , Matsuhisa Naoji , Yang Le , Lv Zhisheng , Luo Yifei , Loh Xian Jun , Chen Xiaodong 
Published: September 2020

AbstractHuman behaviors are extremely sophisticated, relying on the adaptive, plastic and event-driven network of sensory neurons. Such neuronal system analyzes multiple sensory cues efficiently to establish accurate depiction of the environment. Here, we develop a bimodal artificial sensory neuron to implement the sensory fusion processes. Such a bimodal artificial sensory neuron collects optic and pressure information from the photodetector and pressure sensors respectively, transmits the bimodal information through an ionic cable, and integrates them into post-synaptic currents by a synaptic transistor. The sensory neuron can be excited in multiple levels by synchronizing the two sensory cues, which enables the manipulating of skeletal myotubes and a robotic hand. Furthermore, enhanced recognition capability achieved on fused visual/haptic cues is confirmed by simulation of a multi-transparency pattern recognition task. Our biomimetic design has the potential to advance technologies in cyborg and neuromorphic systems by endowing them with supramodal perceptual capabilities.
Random terpolymer based on thiophene-thiazolothiazole unit enabling efficient non-fullerene organic solar cells
Authors: Wu Jingnan , Li Guangwei , Fang Jin , Guo Xia , Zhu Lei , Guo Bing , Wang Yulong , Zhang Guangye , Arunagiri Lingeswaran , Liu Feng , Yan He , Zhang Maojie , Li Yongfang 
Published: September 2020

AbstractDeveloping a high-performance donor polymer is critical for achieving efficient non-fullerene organic solar cells (OSCs). Currently, most high-efficiency OSCs are based on a donor polymer named PM6, unfortunately, whose performance is highly sensitive to its molecular weight and thus has significant batch-to-batch variations. Here we report a donor polymer (named PM1) based on a random ternary polymerization strategy that enables highly efficient non-fullerene OSCs with efficiencies reaching 17.6%. Importantly, the PM1 polymer exhibits excellent batch-to-batch reproducibility. By including 20% of a weak electron-withdrawing thiophene-thiazolothiazole (TTz) into the PM6 polymer backbone, the resulting polymer (PM1) can maintain the positive effects (such as downshifted energy level and reduced miscibility) while minimize the negative ones (including reduced temperature-dependent aggregation property). With higher performance and greater synthesis reproducibility, the PM1 polymer has the promise to become the work-horse material for the non-fullerene OSC community.
Precise allele-specific genome editing by spatiotemporal control of CRISPR-Cas9 via pronuclear transplantation
Authors: Li Yanhe , Weng Yuteng , Bai Dandan , Jia Yanping , Liu Yingdong , Zhang Yalin , Kou Xiaochen , Zhao Yanhong , Ruan Jingling , Chen Jiayu , Yin Jiqing , Wang Hong , Teng Xiaoming , Wang Zuolin , Liu Wenqiang , Gao Shaorong 
Published: September 2020

AbstractGene-targeted animal models that are generated by injecting Cas9 and sgRNAs into zygotes are often accompanied by undesired double-strand break (DSB)-induced byproducts and random biallelic targeting due to uncontrollable Cas9 targeting activity. Here, we establish a parental allele-specific gene-targeting (Past-CRISPR) method, based on the detailed observation that pronuclear transfer-mediated cytoplasmic dilution can effectively terminate Cas9 activity. We apply this method in embryos to efficiently target the given parental alleles of a gene of interest and observed little genomic mosaicism because of the spatiotemporal control of Cas9 activity. This method allows us to rapidly explore the function of individual parent-of-origin effects and to construct animal models with a single genomic change. More importantly, Past-CRISPR could also be used for therapeutic applications or disease model construction.
Stabilization of a molecular water oxidation catalyst on a dye−sensitized photoanode by a pyridyl anchor
Authors: Zhu Yong , Wang Degao , Huang Qing , Du Jian , Sun Licheng , Li Fei , Meyer Thomas J. 
Published: September 2020

AbstractUnderstanding and controlling the properties of water-splitting assemblies in dye-sensitized photoelectrosynthesis cells is a key to the exploitation of their properties. We demonstrate here that, following surface loading of a [Ru(bpy)3]2+ (bpy = 2,2′-bipyridine) chromophore on nanoparticle electrodes, addition of the molecular catalysts, Ru(bda)(L)2 (bda  =  2,2′-bipyridine-6,6′-dicarboxylate) with phosphonate or pyridyl sites for water oxidation, gives surfaces with a 5:1 chromophore to catalyst ratio. Addition of the surface-bound phosphonate derivatives with L = 4-pyridyl phosphonic acid or diethyl 3-(pyridin-4-yloxy)decyl-phosphonic acid, leads to well-defined surfaces but, following oxidation to Ru(III), they undergo facile, on-surface dimerization to give surface-bound, oxo-bridged dimers. The dimers have a diminished reactivity toward water oxidation compared to related monomers in solution. By contrast, immobilization of the Ru-bda catalyst on TiO2 with the 4,4′-dipyridyl anchoring ligand can maintain the monomeric structure of catalyst and gives relatively stable photoanodes with photocurrents that reach to 1.7 mA cm−2 with an optimized, applied bias photon-to-current efficiency of 1.5%.
Chemical entrapment and killing of insects by bacteria
Authors: Ho Louis K. , Daniel-Ivad Martin , Jeedigunta Swathi P. , Li Jing , Iliadi Konstantin G. , Boulianne Gabrielle L. , Hurd Thomas R. , Smibert Craig A. , Nodwell Justin R. 
Published: September 2020

AbstractActinobacteriaproduce antibacterial and antifungal specialized metabolites. Many insects harbour actinobacteria on their bodies or in their nests and use these metabolites for protection. However, some actinobacteria produce metabolites that are toxic to insects and the evolutionary relevance of this toxicity is unknown. Here we explore chemical interactions between streptomycetes and the fruit flyDrosophila melanogaster. We find that many streptomycetes produce specialized metabolites that have potent larvicidal effects against the fly; larvae that ingest spores of these species die. The mechanism of toxicity is specific to the bacterium’s chemical arsenal: cosmomycin D producing bacteria induce a cell death-like response in the larval digestive tract; avermectin producing bacteria induce paralysis. Furthermore, low concentrations of volatile terpenes like 2-methylisoborneol that are produced by streptomycetes attract fruit flies such that they preferentially deposit their eggs on contaminated food sources. The resulting larvae are killed during growth and development. The phenomenon of volatile-mediated attraction and specialized metabolite toxicity suggests that some streptomycetes pose an evolutionary risk to insects in nature.
Structural bases of IMiD selectivity that emerges by 5-hydroxythalidomide
Authors: Furihata Hirotake , Yamanaka Satoshi , Honda Toshiaki , Miyauchi Yumiko , Asano Atsuko , Shibata Norio , Tanokura Masaru , Sawasaki Tatsuya , Miyakawa Takuya 
Published: September 2020

AbstractThalidomide and its derivatives exert not only therapeutic effects as immunomodulatory drugs (IMiDs) but also adverse effects such as teratogenicity, which are due in part to different C2H2 zinc-finger (ZF) transcription factors, IKZF1 (or IKZF3) and SALL4, respectively. Here, we report the structural bases for the SALL4-specific proteasomal degradation induced by 5-hydroxythalidomide, a primary thalidomide metabolite generated by the enzymatic activity of cytochrome P450 isozymes, through the interaction with cereblon (CRBN). The crystal structure of the metabolite-mediated human SALL4-CRBN complex and mutagenesis studies elucidate the complex formation enhanced by the interaction between CRBN and an additional hydroxy group of (S)-5-hydroxythalidomide and the variation in the second residue of β-hairpin structure that underlies the C2H2 ZF-type neo-morphic substrate (neosubstrate) selectivity of 5-hydroxythalidomide. These findings deepen our understanding of the pharmaceutical action of IMiDs and provide structural evidence that the glue-type E3 ligase modulators cause altered neosubstrate specificities through their metabolism.
Development and validation of the CHIRTS-daily quasi-global high-resolution daily temperature data set
Authors: Verdin Andrew , Funk Chris , Peterson Pete , Landsfeld Martin , Tuholske Cascade , Grace Kathryn 
Published: September 2020

AbstractWe present a high-resolution daily temperature data set, CHIRTS-daily, which is derived by merging the monthly Climate Hazards center InfraRed Temperature with Stations climate record with daily temperatures from version 5 of the European Centre for Medium-Range Weather Forecasts Re-Analysis. We demonstrate that remotely sensed temperature estimates may more closely represent true conditions than those that rely on interpolation, especially in regions with sparse in situ data. By leveraging remotely sensed infrared temperature observations, CHIRTS-daily provides estimates of 2-meter air temperature for 1983–2016 with a footprint covering 60°S-70°N. We describe this data set and perform a series of validations using station observations from two prominent climate data sources. The validations indicate high levels of accuracy, with CHIRTS-daily correlations with observations ranging from 0.7 to 0.9, and very good representation of heat wave trends.
On speeding up factoring with quantum SAT solvers
Authors: Mosca Michele , Basso Joao Marcos Vensi , Verschoor Sebastian R. 
Published: September 2020

AbstractThere have been several efforts to apply quantum SAT solving methods to factor large integers. While these methods may provide insight into quantum SAT solving, to date they have not led to a convincing path to integer factorization that is competitive with the best known classical method, the Number Field Sieve. Many of the techniques tried involved directly encoding multiplication to SAT or an equivalent NP-hard problem and looking for satisfying assignments of the variables representing the prime factors. The main challenge in these cases is that, to compete with the Number Field Sieve, the quantum SAT solver would need to be superpolynomially faster than classical SAT solvers. In this paper the use of SAT solvers is restricted to a smaller task related to factoring: finding smooth numbers, which is an essential step of the Number Field Sieve. We present a SAT circuit that can be given to quantum SAT solvers such as annealers in order to perform this step of factoring. If quantum SAT solvers achieve any asymptotic speedup over classical brute-force search for smooth numbers, then our factoring algorithm is faster than the classical NFS.
Higher cut-off values of non-invasive methods might be needed to detect moderate-to-severe steatosis in morbid obese patients: a pilot study
Authors: Parente Daniella Braz , Perazzo Hugo , Paiva Fernando Fernandes , Campos Carlos Frederico Ferreira , Saboya Carlos José , Pereira Silvia Elaine , Silva Felipe d’Almeida e , Rodrigues Rosana Souza , Perez Renata de Mello 
Published: September 2020

AbstractTo evaluate the diagnostic value of described thresholds of controlled attenuation parameter (CAP) and biomarker scores for liver steatosis and to evaluate new cut-offs to detect moderate-to-severe steatosis (S2–3) in patients with morbid obesity. In this prospective study, 32 patients with morbid obesity with indications for bariatric surgery (15 women and 17 men, mean age = 36 years, median BMI = 40.2 kg/m2) underwent CAP, magnetic resonance spectroscopy (MRS), three biomarker scores (Steato-ELSA, Fatty Liver Index (FLI), and Hepatic Steatosis Index (HSI)), and liver biopsy. Subjects were divided into an exploratory cohort (reliable CAP and liver biopsy) and a confirmatory cohort (reliable CAP and MRS) to evaluate new thresholds for CAP and biomarker scores to detect S2–3. Receiver operator characteristic (ROC) curves analyses were performed and the optimal cut-off points were identified using the maximal Youden index. A total of 22 patients had CAP measure and liver biopsy (exploratory cohort) and 24 patients had CAP measure with MRS (confirmatory cohort). New cut-offs were identified for detection of S2–3 by the non-invasive tests using liver biopsy as the reference standard (exploratory cohort). Considering the new proposed cut-offs for detection of S2–3 for CAP (≥ 314 dB/m), Steato-ELSA (≥ 0.832), FLI (≥ 96), and HSI (≥ 53), for the exploratory and confirmatory cohorts sensitivities were: 71–75%, 86–81%, 85–81%, and 71–69% and specificities were: 94–89%, 75–63%, 63–63%, and 75–88%, respectively. Higher cut-offs for CAP and biomarker scores may be better to diagnose moderate-to-severe steatosis in patients with morbid obesity.
Analysis of the SARS-CoV-2 spike protein glycan shield reveals implications for immune recognition
Authors: Grant Oliver C. , Montgomery David , Ito Keigo , Woods Robert J. 
Published: September 2020

AbstractHere we have generated 3D structures of glycoforms of the spike (S) glycoprotein from SARS-CoV-2, based on reported 3D structures and glycomics data for the protein produced in HEK293 cells. We also analyze structures for glycoforms representing those present in the nascent glycoproteins (prior to enzymatic modifications in the Golgi), as well as those that are commonly observed on antigens present in other viruses. These models were subjected to molecular dynamics (MD) simulation to determine the extent to which glycan microheterogeneity impacts the antigenicity of the S glycoprotein. Lastly, we have identified peptides in the S glycoprotein that are likely to be presented in human leukocyte antigen (HLA) complexes, and discuss the role of S protein glycosylation in potentially modulating the innate and adaptive immune response to the SARS-CoV-2 virus or to a related vaccine. The 3D structures show that the protein surface is extensively shielded from antibody recognition by glycans, with the notable exception of the ACE2 receptor binding domain, and also that the degree of shielding is largely insensitive to the specific glycoform. Despite the relatively modest contribution of the glycans to the total molecular weight of the S trimer (17% for the HEK293 glycoform) they shield approximately 40% of the protein surface.
Investigating the influence of perinatal nicotine and alcohol exposure on the genetic profiles of dopaminergic neurons in the VTA using miRNA–mRNA analysis
Authors: Kazemi Tina , Huang Shuyan , Avci Naze G. , Waits Charlotte Mae K. , Akay Yasemin M. , Akay Metin 
Published: September 2020

AbstractNicotine and alcohol are two of the most commonly used and abused recreational drugs, are often used simultaneously, and have been linked to significant health hazards. Furthermore, patients diagnosed with dependence on one drug are highly likely to be dependent on the other. Several studies have shown the effects of each drug independently on gene expression within many brain regions, including the ventral tegmental area (VTA). Dopaminergic (DA) neurons of the dopamine reward pathway originate from the VTA, which is believed to be central to the mechanism of addiction and drug reinforcement. Using a well-established rat model for both nicotine and alcohol perinatal exposure, we investigated miRNA and mRNA expression of dopaminergic (DA) neurons of the VTA in rat pups following perinatal alcohol and joint nicotine–alcohol exposure. Microarray analysis was then used to profile the differential expression of both miRNAs and mRNAs from DA neurons of each treatment group to further explore the altered genes and related biological pathways modulated. Predicted and validated miRNA-gene target pairs were analyzed to further understand the roles of miRNAs within these networks following each treatment, along with their post transcription regulation points affecting gene expression throughout development. This study suggested that glutamatergic synapse and axon guidance pathways were specifically enriched and many miRNAs and genes were significantly altered following alcohol or nicotine–alcohol perinatal exposure when compared to saline control. These results provide more detailed insight into the cell proliferation, neuronal migration, neuronal axon guidance during the infancy in rats in response to perinatal alcohol/ or nicotine–alcohol exposure.
Evaluation of whole genome amplification and bioinformatic methods for the characterization of Leishmania genomes at a single cell level
Authors: Imamura Hideo , Monsieurs Pieter , Jara Marlene , Sanders Mandy , Maes Ilse , Vanaerschot Manu , Berriman Matthew , Cotton James A. , Dujardin Jean-Claude , Domagalska Malgorzata A. 
Published: September 2020

AbstractHere, we report a pilot study paving the way for further single cell genomics studies in Leishmania. First, the performances of two commercially available kits for Whole Genome Amplification (WGA), PicoPLEX and RepliG were compared on small amounts of Leishmania donovani DNA, testing their ability to preserve specific genetic variations, including aneuploidy levels and SNPs. We show here that the choice of WGA method should be determined by the planned downstream genetic analysis, PicoPLEX and RepliG performing better for aneuploidy and SNP calling, respectively. This comparison allowed us to evaluate and optimize corresponding bio-informatic methods. As PicoPLEX was shown to be the preferred method for studying single cell aneuploidy, this method was applied in a second step, on single cells of L. braziliensis, which were sorted by fluorescence activated cell sorting (FACS). Even sequencing depth was achieved in 28 single cells, allowing accurate somy estimation. A dominant karyotype with three aneuploid chromosomes was observed in 25 cells, while two different minor karyotypes were observed in the other cells. Our method thus allowed the detection of aneuploidy mosaicism, and provides a solid basis which can be further refined to concur with higher-throughput single cell genomic methods.
Validation of reference genes for expression analysis in a murine trauma model combining traumatic brain injury and femoral fracture
Authors: Otto Ellen , Köhli Paul , Appelt Jessika , Menzel Stefanie , Fuchs Melanie , Bahn Alina , Graef Frank , Duda Georg N. , Tsitsilonis Serafeim , Keller Johannes , Jahn Denise 
Published: September 2020

AbstractSystemic and local posttraumatic responses are often monitored on mRNA expression level using quantitative real-time PCR (qRT-PCR), which requires normalisation to adjust for confounding sources of variability. Normalisation requests reference (housekeeping) genes stable throughout time and divergent experimental conditions in the tissue of interest, which are crucial for a reliable and reproducible gene expression analysis. Although previous animal studies analysed reference genes following isolated trauma, this multiple-trauma gene expression analysis provides a notable study analysing reference genes in primarily affected (i.e. bone/fracture callus and hypothalamus) and secondarily affected organs (i.e. white adipose tissue, liver, muscle and spleen), following experimental long bone fracture and traumatic brain injury. We considered tissue-specific and commonly used top-ranked reference candidates from different functional groups that were evaluated applying the established expression stability analysis tools NormFinder, GeNorm, BestKeeper and RefFinder. In conclusion, reference gene expression in primary organs is highly time point as well as tissue-specific, and therefore requires careful evaluation for qRT-PCR analysis. Furthermore, the general application of Ppia, particularly in combination with a second reference gene, is strongly recommended for the analysis of systemic effects in the case of indirect trauma affecting secondary organs through local and systemic pathophysiological responses.
Gene polymorphisms and serum levels of sVEGFR-1 in patients with systemic lupus erythematosus
Authors: Yuan Zhi-Chao , Xu Wang-Dong , Wang Jia-Min , Wu Qian , Zhou Jie , Huang An-Fang 
Published: September 2020

AbstractCorrelation between soluble vascular endothelial growth factor receptor-1 (sVEGFR-1) concentration, VEGFR1 gene polymorphisms and systemic lupus erythematosus (SLE) risk remains unclear. The present case–control study comprised 254 SLE patients, 385 other rheumatic diseases patients and 390 healthy controls. Serum levels of sVEGFR-1 were detected by enzyme-linked immunosorbent assay. Seven VEGFR1 genetic variants (rs2296188, rs9943922, rs2296283, rs7324510, rs9554322, rs9582036, rs9554320) were genotyped by KASP. Serum levels of sVEGFR-1 were up-regulated in SLE and positively correlated with disease activity. Furthermore, serum sVEGFR-1 presented a distinctive elevation in SLE in comparison with other rheumatic diseases. Frequencies of allele T of rs2296283 and allele G of rs9554322 were significant lower in SLE patients (P = 0.003, P = 0.004). Frequencies of genotypes TT of rs2296188 and rs2296283 were declined in patients compared with healthy controls (P = 0.039, P = 0.033). CC genotype of rs7324510 and rs9582036 was negatively correlated with SLE risk (OR = 0.538, OR = 0.508). Distribution of GG, GC, GG + GC genotypes of rs9554322 were different between SLE patients and healthy controls (P = 0.027, P = 0.036, P = 0.010). Moreover, frequency of TC genotype of rs7324510 was higher in SLE patients with lupus headache (χ2 = 9.924, P = 0.039) and frequency of TC genotype of rs9943922 was lower in patients with cylindruriain (χ2 = 7.589, P = 0.026). Frequencies of allele C of rs7324510 and allele T of rs9943922 were decreased in SLE patients with cylindruria and hypocomplementemia, respectively (χ2 = 4.195, P = 0.041, χ2 = 3.971, P = 0.046). However, frequency of allele C of rs9554322 was increased in SLE patients with pyuria (χ2 = 11.702, P = 0.001). In addition, SLE patients carrying GG, GC, CC genotypes for rs9554322 had higher levels of serum sVEGFR-1. In conclusion, serum sVEGFR-1 was elevated in SLE patients and may be a disease marker. VEGFR1 gene polymorphisms related to risk of SLE in a Chinese Han population.