bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of the EURO‐CORDEX Regional Climate Models Over the Iberian Peninsula: Observational Uncertainty Analysis
Authors: Herrera S. , Soares P. M. M. , Cardoso R. M. , Gutiérrez J. M.
Published: May 2020

This work evaluates the daily precipitation and mean temperature of eight CORDEX‐EUR11 ERA‐Interim‐driven simulations of EURO‐CORDEX over the Iberian Peninsula (IP) for the period 1989–2008. To this aim, three observational data sets (Iberia01, E‐OBS‐v19e, and MESAN‐0.11) were considered as reference and compared with the models by means of several indices reflecting the mean and extreme regimes over the IP. For precipitation the Lamb weather types were considered to identify synoptic conditions related with higher observational uncertainty. RCMs are able to reproduce the spatial pattern and the variability observed in the IP. However, there is a higher agreement between models and observations for mean temperature than for precipitation, decreasing when extremes are analyzed. For the observational uncertainty analysis, also extreme daily temperatures were considered to obtain a wider picture of this topic. A higher dependence on the observational data set has been found for precipitation than for temperature. This uncertainty is particularly significant when the 50‐year return value is considered for which the observational uncertainty doubles the model uncertainty. Only the wet‐day frequency presents values lower than 0.5 for all seasons, with most of the rest of values reflecting a similar contribution of both components to the uncertainty. In the case of temperatures, the main contribution of the observations has been found when the lower (MAE01) and upper (MAE99) extremes are considered, with values lower than 0.5. For precipitation the observational uncertainty increases when synoptic patterns affecting the Mediterranean Basin are considered, reflecting the difficulty to properly capture the Mediterranean precipitation regimes.
Astrocytic BDNF and TrkB regulate severity and neuronal activity in mouse models of temporal lobe epilepsy
Authors: Fernández-García Sara , Sancho-Balsells Anna , Longueville Sophie , Hervé Denis , Gruart Agnès , Delgado-García José María , Alberch Jordi , Giralt Albert
Published: June 2020

Astrocytes have emerged as crucial regulators of neuronal network activity, synapse formation, and underlying behavioral and cognitive processes. Despite some pathways have been identified, the communication between astrocytes and neurons remains to be completely elucidated. Unraveling this communication is crucial to design potential treatments for neurological disorders like temporal lobe epilepsy (TLE). The BDNF and TrkB molecules have emerged as very promising therapeutic targets. However, their modulation can be accompanied by several off-target effects such as excitotoxicity in case of uncontrolled upregulation or dementia, amnesia, and other memory disorders in case of downregulation. Here, we show that BDNF and TrkB from astrocytes modulate neuronal dysfunction in TLE models. First, conditional overexpression of BDNF from astrocytes worsened the phenotype in the lithium-pilocarpine mouse model. Our evidences pointed out to the astrocytic pro-BDNF isoform as a major player of this altered phenotype. Conversely, specific genetic deletion of BDNF in astrocytes prevented the increase in the number of firing neurons and the global firing rate in an in vitro model of TLE. Regarding to the TrkB, we generated mice with a genetic deletion of TrkB specifically in hippocampal neurons or astrocytes. Interestingly, both lines displayed neuroprotection in the lithium-pilocarpine model but only the mice with genetic deletion of TrkB in astrocytes showed significantly preserved spatial learning skills. These data identify the astrocytic BDNF and TrkB molecules as promising therapeutic targets for the treatment of TLE.
Defective NADPH production in mitochondrial disease complex I causes inflammation and cell death
Authors: Balsa Eduardo , Perry Elizabeth A. , Bennett Christopher F. , Jedrychowski Mark , Gygi Steven P. , Doench John G. , Puigserver Pere
Published: June 2020

Electron transport chain (ETC) defects occurring from mitochondrial disease mutations compromise ATP synthesis and render cells vulnerable to nutrient and oxidative stress conditions. This bioenergetic failure is thought to underlie pathologies associated with mitochondrial diseases. However, the precise metabolic processes resulting from a defective mitochondrial ETC that compromise cell viability under stress conditions are not entirely understood. We design a whole genome gain-of-function CRISPR activation screen using human mitochondrial disease complex I (CI) mutant cells to identify genes whose increased function rescue glucose restriction-induced cell death. The top hit of the screen is the cytosolic Malic Enzyme (ME1), that is sufficient to enable survival and proliferation of CI mutant cells under nutrient stress conditions. Unexpectedly, this metabolic rescue is independent of increased ATP synthesis through glycolysis or oxidative phosphorylation, but dependent on ME1-produced NADPH and glutathione (GSH). Survival upon nutrient stress or pentose phosphate pathway (PPP) inhibition depends on compensatory NADPH production through the mitochondrial one-carbon metabolism that is severely compromised in CI mutant cells. Importantly, this defective CI-dependent decrease in mitochondrial NADPH production pathway or genetic ablation of SHMT2 causes strong increases in inflammatory cytokine signatures associated with redox dependent induction of ASK1 and activation of stress kinases p38 and JNK. These studies find that a major defect of CI deficiencies is decreased mitochondrial one-carbon NADPH production that is associated with increased inflammation and cell death.
AcrIF9 tethers non-sequence specific dsDNA to the CRISPR RNA-guided surveillance complex
Authors: Hirschi Marscha , Lu Wang-Ting , Santiago-Frangos Andrew , Wilkinson Royce , Golden Sarah M. , Davidson Alan R. , Lander Gabriel C. , Wiedenheft Blake
Published: June 2020

Bacteria have evolved sophisticated adaptive immune systems, called CRISPR-Cas, that provide sequence-specific protection against phage infection. In turn, phages have evolved a broad spectrum of anti-CRISPRs that suppress these immune systems. Here we report structures of anti-CRISPR protein IF9 (AcrIF9) in complex with the type I-F CRISPR RNA-guided surveillance complex (Csy). In addition to sterically blocking the hybridization of complementary dsDNA to the CRISPR RNA, our results show that AcrIF9 binding also promotes non-sequence-specific engagement with dsDNA, potentially sequestering the complex from target DNA. These findings highlight the versatility of anti-CRISPR mechanisms utilized by phages to suppress CRISPR-mediated immune systems.
Integrated omics in Drosophila uncover a circadian kinome
Authors: Wang Chenwei , Shui Ke , Ma Shanshan , Lin Shaofeng , Zhang Ying , Wen Bo , Deng Wankun , Xu Haodong , Hu Hui , Guo Anyuan , Xue Yu , Zhang Luoying
Published: June 2020

Most organisms on the earth exhibit circadian rhythms in behavior and physiology, which are driven by endogenous clocks. Phosphorylation plays a central role in timing the clock, but how this contributes to overt rhythms is unclear. Here we conduct phosphoproteomics in conjunction with transcriptomic and proteomic profiling using fly heads. By developing a pipeline for integrating multi-omics data, we identify 789 (~17%) phosphorylation sites with circadian oscillations. We predict 27 potential circadian kinases to participate in phosphorylating these sites, including 7 previously known to function in the clock. We screen the remaining 20 kinases for effects on circadian rhythms and find an additional 3 to be involved in regulating locomotor rhythm. We re-construct a signal web that includes the 10 circadian kinases and identify GASKET as a potentially important regulator. Taken together, we uncover a circadian kinome that potentially shapes the temporal pattern of the entire circadian molecular landscapes.
Dynamics of the 4D genome during in vivo lineage specification and differentiation
Authors: Oudelaar A. Marieke , Beagrie Robert A. , Gosden Matthew , de Ornellas Sara , Georgiades Emily , Kerry Jon , Hidalgo Daniel , Carrelha Joana , Shivalingam Arun , El-Sagheer Afaf H. , Telenius Jelena M. , Brown Tom , Buckle Veronica J. , Socolovsky Merav , Higgs Douglas R. , Hughes Jim R.
Published: June 2020

Mammalian gene expression patterns are controlled by regulatory elements, which interact within topologically associating domains (TADs). The relationship between activation of regulatory elements, formation of structural chromatin interactions and gene expression during development is unclear. Here, we present Tiled-C, a low-input chromosome conformation capture (3C) technique. We use this approach to study chromatin architecture at high spatial and temporal resolution through in vivo mouse erythroid differentiation. Integrated analysis of chromatin accessibility and single-cell expression data shows that regulatory elements gradually become accessible within pre-existing TADs during early differentiation. This is followed by structural re-organization within the TAD and formation of specific contacts between enhancers and promoters. Our high-resolution data show that these enhancer-promoter interactions are not established prior to gene expression, but formed gradually during differentiation, concomitant with progressive upregulation of gene activity. Together, these results provide new insight into the close, interdependent relationship between chromatin architecture and gene regulation during development.
Evidence for quark-matter cores in massive neutron stars
Authors: Annala Eemeli , Gorda Tyler , Kurkela Aleksi , Nättilä Joonas , Vuorinen Aleksi
Published: June 2020

The theory governing the strong nuclear force—quantum chromodynamics—predicts that at sufficiently high energy densities, hadronic nuclear matter undergoes a deconfinement transition to a new phase of quarks and gluons1. Although this has been observed in ultrarelativistic heavy-ion collisions2,3, it is currently an open question whether quark matter exists inside neutron stars4. By combining astrophysical observations and theoretical ab initio calculations in a model-independent way, we find that the inferred properties of matter in the cores of neutron stars with mass corresponding to 1.4 solar masses (M⊙) are compatible with nuclear model calculations. However, the matter in the interior of maximally massive stable neutron stars exhibits characteristics of the deconfined phase, which we interpret as evidence for the presence of quark-matter cores. For the heaviest reliably observed neutron stars5,6 with mass M ≈ 2M⊙, the presence of quark matter is found to be linked to the behaviour of the speed of sound cs in strongly interacting matter. If the conformal bound $${c}_{\rm{s}}^{2}\le 1/3$$

c

s

2

≤
1
/
3

(ref. 7) is not strongly violated, massive neutron stars are predicted to have sizable quark-matter cores. This finding has important implications for the phenomenology of neutron stars and affects the dynamics of neutron star mergers with at least one sufficiently massive participant.
Direct Visualization of Perm-Selective Ion Transportation
Authors: Kim Wonseok , Lee Jungeun , Yun Gunsu , Sung Gun Yong , Kim Sung Jae
Published: June 2020

Perm-selective ion transportation in a nanoscale structure such as nanochannel, nanoporous membrane or nanojunction has been extensively studied with aids of nanofabrication technology for a decade. While theoretical and experimental advances pushed the phenomenon to seminal innovative applications, its basic observation has relied only on an indirect analysis such as current-voltage relation or fluorescent imaging adjacent to the nanostructures. Here we experimentally, for the first time, demonstrated a direct visualization of perm-selective ion transportation through the nanoscale space using an ionic plasma generation. A micro/nanofluidic device was employed for a micro bubble formation, plasma negation and penetration of the plasma along the nanojunction. The direct observation provided a keen evidence of perm-selectivity, i.e. allowing cationic species and rejecting anionic species. Furthermore, we can capture the plasma of lithium, which has lower mobility than sodium in aqueous state, passed the nanojunction faster than sodium due to the absence of hydrated shells around lithium. This simple, but essential visualization technique would be effective means not only for advancing the fundamental nanoscale electrokinetic study as well as interfacial ion transportation between liquid and plasma but also for providing the insight of new innovative engineering applications.
Comparison of Balloon Pulmonary Angioplasty and Pulmonary Vasodilators for Inoperable Chronic Thromboembolic Pulmonary Hypertension: A Systematic Review and Meta-Analysis
Authors: Kalra Rajat , Duval Sue , Thenappan Thenappan , Raveendran Ganesh , Pritzker Marc , Prisco Sasha Z. , Prins Kurt W.
Published: June 2020

Treatment options for chronic thromboembolic pulmonary hypertension (CTEPH) that is not amenable to thromboendarterectomy or is recurrent/persistent after thromboendarterectomy (inoperable CTEPH) include pulmonary vasodilators or balloon pulmonary angioplasty (BPA). We compared efficacy and safety outcomes of BPA with or without pulmonary vasodilators to pulmonary vasodilator therapy alone in patients with inoperable CTEPH. Observational and randomized trial data reporting outcomes for >5 patients with inoperable CTEPH were sought. Single-arm random effects meta-analyses were performed. The primary outcome was change in six-minute walk distance (6MWD). Secondary outcomes included safety; World Health Organization functional class (WHO FC); and change in mean pulmonary arterial pressure (mPAP), pulmonary vascular resistance (PVR), and cardiac index. Thirty-four studies with 1604 patients were eligible for analyses. Both treatments resulted in significant improvement in 6MWD (71.0 meters, 95% CI: 47.4–94.5 meters with BPA versus 47.8 meters, 95% CI: 34.5–61.2 meters with pulmonary vasodilators), PVR [−3.1 Wood Units (WU), 95% CI: −4.9 to −1.4 WU versus −1.6 WU, 95% CI: −2.4 to −0.8 WU] and mPAP (−14.8 mmHg, 95% CI: −18.2 to −11.5 mmHg versus −4.9 mmHg, 95% CI: −6.9 to −2.8 mmHg). Cardiac index was similar and most patients were WHO FC II and III after their respective interventions. More complications occurred in the BPA arm. In conclusion, BPA and pulmonary vasodilators both improve 6MWD and hemodynamics in patients with inoperable CTEPH. While BPA may offer greater functional and hemodynamic improvements, this technique carries the accompanying risks of an invasive procedure.
Osteonecrosis of Femoral Head, An Overlooked Long-Term Complication after Paraquat Intoxication: A Retrospective Cohort Study
Authors: Chan Ming-Jen , Huang Chien-Chang , Hu Ching-Chih , Huang Wen-Hung , Hsu Ching-Wei , Yen Tzung-Hai , Weng Cheng-Hao
Published: June 2020

With increasing numbers of patients surviving acute intoxication phase, long-term complication after paraquat intoxication is a topic worth exploring, such as osteonecrosis (ON) of femoral head. We reviewed 86 paraquat-intoxicated survivors between 2000 and 2012 in Chang Gung Memorial Hospital, a 3700-bed tertiary hospital in Taiwan. With all the patients underwent same detoxification protocol in the acute stage, 17.4% of paraquat poisoning survivors developed ON of femoral head requiring surgery during follow up. Most of ON episodes occurred within 2 to 4 years after paraquat intoxication and then plateau after 6 years. ON patients exhibited higher SOFA scores than non-ON patients (2.80 ± 2.14 vs. 1.76 ± 1.52, p = 0.028). Furthermore, AKIN scores are also higher in the ON patients than non-ON patients (0.87 ± 1.13 vs. 0.38 ± 0.74, p = 0.040). Multivariate logistic regression showed higher AKIN score and higher partial pressure of carbon dioxide in the blood 48 hours after admission significantly predicted ON of femoral head after paraquat intoxication (p = 0.002 and p = 0.006 respectively). Larger studies with longer follow-up durations are warranted to confirm our finding.
Flavonoid epimers from custard apple leaves, a rapid screening and separation by HSCCC and their antioxidant and hypoglycaemic activities evaluation
Authors: Zhu Heng , Chen Long , Yu Jinqian , Cui Li , Ali Iftikhar , Song Xiangyun , Park Jeong Hill , Wang Daijie , Wang Xiao
Published: June 2020

Leaves of custard apple are widely used in many places as a popular dietary supplement for the treatment of diabetes. Flavonoids are known to have anti-diabetic activity. In this study, the main flavonoid epimers were separated. The crude extract was first screened by HPLC-DAD before and after incubation with DPPH method to evaluate the antioxidants. An efficient extraction method was employed to remove non-flavonoid components. Subsequently, five main flavonoids with two pairs of epimers including quercetin-3-O-robinobioside, rutin, quercetin-3-O-β-D-glucoside, kaempferol-3-O-robinobioside, and kaempferol-3-O-rutinoside were successfully separated by high-speed counter-current chromatography with ethyl acetate/n-butanol/water (4:1:5, v/v) coupled with online-storage inner-recycling mode. The structures of the separated compounds were identified by spectral techniques. The purity of the separated flavonoid glycosides was over 98%, as determined by HPLC. The separated pure constituents were found to possess the antioxidant capacities following DPPH radical scavenging protocol. The compounds (1-3) exhibited better antioxidant activity. Furthermore, the glucose uptake of crude flavonoid extract had better results than the crude ethanol extract. The present study demonstrates that the efficacy of custard apple leaves in lowering glucose level, and antioxidant capacities of separated pure compounds probably appear to be predominantly responsible for hypoglycaemic properties on HepG2 cells.
A meta-analysis to assess long-term spatiotemporal changes of benthic coral and macroalgae cover in the Mexican Caribbean
Authors: Contreras-Silva Ameris I. , Tilstra Arjen , Migani Valentina , Thiel Andra , Pérez-Cervantes Esmeralda , Estrada-Saldívar Nuria , Elias-Ilosvay Xochitl , Mott Claudius , Alvarez-Filip Lorenzo , Wild Christian
Published: June 2020

Coral reefs in the wider Caribbean declined in hard coral cover by ~80% since the 1970s, but spatiotemporal analyses for sub-regions are lacking. Here, we explored benthic change patterns in the Mexican Caribbean reefs through meta-analysis between 1978 and 2016 including 125 coral reef sites. Findings revealed that hard coral cover decreased from ~26% in the 1970s to 16% in 2016, whereas macroalgae cover increased to ~30% in 2016. Both groups showed high spatiotemporal variability. Hard coral cover declined in total by 12% from 1978 to 2004 but increased again by 5% between 2005 and 2016 indicating some coral recovery after the 2005 mass bleaching event and hurricane impacts. In 2016, more than 80% of studied reefs were dominated by macroalgae, while only 15% were dominated by hard corals. This stands in contrast to 1978 when all reef sites surveyed were dominated by hard corals. This study is among the first within the Caribbean region that reports local recovery in coral cover in the Caribbean, while other Caribbean reefs have failed to recover. Most Mexican Caribbean coral reefs are now no longer dominated by hard corals. In order to prevent further reef degradation, viable and reliable conservation alternatives are required.
Determining correlates of the average number of cigarette smoking among college students using count regression models
Authors: Sharareh Parami , Leili Tapak , Abbas Moghimbeigi , Jalal Poorolajal , Ali Ghaleiha
Published: June 2020

College students, as a large part of young adults, are a vulnerable group to several risky behaviors including smoking and drug abuse. This study aimed to utilize and to compare count regression models to identify correlates of cigarette smoking among college students. This was a cross-sectional study conducted on students of Hamadan University of Medical Sciences. The Poisson, negative binomial, generalized Poisson, exponentiated-exponential geometric regression models and their zero-inflated counterparts were fitted and compared using the Vuong test (α = 0.05). A number of 1258 students participated in this study. The majority of students were female (60.8%) and their average age was 23 years. Most of the students were non-smokers (84.6%). Negative binomial regression was selected as the most appropriate model for analyzing the data (comparable fit and simpler interpretation). The significant correlates of the number of cigarettes smoked per day included gender (male: incident-rate-ratio (IRR = 9.21), birth order (Forth: IRR = 1.99), experiencing a break-up (IRR = 2.11), extramarital sex (heterosexual (IRR = 2.59), homosexual (IRR = 3.13) vs. none), and drug abuse (IRR = 5.99). Our findings revealed that several high-risk behaviors were associated with the intensity of smoking, suggesting that these behaviors should be considered in smoking cessation intervention programs for college students.
HDO production from [2H7]glucose Quantitatively Identifies Warburg Metabolism
Authors: Mahar Rohit , Donabedian Patrick L. , Merritt Matthew E.
Published: June 2020

Increased glucose uptake and aerobic glycolysis are striking features of many cancers. These features have led to many techniques for screening and diagnosis, but many are expensive, less feasible or have harmful side-effects. Here, we report a sensitive 1H/2H NMR method to measure the kinetics of lactate isotopomer and HDO production using a deuterated tracer. To test this hypothesis, HUH-7 hepatocellular carcinoma and AML12 normal hepatocytes were incubated with [2H7]glucose. 1H/2H NMR data were recorded for cell media as a function of incubation time. The efflux rate of lactate-CH3, lactate-CH2D and lactate-CHD2 was calculated as 0.0033, 0.0071, and 0.0.012 µmol/106cells/min respectively. Differential production of lactate isotopomers was due to deuterium loss during glycolysis. Glucose uptake and HDO production by HUH-7 cells showed a strong correlation, indicating that monitoring the HDO production could be a diagnostic feature in cancers. Deuterium mass balance of [2H7]glucose uptake to 2H-lactate and HDO production is quantitatively matched, suggesting increasing HDO signal could be used to diagnose Warburg (cancer) metabolism. Measuring the kinetics of lactate isotopomer and HDO production by 1H and 2H MR respectively are highly sensitive. Increased T1 of 2H-lactate isotopomers indicates inversion/saturation recovery methods may be a simple means of generating metabolism-based contrast.
A simple approach to prepare self-assembled, nacre-inspired clay/polymer nanocomposites
Authors: Xu P. , Erdem T. , Eiser E.
Published: June 2020

Inspired by the relationship between the ordered architecture of aragonite crystals and biopolymers found in natural nacre, we present a facile strategy to construct organic/inorganic nanocomposites with hierarchical structure via a water-evaporation driven self-assembly process.
Application of molecularly imprinted polymers in the anti-doping field: sample purification and compound analysis
Authors: Hand Rachel A. , Piletska Elena , Bassindale Thomas , Morgan Geraint , Turner Nicholas
Published: June 2020

A detailed review focussing on the WADA prohibited list, exploring the potential application of molecularly imprinted polymers in anti-doping.
Anchoring of black phosphorus quantum dots onto WO3 nanowires to boost photocatalytic CO2 conversion into solar fuels
Authors: Gao Wa , Bai Xiaowan , Gao Yuying , Liu Jinqiu , He Huichao , Yang Yong , Han Qiutong , Wang Xiaoyong , Wu Xinglong , Wang Jinlan , Fan Fengtao , Zhou Yong , Li Can , Zou Zhigang
Published: May 2020

A 0D–1D direct Z-scheme heterojunction consisting of black phosphorus quantum dots (BPQDs) anchored onto WO3 nanowires was well designed.
Sustainable synthesis of 1,2,3,4-cyclohexanetetracarboxylate from sugar-derived carboxylic acids
Authors: Lu Rui , Jiang Huifang , Si Xiaoqin , Luo Xiaolin , Lu Fang , Xu Jie
Published: June 2020

A sustainable route for the production of 1,2,3,4-cyclohexanetetracarboxylate from sugar-derived carboxylic acids is presented.
Improved photocatalytic performance of metal–organic frameworks for CO2 conversion by ligand modification
Authors: Cheng Xiuyan , Zhang Jianling , Tan Xiuniang , Zheng Lirong , Tan Dongxing , Liu Lifei , Chen Gang , Wan Qiang , Zhang Bingxing , Zhang Fanyu , Su Zhuizhui , Han Buxing , Zhang Jing
Published: June 2020

Here we demonstrate for the first time the greatly improved performance of NH2-UiO-66 by 2,4,6-tris(4-pyridyl)pyridine modification for photocatalytic CO2RR.
Targeting specific cell organelles with different-faceted nanocrystals that are selectively recognized by organelle-targeting peptides
Authors: Yu Qilin , Wu Guizhu , Zhang Tong , Zhao Xudong , Zhou Zhen , Liu Lu , Chen Wei , Alvarez Pedro J. J.
Published: June 2020

Targeting specific cellular organelles is an elusive therapeutic goal that could be achieved by manipulating nanocrystal facets.
N-Heterocyclic silylene/germylene ligands in Au(i) catalysis
Authors: Parvin Nasrina , Mishra Bijoyananda , George Anjana , Neralkar Mahesh , Hossain Jabed , Parameswaran Pattiyil , Hotha Srinivas , Khan Shabana
Published: June 2020

N-Heterocyclic carbene, silylene and germylene ligand-based cationic Au(i)–arene complexes were prepared and employed as catalysts in the glycosidation reaction.
Synergistically boosting the oxygen evolution reaction of an Fe-MOF via Ni doping and fluorination
Authors: Liu Hui , Zha Meng , Liu Zong , Tian Jingqi , Hu Guangzhi , Feng Ligang
Published: June 2020

An efficient approach to boost the oxygen evolution activity of Fe-MOF nanorods was demonstrated by a synergistic strategy of Ni doping and fluorination.
Substitution pattern controlled aggregation-induced emission in donor–acceptor–donor dyes with one and two propeller-like triphenylamine donors
Authors: Nirmalananthan-Budau Nithiya , Budau Johannes Horst , Moldenhauer Daniel , Hermann Gunter , Kraus Werner , Hoffmann Katrin , Paulus Beate , Resch-Genger Ute
Published: June 2020

We present a comparative study of the spectroscopic properties of the donor–acceptor–donor substituted dyes triphenylamine-allylidenemalononitrile-julolidine (TMJ) and triphenylamine-allylidenemalononitrile-triphenylamine (TMT), bearing one and two propeller-like triphenylamine donor moieties, in solvents of varying polarity and viscosity and in the aggregated and solid state.
The transformation of cuboctahedral to icosahedral nanoparticles: atomic structure and dynamics
Authors: Plessow Philipp N.
Published: June 2020

The rearrangement of transition metal nanoparticles from cuboctahedral to icosahedral structures is studied for up to 923 atoms.
Configuration effect in polyoxometalate-based dyes on the performance of DSSCs: an insight from a theoretical perspective
Authors: Gao Yu , Guan Wei , Wang Xue-Song , Jia Ran , Yan Li-Kai , Su Zhong-Min
Published: May 2020

The electronic properties of dyes can be readily tuned by modifying the structure.
A bioinorganic chemistry perspective on the roles of metals as drugs and targets againstMycobacterium tuberculosis– a journey of opportunities
Authors: Lopes Luiz G. F. , Carvalho Edinilton Muniz , Sousa Eduardo H. S.
Published: June 2020

Bioinorganic approaches in developing metallodrugs for tuberculosis are discussed, along with our understanding of key metalloproteins with drug target opportunities.
Late first-row transition metal complexes of a 17-membered piperazine-based macrocyclic ligand: structures and magnetism
Authors: Zahradníková Eva , Herchel Radovan , Šalitroš Ivan , Císařová Ivana , Drahoš Bohuslav
Published: June 2020

Three different coordination numbers and moderate/large magnetic anisotropy were observed in transition metal complexes of a 17-membered piperazine-based macrocyclic ligand.
An open-source tool for predictive simulation of diffusion flames in analytical chemistry
Authors: Obrusník Adam , Dědina Jiří , Dvořák Pavel
Published: June 2020

This work presents an open-source computational model of gas flow and hydrogen combustion in a miniature diffusion flame atomizer.
Microfluidic particle zipper enables controlled loading of droplets with distinct particle types
Authors: Delley Cyrille L. , Abate Adam R.
Published: June 2020

We describe a microfluidic particle zipper which enables hydrogel bead pairing at high throughput for single-cell genomic applications.
High-throughput screening by droplet microfluidics: perspective into key challenges and future prospects
Authors: Payne Emory M. , Holland-Moritz Daniel A. , Sun Shuwen , Kennedy Robert T.
Published: June 2020

This perspective outlines the major challenges and future prospects for the field of droplet microfluidics for high throughput screening applications.
Controlling interface properties for enhanced photocatalytic performance: a case-study of CuO/TiO2 nanobelts
Authors: Zhuang Huaqiang , Zhang Siying , Lin Manru , Lin Liqin , Cai Zhenping , Xu Wentao
Published: June 2020

In this work, CuO/TiO2 nanobelts were designed and fabricated to study the photocatalytic oxidation process using a facile strategy.
Two types of two-step mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles
Authors: Takahashi Shohei , Nagai Sayaka , Asami Masatoshi , Ito Suguru
Published: June 2020

Two types of two-step mechanochromic luminescence (MCL) as well as bicolor MCL have been achieved by changing the R substituent.
Fe/Fe3C encapsulated in nitrogen source-mediated active-N-rich defective carbon nanotubes for bifunctional oxygen catalysis
Authors: Yang Fuwen , Lei Ying , Xie Huaming , Zhang Dandan , Huang Renxing , Liu Xingyong , Wang Honghui
Published: June 2020

Fe-N-OCNT as a bifunctional catalyst displays an excellent performance and its possible chemical components contribute to its activity.
Terbium(iii)-coated carbon quantum dots for the detection of clomipramine through aggregation-induced emission from the analyte
Authors: Kaur Gurpreet , Chaudhary Monika , Jena Kailash C. , Singh Narinder
Published: June 2020

CQD-Tb: a selective chemosensor for detecting the antidepressant drug clomipramine in aqueous media.
Predicting coated-nanoparticle drug release systems with perturbation-theory machine learning (PTML) models
Authors: Santana Ricardo , Zuluaga Robin , Gañán Piedad , Arrasate Sonia , Onieva Enrique , González-Díaz Humbert
Published: June 2020

We combine Perturbation Theory and Machine Learning (PTML algorithm) to train a model able to predicting the best components for Nanoparticle Drug Delivery Systems (DDNS).
Recent advances in the catalytic synthesis of 3-aminooxindoles: an update
Authors: Kaur Jasneet , Kaur Banni Preet , Chimni Swapandeep Singh
Published: June 2020

3-Substituted-3-aminooxindoles are versatile scaffolds and these motifs constitute the core structure of number of natural products and biologically active compounds.
Belonging in general chemistry predicts first-year undergraduates’ performance and attrition
Authors: Fink Angela , Frey Regina F. , Solomon Erin D.
Published: June 2020

Feeling a sense of belonging in a learning environment can have positive effects on student success. The impact of this psychosocial variable on undergraduates’ achievement and retention has been demonstrated in STEM disciplines, especially for women within physical sciences where large disparities in gender representation persist. The current study explores the relationship between belonging and student success in undergraduate chemistry, where greater gender parity has recently emerged. In particular, this research investigates the belonging of first-year students enrolled in a two-semester General Chemistry course sequence. The study begins by examining whether students’ early sense of belonging in the course, indexed by two survey measures (perceived belonging, belonging uncertainty) varies depending on their demographics and academic preparation. The belonging measures are then used as predictors of performance in General Chemistry 1 and 2 and attrition from one semester to the next. Paralleling research in other STEM disciplines, the results show that female students, especially those from underrepresented minority groups, reported lower belonging and higher uncertainty than male students within the first weeks of the course. After accounting for demographics, preparation, and participation in a course supplemental program, the belonging measures predicted performance and attrition for all students. These findings suggest that course-level belonging in General Chemistry can have practical consequences for student success, and early disparities in belonging may have downstream effects on the retention of women and other groups underrepresented in STEM. Strategies for creating an inclusive and engaging environment that supports the success of all students are discussed.
CuA-based chimeric T1 copper sites allow for independent modulation of reorganization energy and reduction potential
Authors: Szuster Jonathan , Zitare Ulises A. , Castro María A. , Leguto Alcides J. , Morgada Marcos N. , Vila Alejandro J. , Murgida Daniel H.
Published: June 2020

Attaining rational modulation of thermodynamic and kinetic redox parameters of metalloproteins is a key milestone towards the (re)design of proteins with new or improved redox functions.
ABC triblock bottlebrush copolymer-based injectable hydrogels: design, synthesis, and application to expanding the therapeutic index of cancer immunochemotherapy
Authors: Vohidov Farrukh , Milling Lauren E. , Chen Qixian , Zhang Wenxu , Bhagchandani Sachin , Nguyen Hung V.-T. , Irvine Darrell J. , Johnson Jeremiah A.
Published: June 2020

Triblock bottlebrush copolymers with an "ABC" sidechain sequence form thermally reversible hydrogels for sustained delivery of paclitaxel and resiquimod, improving the efficacy and safety of this potent cancer immunochemotherapy.
Microrheological characterization of covalent adaptable hydrogel degradation in response to temporal pH changes that mimic the gastrointestinal tract
Authors: Wu Nan , Schultz Kelly M.
Published: June 2020

This work provides a new experimental platform to simultaneously mimic the pH environment in the GI tract and characterize the degradation of a covalent adaptable hydrogel to determine viability of this material as an oral delivery vehicle.
The Krüppel-like factor 15-NFATc1 axis ameliorates podocyte injury: a novel rationale for using glucocorticoids in proteinuria diseases
Authors: Dou Caoshuai , Zhang Hong , Ke Guibao , Zhang Li , Lian Zhiwen , Chen Xueqin , Zhao Xingchen , Chen Yuanhan , Li Ruizhao , Ma Jianchao , Li Zhuo , Lin Ting , Wang Wenjian , Ye Zhi ming , Liang Xinling , Shi Wei , Zhang Bin , Liu Shuangxin
Published: June 2020

Podocyte injury and loss contribute to proteinuria, glomerulosclerosis and eventually kidney failure. Recent studies have demonstrated that the loss of Kruppel-like factor 15 (KLF15) in podocytes increases the susceptibility to injury; however, the mechanism underlying the protective effects on podocyte injury remains incompletely understood. Herein, we showed that KLF15 ameliorates podocyte injury through suppressing NFAT signaling and the salutary effects of the synthetic glucocorticoid dexamethasone in podocyte were partially mediated by the KLF15–NFATc1 axis. We found that KLF15 was significantly reduced in glomerular cells of proteinuric patients and in ADR-, LPS- or HG-treated podocyets in vitro. Overexpression of KLF15 attenuated podocyte apoptosis induced by ADR, LPS or HG and resulted in decreased expression of pro-apoptotic Bax and increased expression of anti-apoptotic Bcl-2. Conversely, the flow cytometry analysis and TUNEl assay demonstrated that loss of KLF15 accelerated podocyte apoptosis and we further found that 11R-VIVIT, a specific NFAT inhibitor, and NFATc1–siRNA rescued KLF15-deficient induced podocyte apoptosis. Meanwhile, Western blot and RT-qPCR showed that the expression of NFATc1 was up-regulated in KLF15 silenced podocytes and reduced in KLF15 overexpressed podocytes. Mechanistically, ChIP analysis showed that KLF15 bound to the NFATc1 promoter region -1984 to -1861base pairs upstream of the transcription start site and the binding amount was decreased after treatment with LPS. The dual-luciferase reporter assay indicated that NFATc1 was a direct target of KLF15. In addition, we found that in vitro treatment with dexamethasone induced a decrease of NFATc1 expression in podocytes and was abrogated by knockdown of KLF15. Hence, our results identify the critical role of the KLF15–NFATc1 axis in podocyte injury and loss, which may be involved in mediating the salutary effects of dexamethasone in podocytes.
Attention‐guided adaptation factors for unsupervised facial domain adaptation
Authors: Hong Sungeun , Ryu Jongbin
Published: May 2020

In this Letter, the authors introduce attention‐guided domain adaptation networks for face recognition under the unsupervised setting. Recently, there has been a dramatic increase in demand for real‐world face recognition problems under severe domain shifts. Adversarial learning of the domain adaptation network has shown promising results for this problem. However, this approach has limitations in manually setting the adaptation factor that controls the trade‐off between feature discriminability and domain‐invariance. To address this critical issue, the authors propose attention‐guided domain adaptation networks that can learn the optimal adaptation factor without the manual configurations. The proposed attention‐guided module is applied to both category classifier and domain discriminator in a channel‐wise manner. By learning the optimal adaptation factor for each channel, the proposed networks successfully align the source domain to the target domain and show state‐of‐the‐art performance on the public datasets.
Hybrid virtual impedance‐based control strategy for DFIG in hybrid wind farm to disperse negative sequence current during network unbalance
Authors: Wang Tao , Nian Heng , Zhu Ziqiang
Published: May 2020

When a hybrid wind farm based on doubly fed induction generator (DFIG) and fixed speed induction generator (FSIG) is connected to an unbalanced network, most of the negative sequence current caused by the unbalanced grid will be centralised at the FSIG for its inherent small negative sequence output impedance (NSOI). The centralised negative sequence current can cause significant torque pulsation in the drive train of FSIG, which may go beyond the pressure endurance of the drive train and cause some damages. Meanwhile, losses and risks of overcurrent and grid code violation can also be increased. This study presents a control strategy for DFIG in hybrid wind farm during network unbalance, which can disperse the negative sequence current and the consequent pressure among the three parallel power sources without communication, i.e. among the DFIG stator, the grid side converter (GSC), and the FSIG, rather than centralising the pressure at any of them. In order to achieve this target, a novel hybrid virtual impedance method is proposed to flexibly control the NSOI of the DFIG stator and the GSC from zero to infinity. Theoretical analysis and simulation results are provided to verify the operation performance of the proposed strategy.
Isolated Bradycardia During Aneurysmal Clipping: Rebleed or Trigeminocardiac Reflex?
Authors: Singh Nidhi , Jangra Kiran , Regmi Sabina , Singh Apinderpreet
Published: June 2020

The most common cause of nontraumatic subarachnoid hemorrhage is the rupture of intracranial aneurysm. After initial bleed, the risk of rebleeding is highest in the early postictal period and this rebleed is strongly associated with poor neurological outcome. The major goal of anesthesia in these surgeries is to prevent the rebleed. If rebleeding occurs prior to the craniotomy, it results in the acute rise of intracranial pressure and usually presents as bradycardia and hypertension (Cushing’s reflex). Here we reported a case where rebleeding presented unusually as isolated bradycardia without associated hypertension and was mistaken as trigeminocardiac reflex. The surgeon was informed about the event and they planned to proceed. After craniotomy, despite all the efforts the brain was persistently tight and surgery could not be completed. Postoperative scan showed rebleeding and the patient died after a few days in ICU.

We highlighted in this case report the fact that isolated transient bradycardia may also be the presentation of rebleed with closed cranial vault. It is not always necessary to see all the features of Cushing’s traid in every patient. If bradycardia occurs before the craniotomy, the surgeon should be notified, the severity of bleed should be assessed, and further management should be planned according to the severity of bleed.
The learning effects of United Nations simulations in political science classrooms
Authors: Leib Julia , Ruppel Samantha
Published: June 2020

How do active learning environments—by means of simulations—enhance political science students’ learning outcomes regarding different levels of knowledge? This paper examines different UN simulations in political science courses to demonstrate their pedagogical value and provide empirical evidence for their effectiveness regarding three levels of knowledge (factual, procedural and soft skills). Despite comprehensive theoretical claims about the positive effects of active learning environments on learning outcomes, substantial empirical evidence is limited. Here, we focus on simulations to systematically test previous claims and demonstrate their pedagogical value. Model United Nations (MUNs) have been a popular teaching device in political science. To gain comprehensive data about the active learning effects of MUNs, we collect data and evaluate three simulations covering the whole range of simulation characteristics: a short in-class simulation of the UN Security Council, a regional MUN with different committees being simulated, and two delegations to the National Model United Nations, for which the students prepare for 1 year. Comparative results prove that simulations need to address certain characteristics in order to produce extensive learning outcomes. Only comprehensive simulations are able to achieve all envisioned learning outcomes regarding factual and procedural knowledge about the UN and soft skills.
On the dynamics of the angular momentum of a quantum pendulum
Authors: Ugulava A. , Toklikishvili Z. , Chkhaidze S.
Published: June 2020

The Mathieu–Schrödinger equation, which describes the behavior of a quantum pendulum, depending on the value of the parameter l (pendulum filament length), can have the symmetry of the Klein’s four-group or its invariant subgroups. The paper shows that the mean values of z-components of the angular momentum of nondegenerate quantum states (the symmetry region of the four-group) tend to zero and their root mean square fluctuations are non-zero. Consequently, in this region of parameter values, the fluctuations overlap the mean values of the angular momentum and they become indistinguishable. Therefore, it can be argued that if, with an increase in the parameter, the system goes into a non-degenerate state, then after the inversion of the parameter change and the transition to the region of degenerate states, the initial states will not be restored. This behavior of the average values of angular momenta is caused by the combined actions of two factors: discontinuous change in the system at the points of change of its symmetry and the presence of quantum fluctuations in nondegenerate states.
Decreasing the uncertainty of classical laser flash analysis using numerical algorithms robust to noise and systematic errors
Authors: Lunev Artem , Heymer Robert
Published: June 2020

The laser flash method is highly regarded due to its applicability to a wide temperature range, from cryogenic temperatures to the melting point of refractory metals, and to extreme environments involving radioactive or hazardous materials. Although instruments implementing this method are mostly produced on a commercial basis by major manufacturers, there is always room for improvement both in terms of experimental methods and data treatment procedures. The measurement noise, either due to the detector performance or electromagnetic interferences, presents a significant problem when accurate determination of thermal properties is desired. Noise resilience of the laser flash method is rarely mentioned in the published literature; there are currently no data treatment procedures that could guarantee adequate performance under any operating conditions. In this paper, a computational framework combining finite-difference solutions of the heat conduction problem with nonlinear optimization techniques based on the use of quasi-Newton direction search and stochastic linear search with the Wolfe conditions is presented. The application of this framework to data with varying level of noise is considered. Finally, cross-verification and validation using an external standard, a commercial, and an in-house built laser flash instrument are presented. The open-source software implementing the described computational method is benchmarked against its industrial counterpart.
Measurements of 2D poloidal plasma profiles and fluctuations in ECRH plasmas using the heavy ion beam probe system in the TJ-II stellarator
Authors: Sharma R. , Khabanov P. O. , Melnikov A. V. , Hidalgo C. , Cappa A. , Chmyga A. , Eliseev L. G. , Estrada T. , Kharchev N. K. , Kozachek A. S. , Krupnik L. I. , Malaquias A. , van Milligen B. , Molinero A. , de Pablos J. L. , Pastor I. , Zenin V. N.
Published: June 2020

2D poloidal contour plots of plasma potential, plasma density, and their fluctuations have been measured in low density plasmas sustained by Electron Cyclotron Resonance Heating using a heavy ion beam probe (HIBP) system in the TJ-II stellarator. A HIBP has been used in the new energy scanning mode to obtain the measurements for a 2D poloidal cross section of the stellarator. The 2D map for the absolute plasma potential shows a local maximum in the plasma core as expected in low density plasma scenarios. Fluctuations in the HIBP secondary ion current, as a proxy of plasma density fluctuations, appear both in positive and negative density gradient regions, with a normalized level of density fluctuations higher in the negative density gradient region. The TJ-II innovative experimental setup developed using a dual HIBP diagnostic paves the way for model validation on core plasma potential asymmetries and particle transport and fluctuations under positive and negative density gradient scenarios.
High precision roughness sensor based on annular core optical fiber
Authors: Quan Zhiqiang , Yuan Libo
Published: June 2020

We present a high precision fiber roughness sensor based on annular core optical fiber (ACF). The ACF has a cone-frustum-shaped tip to enable the annular core to generate a focused ring light. When the incident light passing from the ACF is focused on the rough surface to be measured, the specular light will also be collected by using the ACF, which realizes the integration of the incident optical path and collecting optical path about optical roughness detection. Because the focused ring light has a smaller spot radius than that of the emergent light of a single-mode fiber, the proposed sensor has a higher spatial resolution. Moreover, the ACF with a cone-frustum tip can reduce the diffuse light coupling into the sensor; in this way, we improve the measurement precision. The experimental results show that for the surface roughness of 10 nanoscales, the error between the measured value and the theoretical value is about 5% and the spatial resolution reaches 6 µm. Thus, our sensor can be widely used in high precision nondestructive surface roughness measurements.