bluuebunny/crossref_metadata_2025_split huggingface dataset:
Single‐Molecule Bioelectronic Label‐Free Assay of both Protein and Genomic Markers of Pancreatic Mucinous Cysts’ in Whole Blood Serum
Authors: Macchia Eleonora , Sarcina Lucia , Driescher Caroline , Gounani Zahra , Tewari Amit , Osterbacka Ronald , Palazzo Gerardo , Tricase Angelo , Kovacs Vajna Zsolt Miklos , Viola Fabrizio , Modena Francesco , Caironi Mario , Torricelli Fabrizio , Esposito Irene , Torsi Luisa 
Published: June 2021

AbstractThe timely diagnosis of cystic pancreatic cancer precursors is of utmost importance to improve patients’ low survival rate. Fine‐needle aspiration cytology is endowed with low diagnostic sensitivity, while more effective is the assay of markers, such as a mutated KRAS, in the cyst fluids. Next‐generation sequencing, detecting down to a single copy of a genomic marker, enables early diagnosis but the diagnostic sensitivity of high‐grade cysts, likely to become malignant, is low. Assaying both mutated KRAS and MUC1 protein markers can improve diagnostic accuracy. Their detection in blood would also be minimally invasive. Here, the mucinous lesions markers, KRAS and MUC1, are both successfully assayed in blood serum at the physical limit with the label‐free “Single‐Molecule assay with a large Transistor—SiMoT.” This is a compelling proof of principle that the SiMoT platform holds high potential to enable a timely, minimally invasive, and accurate diagnosis of pancreatic cancer precursor cysts.
Cyclopentadiene‐Based Hole‐Transport Material for Cost‐Reduced Stabilized Perovskite Solar Cells with Power Conversion Efficiencies Over 23%
Authors: Bauer Michael , Zhu Hongwei , Baumeler Thomas , Liu Yuhang , Eickemeyer Felix T. , Lorenz Christoph , Mena‐Osteritz Elena , Hertel Dirk , Olthof Selina , Zakeeruddin Shaik Mohammed , Meerholz Klaus , Grätzel Michael , Bäuerle Peter 
Published: June 2021

AbstractHole transport materials (HTM) are an important component in perovskite solar cells (PSC). Despite a multitude of HTMs developed in recent years, only few of them lead to solar cells with efficiencies over 20%. Therefore, it is still a challenge to develop high‐performing HTMs, which have ideal energy levels of the frontier orbitals, are highly efficient in transporting charges, and stabilize the solar cell at the same time. In this work, the development of a structurally novel molecular HTM, CPDA 1, is described which is based on a common cyclopentadiene core and can be efficiently and inexpensively synthesized from readily available starting materials, which is important for future realization of low‐cost photovoltaics on larger scale. Due to excellent optoelectronic, thermal, and transport properties, CPDA 1 not only meets the envisioned properties by reaching high efficiencies of 23.1%, which is among the highest reported to date, but also contributes to a respectable long‐term stability of the PSCs.
Toward an Understanding of the Enhanced CO2 Electroreduction in NaCl Electrolyte over CoPc Molecule‐Implanted Graphitic Carbon Nitride Catalyst
Authors: Tan Xinyi , Yu Chang , Song Xuedan , Zhao Changtai , Cui Song , Xu Hanyu , Chang Jiangwei , Guo Wei , Wang Zhao , Xie Yuanyang , Qiu Jieshan 
Published: June 2021

AbstractDirect CO2 electrolysis in seawater enables the simultaneous conversion of CO2 into CO and the chlorine ions into Cl2, further meeting downstream industry needs such as phosgene synthesis and also facilitating the net consumption of CO2. As a result, the direct implementation of CO2 electrolysis in seawater is urgently required. Herein, a CoPc molecule‐implanted graphitic carbon nitride nanosheets (CoPc/g‐C3N4) electrocatalyst is prepared via a simple mechanochemistry method. The CoPc/g‐C3N4 with a negatively charged surface and preferential adsorption capability for Na+ can achieve appreciable faradaic efficiency (FE, 89.5%) toward CO with a current density of 16.0 mA cm−2 in natural seawater and also realize long‐term operation for 25 h in simulated seawater. Process monitoring further reveals that the chlorine ions in NaCl electrolyte can modulate the reaction microenvironment around the anode, which in turn has positive effects on the CO2RR in cathode. The CO2RR overall splitting in the simulated seawater exhibits a maximum FE of 98.1% towards CO at cell voltage of 3 V. This work describes the development of a carbon‐coupled CoPc molecular catalyst that can drive the CO2 electrolysis in simulated seawater and provides a promising and energy‐saving coupled reaction system for direct coproduction of CO and Cl2.
Photoelectrochemical Water Oxidation and Longevous Photoelectric Conversion by a Photosystem II Electrode
Authors: Tian Wenjie , Zhang Huayang , Sibbons Jane , Sun Hongqi , Wang Hao , Wang Shaobin 
Published: June 2021

AbstractThe immobilization of natural photosystem II (PSII) enzyme onto an artificial electrode offers an ingenious and promising avenue for semiartificial solar energy conversion. However, this process is significantly limited by the poor stability and the short life of PSII. Here, a new prototype of a semiartificial system is reported by anchoring PSII on polyethylenimine‐coated macroporous carbon electrode with a high load. Good electronic communication is established at the biointerface of this PSII electrode, enabling excellent photoelectrochemical (PEC) water oxidation and lasting electricity generation. The maximum turnover number of 10 200 ± 1380 mol O2 per mol PSII dimer is obtained in this system at around 10 h before complete deactivation, reaching high current‐to‐O2 conversion efficiencies. The functions of PSII to release O2 both in light and dark conditions as well as for H2O2 formation are revealed. Under periodic irradiation (AM 1.5G 1 sun), this PSII electrode allows for stable mediated photocurrent output of ≈4.31 µA cm−2 after five days, which represents the most stable photoelectric performance achieved so far for PSII‐related electrodes.
Energy Storage Materials for Solid‐State Batteries: Design by Mechanochemistry
Authors: Schlem Roman , Burmeister Christine Friederike , Michalowski Peter , Ohno Saneyuki , Dewald Georg F. , Kwade Arno , Zeier Wolfgang G. 
Published: June 2021

AbstractCommercialization of solid‐state batteries requires the upscaling of the material syntheses as well as the mixing of electrode composites containing the solid electrolyte, cathode active materials, binders, and conductive additives. Inspired by recent literature about the tremendous influence of the employed milling and dispersing procedure on the resulting ionic transport properties of solid ionic conductors and the general performance of all solid‐state batteries, in this review, the underlying physical and mechanochemical processes that influence this processing are discussed. By discussing and combining the theoretical backgrounds of mechanical milling with regard to mechanochemical synthesis and dispersing of particles together with a wide range of examples, a better understanding of the critical parameters attached to mechanical milling of solid electrolytes and solid‐state battery components is provided.
Dual‐Sites Coordination Engineering of Single Atom Catalysts for Flexible Metal–Air Batteries
Authors: Yu Deshuang , Ma Yanchen , Hu Feng , Lin Chia‐Ching , Li Linlin , Chen Han‐Yi , Han Xiaopeng , Peng Shengjie 
Published: June 2021

AbstractDual‐sites single atom catalysts hold promise for efficiently regulating multiple reaction processes and explicitly explaining the underlying mechanisms. However, delicate atomic engineering for dual‐site single atom catalysts remains a huge challenge. Herein, atomically dispersed Fe‐Ni single atoms embedded in a nitrogen‐doped carbon matrix (FeNi SAs/NC) are successfully developed with extraordinary activity for electrocatalytic oxygen reduction and evolution reactions (ORR/OER). The atomic FeNi SAs/NC catalyst displays high onset potential (0.98 V) and half‐wave potential (0.84 V) for the ORR, as well as, low overpotential of (270 mV) at 10 mA cm−2 for the OER. The density functional theory calculations indicate that the Fe site as the active center can facilitate the four‐electron reaction process, while Ni sites regulate the electronic structure of Fe sites and further reduce the energy barrier of the rate‐determining step. In addition, the nitrogen‐doped carbon matrix prevents the metal atoms from aggregation and corrosion, leading to the improvement of catalyst durability. As a proof of concept, flexible quasi‐solid‐state zinc– and aluminum–air batteries assembled with the FeNi SAs/NC catalyst exhibit superior peak power densities and discharging specific capacities outperforming the commercial Pt/C. This work provides rational guidance for the synthesis of bifunctional electrocatalysts in next‐generation energy devices for flexible consumer electronics.
Ternary Two‐Step Sequential Deposition Induced Perovskite Orientational Crystallization for High‐Performance Photovoltaic Devices
Authors: Chen Chun‐Hao , Lou Yan‐Hui , Wang Kai‐Li , Su Zhen‐Huang , Dong Chong , Chen Jing , Shi Yi‐Ran , Gao Xing‐Yu , Wang Zhao‐Kui 
Published: June 2021

AbstractState‐of‐the‐art, high‐performance formamidinium‐lead‐iodide‐based (FAPbI3‐based) perovskite photovoltaics are mainly prepared by one‐step antisolvent dripping deposition or two‐step sequential fabrication methods. Compared with the one‐step deposition, the two‐step fabricated perovskite films tend to grow columnar perovskite grains vertically which is easier for carrier extraction and transportation. Herein, the concept of formamidinium methylammonium cesium based ternary‐cation two‐step sequential deposition method is put forward by incorporating cesium acetate (CsAc) into a lead iodide precursor, which generates CsPbI3 crystal nuclei improving the further perovskite crystallization. When the formamidinium/methylammonium‐based organic amine salts solution is spin coated on the PbI2 substrate, the acetate moves upward and induces perovskite orientational and uniform crystallization, which can go a step further for the vertical columnar grains achieving fewer defects and higher photovoltaic efficiency. The champion outdoor power conversion efficiency of the modified device under AM 1.5G reaches 21.50% and its indoor efficiency at 1000 lux reaches 40.99%. This work paves the way for further exploring ternary‐cation two‐step sequential deposition methods to prepare high‐performance perovskite photovoltaics.
Exploring optimal film mulching to enhance potato yield in China: A meta‐analysis
Authors: Li Hao , Chang Weiyew 
Published: June 2021

AbstractChina is the world's largest potato (Solanum tuberosum L.) producer. Film mulching is widely used in potato production because it can effectively modify the soil micro‐environment. Here, we conducted a meta‐analysis to quantitatively evaluate the effects of film mulching on the potato yield in China. Film mulching noticeably increased potato yield by an average 32.5%. The enhancement was significantly higher with plastic film (33.5%) than with biodegradable (19.5%) or liquid (16.9%) film. Yield increases under plastic film mulching (PFM) varied across regions, with the largest increases observed in Northwest and North China. The improvements in potato yield tended to increase along with experimental duration and film thickness. Loam and clay loam soils, mulching ratio (ratio of the area of farmland mulched with film to the total area of farmland) of 50–99%, and potato monoculture or rotations with legumes had favorable effects on potato yields under PFM conditions. Whole season film mulching benefitted more from PFM than partial season film mulching, and ridge‐furrow planting benefitted more from PFM than traditional flat planting. White film was more effective in regions having lower average annual precipitation (<400 mm) and temperature (<10 °C), while black film was the opposite. In conclusion, this meta‐analysis suggests the adoption of PFM should be site specific. Moreover, although PFM may significantly enhance potato yield, the development of biodegradable film with comparable mulching effects and the improvement of technology for recovering residual film are important to achieve a sustainable and healthy agricultural industry.
Chemoselektive γ‐Oxidation von β,γ‐ungesättigten Amiden mit TEMPO
Authors: Heindl Sebastian , Riomet Margaux , Matyasovsky Ján , Lemmerer Miran , Malzer Nicolas , Maulide Nuno 
Published: June 2021

AbstractEin chemoselektives und robustes Protokoll zur γ‐Oxidation von β,γ‐ungesättigten Amiden wird dargelegt. Bei dieser Methode ermöglicht elektrophile Amidaktivierung eine bei ungesättigten Amiden bisher selten angewendete regioselektive Reaktion mit TEMPO, die zu γ‐aminoxylierten α,β‐ungesättigten Amiden führt. Radikalische Zyklisierungen und Oxidationen der synthetisierten Produkte untermauern die Nützlichkeit der hergestellten Verbindungen.
Enantioselective Addition of Pyrazoles to Dienes**
Authors: Jiu Alexander Y. , Slocumb Hannah S. , Yeung Charles S. , Yang Xiao‐Hui , Dong Vy M. 
Published: June 2021

AbstractWe report the first enantioselective addition of pyrazoles to 1,3‐dienes. Secondary and tertiary allylic pyrazoles can be generated with excellent regioselectivity. Mechanistic studies support a pathway distinct from previous hydroaminations: a Pd0‐catalyzed ligand‐to‐ligand hydrogen transfer (LLHT). This hydroamination tolerates a range of functional groups and advances the field of diene hydrofunctionalization.
Social and non‐social sensory responsivity in toddlers at high‐risk for autism spectrum disorder
Authors: Gunderson Jaclyn , Worthley Emma , Grzadzinski Rebecca , Burrows Catherine , Estes Annette , Zwaigenbaum Lonnie , Botteron Kelly , Dager Stephen , Hazlett Heather , Schultz Robert , Piven Joseph , Wolff Jason ,   IBIS Network
Published: June 2021

AbstractEmpirical evidence concerning sensory responsivity in young children who later develop autism spectrum disorder (ASD) remains relatively limited. It is unclear whether specific patterns or aspects of sensory responsivity underlay the emergence of the disorder. The goals of this study were to (a) examine whether social versus non‐social context impacted the expression of sensory responsivity in infants at high risk for ASD, and (b) examine if sensory responsivity in social or non‐social contexts was associated with severity of ASD symptoms. The Sensory Experiences Questionnaire 2.1 was collected for 338 infants (131 females, 207 males) at high‐risk for ASD at 12 and/or 24 months of age. High‐risk toddlers meeting diagnostic criteria for ASD (n = 75) showed elevated sensory responsivity in both social and non‐social contexts at 12 months of age and differences widened over the second year of life. Individuals with ASD demonstrate higher responsivity in both contexts suggestive of generalized atypical sensory responsivity in ASD.Lay SummaryBehaviors such as avoiding or noticing sensory input (e.g., sounds, touches) are often different in individuals with autism spectrum disorder (ASD) than those without. The reason for this is widely unknown. The findings from this study show that in toddlers, sensory responsivity increased in both social and non‐social situations. Therefore, the setting of sensory input does not explain these differences.
Investigation of the impact of grapefruit juice, pomegranate juice and tomato juice on pharmacokinetics of brexpiprazole in rats using UHPLC–QTOF–MS
Authors: Thakkar Disha , Sahu Amit Kumar , Rathod Rajeshwari , Sengupta Pinaki , Kate Abhijeet S. 
Published: June 2021

AbstractBrexpiprazole (BRX) is approved for the treatment of schizophrenia and major depressive disorders and it is mainly metabolized by CYP3A4 and CYP2D6. Grapefruit juice (GFJ), pomegranate juice (PJ) and tomato juice (TJ) have the potential to inhibit CYP3A4 enzymes in the body. However, fruit juice–drug interactions between BRX and GFJ, PJ and TJ have not been studied extensively. The present study describes the influence of GFJ, PJ and TJ on the pharmacokinetic parameters of BRX in rats. The study samples were analyzed using a mass‐accurate and single‐step bioanalytical method by ultra‐high‐performance liquid chromatography–quadrupole time‐of‐flight mass spectrometry over a wide calibration range of 20–1,500 ng/ml. The results of the pharmacokinetic study denoted that the combined administration of GFJ and PJ could increase systemic exposure of BRX. The area under the curve of BRX increased 3.43‐ and 1.88‐fold with co‐administration of GFJ and PJ, respectively, while TJ with BRX had no effect on the area under the curve. Time to peak concentration and half‐life were not significantly changed by any juice co‐administration. The results show that GFJ and PJ affect the pharmacokinetic profile of BRX and hence advice needs to be given to patients.
Systematic investigation for the mechanisms and the substance basis of Yang–Xin–Ding–Ji capsule based on the metabolite profile and network pharmacology
Authors: Wu Yin , Qiu Zhihong , Ren Bingnan , Sui Feng 
Published: June 2021

AbstractBecause traditional Chinese medicine (TCM) is a complex mixture of multiple components, the application of methodologies for evaluating single‐component Western medicine in TCM studies may have certain limitations. Appropriate strategies that recognize the integrality of TCM and connect to TCM theories remain to be developed. Yang–Xin–Ding–Ji (YXDJ) capsule is originally from a classical TCM formula used for the treatment of arrhythmia. In this study, we used UPLC‐Q–TOF–MS detection method, coupled with the metabolic research and network pharmacology analysis, to study the scientific connotation of the YXDJ capsule. A total of 33 absorbed constituents and 23 metabolites were identified or tentatively characterized in dosed plasma and urine, and the possible metabolic pathways were mainly methylation, oxidation, sulfation, glucuronidation, and deglucosylation. We optimized the conventional process ways of network pharmacology by collecting targets based on absorbed constituents into the blood. The constituents‐target disease and Kyoto Encyclopedia of Genes pathway analysis revealed that 24 absorbed constituents, 32 target genes, and 10 key pathways were probably related to the efficacy of the YXDJ capsule against arrhythmia. The results provided a scientific basis for understanding the bioactive compounds and the pharmacological mechanism of the YXDJ capsule.
KDELR2 promotes breast cancer proliferation via HDAC3‐mediated cell cycle progression
Authors: Wei Haoran , Ma Wenhao , Lu Xiaofei , Liu Haiying , Lin Kashuai , Wang Yinghui , Ye Zijian , Sun Linchong , Huang Zhitong , Pan Tingting , Zhou Zilong , Cheng Eric Y. , Zhang Huafeng , Gao Ping , Zhong Xiuying 
Published: June 2021

AbstractBackgroundHistone deacetylases (HDACs) engage in the regulation of various cellular processes by controlling global gene expression. The dysregulation of HDACs leads to carcinogenesis, making HDACs ideal targets for cancer therapy. However, the use of HDAC inhibitors (HDACi) as single agents has been shown to have limited success in treating solid tumors in clinical studies. This study aimed to identify a novel downstream effector of HDACs to provide a potential target for combination therapy.MethodsTranscriptome sequencing and bioinformatics analysis were performed to screen for genes responsive to HDACi in breast cancer cells. The effects of HDACi on cell viability were detected using the MTT assay. The mRNA and protein levels of genes were determined by quantitative reverse transcription‐PCR (qRT‐PCR) and Western blotting. Cell cycle distribution and apoptosis were analyzed by flow cytometry. The binding of CREB1 (cAMP‐response element binding protein 1) to the promoter of the KDELR (The KDEL (Lys‐Asp‐Glu‐Leu) receptor) gene was validated by the ChIP (chromatin immunoprecipitation assay). The association between KDELR2 and protein of centriole 5 (POC5) was detected by immunoprecipitation. A breast cancer‐bearing mouse model was employed to analyze the effect of the HDAC3‐KDELR2 axis on tumor growth.ResultsKDELR2 was identified as a novel target of HDAC3, and its aberrant expression indicated the poor prognosis of breast cancer patients. We found a strong correlation between the protein expression patterns of HADC3 and KDELR2 in tumor tissues from breast cancer patients. The results of the ChIP assay and qRT‐PCR analysis validated that HDAC3 transactivated KDELR2 via CREB1. The HDAC3‐KDELR2 axis accelerated the cell cycle progression of cancer cells by protecting the centrosomal protein POC5 from proteasomal degradation. Moreover, the HDAC3‐KDELR2 axis promoted breast cancer cell proliferation and tumorigenesis in vitro and in vivo.ConclusionOur results uncovered a previously unappreciated function of KDELR2 in tumorigenesis, linking a critical Golgi‐the endoplasmic reticulum traffic transport protein to HDAC‐controlled cell cycle progression on the path of cancer development and thus revealing a potential therapeutical target for breast cancer.
Improved esophageal squamous cell carcinoma screening effectiveness by risk‐stratified endoscopic screening: evidence from high‐risk areas in China
Authors: Li He , Ding Chao , Zeng Hongmei , Zheng Rongshou , Cao Maomao , Ren Jiansong , Shi Jufang , Sun Dianqin , He Siyi , Yang Zhixun , Yu Yiwen , Zhang Zhe , Sun Xibin , Guo Guizhou , Song Guohui , Wei Wenqiang , Chen Wanqing , He Jie 
Published: June 2021

AbstractBackgroundRisk‐stratified endoscopic screening (RSES), which offers endoscopy to those with a high risk of esophageal cancer, has the potential to increase effectiveness and reduce endoscopic demands compared with the universal screening strategy (i.e., endoscopic screening for all targets without risk prediction). Evidence of RSES in high‐risk areas of China is limited. This study aimed to estimate whether RSES based on a 22‐score esophageal squamous cell carcinoma (ESCC) risk prediction model could optimize the universal endoscopic screening strategy for ESCC screening in high‐risk areas of China.MethodsEight epidemiological variables in the ESCC risk prediction model were collected retrospectively from 26,618 individuals aged 40‐69 from three high‐risk areas of China who underwent endoscopic screening between May 2015 and July 2017. The model's performance was estimated using the area under the curve (AUC). Participants were categorized into a high‐risk group and a low‐risk group with a cutoff score having sensitivities of both ESCC and severe dysplasia and above (SDA) at more than 90.0%.ResultsThe ESCC risk prediction model had an AUC of 0.80 (95% confidence interval: 0.75–0.84) in this external population. We found that a score of 8 (ranging from 0 to 22) had a sensitivity of 94.2% for ESCC and 92.5% for SDA. The RSES strategy using this threshold score would allow 50.6% of endoscopies to be avoided and save approximately US$ 0.59 million compared to universal endoscopic screening among 26,618 participants. In addition, a higher prevalence of SDA (1.7% vs. 0.9%), a lower number need to screen (60 vs. 111), and a lower average cost per detected SDA (US$ 3.22 thousand vs. US$ 5.45 thousand) could have been obtained by the RSES strategy.ConclusionsThe RSES strategy based on individual risk has the potential to optimize the universal endoscopic screening strategy in ESCC high‐risk areas of China.