bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ultrastable and Highly Luminescent Quantum Dots Coating Highly Dense Protective Layers of Na‐Poly(Al‐O‐Si) Nanocomposites for Light‐Emitting Diodes
Authors: Lai Chun‐Feng , Zhong Chang‐Zhi , Lee Yu‐Chun 
Published: October 2022

AbstractQuantum dot white light‐emitting diodes (QD‐WLEDs) have a potential for wide color gamut displays. Their applications to QD‐on‐chip package are limited by their poor stability. In this study, highly dense protective layers of Na‐poly(Al‐O‐Si) nanocomposite (NPAS NC) coating on QDs are developed for the first time. They enhanced the photoluminescence quantum yield at ≈1.74‐fold and stability. In addition, the effects of specific surface area (SSA) of NC structures on the reliability of QD‐WLEDs are investigated. The synthesized NPAS NCs via a sol‐gel method with catalyst showed the lowest SSA (2.39 m2 g−1) with almost no pore, thereby demonstrating the best reliability analysis (RA) results for QD‐WLEDs. QDs@NPAS WLEDs present a highly luminous efficacy of 133 lm W−1 compared with pristine QD‐WLEDs (79 lm W−1) under an electric input power of 21.4 mW. RA test on the QDs@NPAS WLEDs with an operational lifetime of 1,560 h is performed. A 16.6‐fold enhancement is observed compared with pristine QD‐WLEDs (≈94 h). QDs@NPAS WLEDs also exhibit an excellent display performance with a wide color gamut (≈91%) based on Rec. 2020 color standard. This approach can enhance the reliability of QDs for display applications, thereby providing a strategy for mini‐ and micro‐QD‐WLEDs.
Atomic Layer Deposition Beyond Thin Film Deposition Technology
Authors: Yasmeen Sumaira , Ryu Seung Wook , Lee Sung‐Hoon , Lee Han‐Bo‐Ram 
Published: October 2022

AbstractAtomic layer deposition (ALD) is well known as the most advanced coating technique so far due to its unique deposition characteristics, such as uniformity and 3D conformality. ALD is not limited to coating technologies alone; however, over the past few decades, it has been extended beyond coating technologies to address several bottlenecks in the semiconductor industry. This short review article provides a summary of previous studies published on various approaches to using ALD to overcome the technological challenges in Si device fabrication beyond, that is, ALD for multiple patterning, area‐selective atomic layer deposition, atomic layer etching, and ALD for dry photoresist. The purpose of this review is to determine the existing trend in ALD for noncoating applications and to understand and provide a layout of what ALD can bring in the future. In addition, it helps in appreciating the potential of ALD in existing and future noncoating processes. Furthermore, this study provides a developing route for ALD in other noncoating applications in the semiconductor industry. This review may help ALD researchers in its use in various noncoating processes in the future to extend Moore's law.
Molecular Dynamics Simulations on the Flow Behavior of 5CB Liquid Crystal Sandwiched Between Iron Walls
Authors: Chen Hui , Sun Qilin , Xiao Guangchun , Chen Zhaoqiang , Yi Mingdong , Zhang Jingjie , Xu Chonghai 
Published: October 2022

AbstractThe 4‐n‐pentyl‐4′‐cyano biphenyl (5CB) liquid crystal (LC) sandwiched and sheared between atomically flat and grooved iron walls, respectively, is simulated using molecular dynamics, and the flow behavior of the system under confinement, pressure, and shear is investigated. The order parameter P2, velocity, and density of 5CB are profiled as a function of distance from the walls using a block analysis method. The flow‐alignment phenomenon is reproduced, and alignment angles ranging from 11.3° to 13.9° are observed. The competition between the elastic effect of the surface and viscous effect of the flow on the orientation of the 5CB molecules is investigated. The P2 of 5CB located in the vicinity of the grooved walls is higher than that of the flat walls, while this difference is negligible in the case of 5CB distanced from the walls. Instead of boundary slip or Couette flow, the velocity profiles reveal a boundary condition (BC) of central localization, which is very different from the assumed Couette flow BC in most analytical models of LC flow. This work enhances the current molecular‐scale understanding of the flow behavior of confined liquid crystals and provides additional insights into the phenomenon.
Working Principles of Lithium Metal Anode in Pouch Cells
Authors: Liu He , Sun Xin , Cheng Xin‐Bing , Guo Cong , Yu Feng , Bao Weizhai , Wang Tao , Li Jingfa , Zhang Qiang 
Published: October 2022

AbstractLithium metal battery has been considered as one of the potential candidates for next‐generation energy storage systems. However, the dendrite growth issue in Li anodes results in low practical energy density, short lifespan, and poor safety performance. The strategies in suppressing Li dendrite growth are mostly conducted in materials‐level coin cells, while their validity in device‐level pouch cells is still under debate. It is imperative to address dendrite issues in pouch cells to realize the practical application of Li metal batteries. This review presents a comprehensive overview of the failure mechanism and regulation strategies of Li metal anodes in practical pouch cells. First, the gaps between the scientific findings in materials‐level coin cells and device‐level pouch cells are underscored. Specific attention is paid to the mechanistic understanding and quantitative discussion on the failure mechanisms of pouch‐type Li metal batteries. Subsequently, recently proposed strategies are reviewed to suppress dendrite growth in pouch cells. The state‐of‐the‐art electrochemical performance of pouch cells, especially the cell‐level energy density and lifespan, is critically concerned. The review concludes with an attempt to summarize the scientific and engineering understandings of pouch‐type Li metal anodes and propose some novel insights for the practical applications of Li metal batteries.
Have advances in medical therapy for ulcerative colitis impacted surgical treatment?
Authors: Kuwahara Ryuichi , Ikeuchi Hiroki , Horio Yuki , Minagawa Tomohiro , Kusunoki Kurando , Uchino Motoi 
Published: October 2022

AbstractAimThe purpose of this study was to examine how the clinical characteristics, indications for surgery, and postoperative course of ulcerative colitis (UC) surgical patients changed before and after the introduction of biological agents.MethodsPatients who underwent surgery for UC at Hyogo Medical University between 2000 and 2019 were included in the study; those who underwent surgery between 2000 and 2009 were included in the early group (n = 864), and those who underwent surgery between 2010 and 2019 were included in the late group (n = 834); each study factor was retrospectively compared.ResultsThe mean ages at surgery (y) were 39.7 ± 15.1 y in the early group and 46.7 ± 17.8 y in the late group (P < .01). Antitumor necrosis factor agents were used (%) in 2 (0.2) patients in the early group and 317 (38.0) patients in the late group (P < .01). The number of cancer or dysplasia patients for whom surgery was indicated was significantly higher in the late group (11%/26%, P = .01). With regard to surgery in elderly individuals, the number of elderly patients (65 y and older) undergoing surgery was significantly higher in the late group (8.0%/18.6%, P < .01). For emergency surgery, the mortality rates were 16.7% (2/12) in the early surgery group and 15.7% (8/51) in the late surgery group (P = .61).ConclusionThe characteristics of UC patients requiring surgery in Japan have changed. The distribution of surgical indications changed, and the number of patients with cancer and dysplasia requiring surgery increased. The prognosis of elderly patients who underwent emergency surgery was poor.
Rh(III)‐Catalyzed [4+2]‐Annulation of Indoles: Access to Functionalized Pyrimidoindolones Containing α‐Amino Acid Framework
Authors: Vorobyeva Daria V. , Bubnova Alexandra S. , Godovikov Ivan A. , Danshina Anastasia A. , Osipov Sergey N. 
Published: October 2022

AbstractAn efficient method for the selective preparation of new CF3‐substituted α‐amino acid derivatives decorated with pharmacophore pyrimido[1,6‐a]indolone core has been developed via Rh(III)‐catalyzed C−H activation/[4+2]‐annulation of N‐(pivaloyloxy)‐indole‐1‐carboxamides with propargyl‐containing α‐amino carboxylates and α‐amino phosphonates.
Spin Effect to Promote Reaction Kinetics and Overall Performance of Lithium‐Sulfur Batteries under External Magnetic Field
Authors: Zhang Chao Yue , Zhang Chaoqi , Sun Guo Wen , Pan Jiang Long , Gong Li , Sun Geng Zhi , Biendicho Jordi Jacas , Balcells Lluís , Fan Xiao Long , Morante Joan Ramon , Zhou Jin Yuan , Cabot Andreu 
Published: October 2022

AbstractLithium‐sulfur batteries (LSBs) are still limited by the shuttle of lithium polysulfides (LiPS) and the slow Li−S reaction. Herein, we demonstrate that when using cobalt sulfide as a catalytic additive, an external magnetic field generated by a permanent magnet can significantly improve the LiPS adsorption ability and the Li−S reaction kinetics. More specifically, the results show both experimentally and theoretically how an electron spin polarization of Co ions reduces electron repulsion and enhances the degree of orbital hybridization, thus resulting in LSBs with unprecedented performance and stability. Under an external magnetic field, LSBs with 0.0084 % per cycle decay rate at 2 C during 8150 cycles are produced. Overall, this work not only demonstrates an effective strategy to promote LiPS adsorption and electrochemical conversion in LSBs at no additional energy cost but also enriches the application of the spin effect in the electrocatalysis fields.
Synthetic flavagline derivative 1‐chloroacetylrocaglaol promotes apoptosis in K562 erythroleukemia cells through miR‐17‐92 cluster genes
Authors: Wu Xijun , Yang Xinmei , Varier Krishnapriya M. , Rao Qing , Song Jingrui , Huang Lei , Huang Yubing , Gajendran Babu , He Zhixu , Yuan Chunmao , Li Yanmei 
Published: October 2022

AbstractChronic myeloid leukemia accounts for human deaths worldwide and could enhance sevenfold by 2050. Thus, the treatment regimen for this disorder is highly crucial at this time. Flavaglines are a natural class of cyclopentane benzofurans exhibiting various bioactivities like anticancer action. Despite the antiproliferative activity of flavaglines against diverse cancer cells, their roles and mechanism of action in chronic myeloid leukemia (CML) remain poorly understood. Thus, this study examines the antiproliferative effect of a newly synthesized flavagline derivative, 1‐chloracetylrocaglaol (A2074), on erythroleukemia K562 cells and the zebrafish xenograft model. The study revealed that A2074 could inhibit proliferation, promote apoptosis, and boost megakaryocyte differentiation of K562 cells. This flavagline downregulated c‐MYC and miR‐17‐92 cluster genes, targeting upregulation of the apoptotic protein Bcl‐2‐like protein 11 (BIM). The work uncovered a critical role of the c‐MYC‐miR‐17‐92‐BIM axis in the growth and survival of CML cells.
La−Cu based heterogeneous perovskite catalyst for highly selective benzene hydroxylation under mild conditions
Authors: Kumar Pawan , Vijay Jagtap Anuradha , Gupta Sharad , Vinod Chathakudath P. 
Published: October 2022

AbstractDirect hydroxylation of benzene towards phenol with high conversion and selectivity remains a great challenge. We report herein an efficient La2CuO4 perovskite catalyst for one‐step oxidation of benzene using hydrogen peroxide under mild conditions. The catalyst was characterized using XRD, TEM, XPS, TG‐DTA, and other advanced techniques. The one‐pot hydroxylation reaction carried out at 60 °C under optimum reaction conditions in the presence of catalytic material shows benzene to phenol transformation with 51% conversion with >99% selectivity with 65 percent peroxide efficiency, respectively. The influence of reaction conditions such as temperature, amount of oxidant, reaction time and mode of addition of the oxidant was crucial in selectivity optimization.
Pescadillo ribosomal biogenesis factor 1 reduction suppresses tumour growth and renders chemosensitivity of head and neck squamous cell carcinoma
Authors: Li Dapeng , Yao Changyu , Ding Zhao , Liu Ping , Chen Xue , Liu Weiwei , Yi Fangzheng , Jiang Chuanya , Li Hongwu , Liu Yehai , Wu Jing 
Published: October 2022

AbstractBackgroundAs one of the most devastating cancers, head and neck squamous cell carcinoma (HNSCC) has a short survival time and poor prognosis. Pescadillo ribosomal biogenesis factor 1 (PES1) plays a critical role in the progression of numerous cancers. However, its role and underlying mechanisms in HNSCC remain unclear.MethodsA variety of bioinformatic approaches were used to identify the expressions, prognostic and diagnostic value of PES1 in HNSCC. qRT‐PCR, immunofluorescence (IF) assay, western blotting and immunohistochemical (IHC) were used to evaluate the expression of PES1 in HNSCC cell lines and clinical tissues. PES1 was knocked down in TU177 and FaDu cells which have high PES1 expression. The effects of PES1 on cell proliferation and tumour growth in HNSCC were elevated by colony formation, CCK8 assays and tumorigenicity assay in nude mice. The effects on cisplatin (CDDP) sensitivity upon silencing of PES1 were assessed using a patient‐derived xenograft (PDX) model.ResultsPES1 expression was an independent prognostic factor for HNSCC and negatively associated with the overall survival rate. Silencing of PES1 reduces HNSCC cell proliferation and tumour growth. Moreover, PES1 inhibition significantly sensitises HNSCC cells to cisplatin. Furthermore, we found a PES1 has a high correlation with c‐Myc and plays an essential role in the tumour immune microenvironment.ConclusionOur findings suggest that PES1 is associated with tumour growth and drug resistance and served as a potential cancer marker for diagnosis and a putative therapeutic target for HNSCC.
Sequences of Events from the Electronic Medical Record and the Onset of Infection
Authors: Coombes Caitlin E. , Coombes Kevin R. , Fareed Naleef 
Published: October 2022

AbstractWe present a novel model of time‐series analysis to learn from electronic health record (EHR) data when infection occurred in the intensive care unit (ICU) by translating methods from proteomics and Bayesian statistics. Using 48,536 patients hospitalized in an ICU, we describe each hospital course as an ‘alphabet’ of 23 physician actions (‘events’) in temporal order. We analyze these as k‐mers of length 3–12 events and apply a Bayesian model of (cumulative) relative risk (RR). The log2‐transformed RR (median=0.248, mean=0.226) supported the conclusion that the events selected were individually associated with increased risk of infection. Selecting from all possible cutoffs of maximum gain (MG), MG>0.0244 predicts administration of antibiotics with PPV 82.0 %, NPV 44.4 %, and AUC 0.706. Our approach holds value for retrospective analysis of other clinical syndromes for which time‐of‐onset is critical to analysis but poorly marked in EHRs, including delirium and decompensation.
Chemical Proteomics Reveals Protein Tyrosination Extends Beyond the Alpha‐Tubulins in Human Cells**
Authors: Makarov Dmytro , Kielkowski Pavel 
Published: October 2022

AbstractTubulin detyrosination‐tyrosination cycle regulates the stability of microtubules. With respect to α‐tubulins, the tyrosination level is maintained by a single tubulin‐tyrosine ligase (TTL). However, the precise dynamics and tubulin isoforms which undergo (de)tyrosination in neurons are unknown. Here, we exploit the substrate promiscuity of the TTL to introduce an O‐propargyl‐l‐tyrosine to neuroblastoma cells and neurons. Mass spectrometry‐based chemical proteomics in neuroblastoma cells using the O‐propargyl‐l‐tyrosine probe revealed previously discussed tyrosination of TUBA4A, MAPRE1, and other non‐tubulin proteins. This finding was further corroborated in differentiating neurons. Together we present the method for tubulin tyrosination profiling in living cells. Our results show that detyrosination‐tyrosination is not restricted to α‐tubulins with coded C‐terminal tyrosine and is thus involved in fine‐tuning of the tubulin and non‐tubulin proteins during neuronal differentiation.
Experimental Study on the Effects of Shear on Co‐Currently Swirling Steam‐Water Flow Instabilities
Authors: Hassan Aitazaz , Pavel Taranenko , Ullah Atta , Vladimirovich Sinitsin Vladimir , SanaUllah Khairuddin , Khan Afrasyab 
Published: October 2022

AbstractThe shear effect of co‐currently flowing water on the flow instabilities induced by swirling steam was investigated. With shear, a 22–27 % decrease in velocity fluctuation amplitude was observed. The decrease was 29–41 % on an exponential and 12–17 % on a proportional basis. Shear reduced the layer thickness on increasing the inlet water pressure from 1 to 2 bar by 1.9–2.9 and 6.35–12.89 % at steam inlet pressures of 1 and 2 bar, respectively. The ratio of the swirl intensity along the dimensionless axial length scale and the initial swirl intensity was changed from < 1 to > 1 across critical point due to the nearly equal values of buoyancy and rotational frequencies. A critical limit of the initial swirl intensity within the control plane was investigated wherein the swirl‐induced instabilities can be attenuated uniformly and the rotational effects dominate over the gravity waves and buoyancy.
Patient outcomes following implementation of an enhanced recovery after surgery pathway for patients with metastatic spine tumors
Authors: Chakravarthy Vikram B. , Laufer Ilya , Amin Anubhav G. , Cohen Marc A. , Reiner Anne S. , Vuong Cindy , Persaud Petal‐Ann S. , Ruppert Lisa M. , Puttanniah Vinay G. , Afonso Anoushka M. , Tsui Van S. , Brallier Jess W. , Malhotra Vivek T. , Bilsky Mark H. , Barzilai Ori 
Published: October 2022

AbstractBackgroundMetastatic spine tumor surgery consists of palliative operations performed on frail patients with multiple medical comorbidities. Enhanced recovery after surgery (ERAS) programs involve an evidence‐based, multidisciplinary approach to improve perioperative outcomes. This study presents clinical outcomes of a metastatic spine tumor ERAS pathway implemented at a tertiary cancer center.MethodsThe metastatic spine tumor ERAS program launched in April 2019, and data from January 2018 to May 2020 were reviewed. Measured outcomes included the following: hospital length of stay (LOS), time to ambulation, urinary catheter duration, time to resumption of diet, intraoperative fluid intake, estimated blood loss (EBL), and intraoperative and postoperative day 0–5 cumulative opioid use (morphine milligram equivalent [MME]).ResultsA total of 390 patients were included in the final analysis: 177 consecutive patients undergoing metastatic spine tumor surgery enrolled in the ERAS program and 213 consecutive pre‐ERAS patients. Although the mean case durations were similar in the ERAS and pre‐ERAS cohorts (265 vs. 274 min; p = .22), the ERAS cohort had decreased EBL (157 vs. 215 ml; p = .003), decreased postoperative day 0–5 cumulative mean opioid use (178 vs. 396 MME; p < .0001), earlier ambulation (mean, 34 vs. 57 h; p = .0001), earlier discontinuation of urinary catheters (mean, 36 vs. 56 h; p < .001), and shorter LOS (5.4 vs. 7.5 days; p < .0001).ConclusionsThe implementation of a multidisciplinary ERAS program designed for metastatic spine tumor surgery led to improved clinical quality metrics, including shorter hospitalizations and significant reductions in opioid consumption.
Ballistic Transport for One‐Dimensional Quasiperiodic Schrödinger Operators
Authors: Ge Lingrui , Kachkovskiy Ilya 
Published: October 2022

AbstractIn this paper, we show that one‐dimensional discrete multifrequency quasiperiodic Schrödinger operators with smooth potentials demonstrate ballistic motion on the set of energies on which the corresponding Schrödinger cocycles are smoothly reducible to constant rotations. The proof is performed by establishing a local version of strong ballistic transport on an exhausting sequence of subsets on which reducibility can be achieved by a conjugation uniformly bounded in the Cℓ‐norm. We also establish global strong ballistic transport under an additional integral condition on the norms of conjugation matrices. The latter condition is quite mild and is satisfied in many known examples. © 2022 The Authors. Communications on Pure and Applied Mathematics published by Wiley Periodicals LLC.
PtOxCly(OH)z(H2O)n Complexes under Oxidative and Reductive Conditions: Impact of the Level of Theory on Thermodynamic Stabilities
Authors: Hellier Adrien , Chizallet Céline , Raybaud Pascal 
Published: October 2022

AbstractPlatinum‐based catalysts with Cl−, OH−, O2− and H2O ligands, are involved in many industrial processes. Their final chemical properties are impacted by calcination and reduction applied during the preparation and activation steps. We investigate their stability under these reactive conditions with density functional theory (DFT). We benchmark various functionals (PBE‐dDsC, optPBE, B3LYP, HSE06, PBE0, TPSS, RTPSS and SCAN) against ACFDT‐RPA. PBE‐dDsC is well adapted, although hybrid functionals are more accurate for redox reactions. Thermodynamic phase diagrams are determined by computing the chemical potential of the species as a function of temperature and partial pressures of H2O, HCl, O2 and H2. The stability and nature of the Pt species are highly sensitive to the activation conditions. Under O2, high temperatures favour PtO2 while under H2, platinum is easily reduced to Pt(0). Chlorine modifies the coordination sphere of platinum during calcination by stabilizing PtCl4 and shifts the reduction of platinum to higher temperatures under H2.
Land cover changes the soil moisture response to rainfall on the Loess Plateau
Authors: Ge Fengchi , Xu Mingxiang , Gong Chen , Zhang Zuoyuan , Tan Qingyue , Pan Xinhui 
Published: October 2022

AbstractInsight into the rainfall‐soil moisture (SM) response to land cover is critical for soil hydrological process modelling and management. In this study, five typical land‐cover types (forest, shrub, grass, crop and bare land) and four rainfall patterns (heavy, intermediate, light and continuous rains) were selected to assess the effects of SM response characteristics on the Loess Plateau of China. We monitored SM at five depths on each land‐cover type at 1‐h intervals over the growing season of 2019. The results showed that rainfall patterns and land‐cover types together determined the SM response process and infiltration efficiency. A minimum accumulated rainfall amount of 5 mm was the threshold required to trigger a 10‐cm SM response. Rain events with a higher intensity and smaller total rainfall amount triggered a quick surface SM response, while larger amounts could percolate deeper and faster. Land‐cover change significantly altered the rainfall‐SM response dynamics and rainwater utilization efficiency after 20 years of ecological construction. Revegetation sites (mean values of forest, shrub and grass) increased the soil wetting depth by 14.7%, shortened the SM response time by 27.3%, and accelerated the SM wetting front velocity by 67.2%, which promoted a 35.2% rainfall transformation rate (RTR) across the 1‐m profile over all rainfall events (R1–13). Moreover, planted forest showed the highest RTR of R1–13 and the maximal increase in soil water storage, which did not aggravate the soil water deficit across the 1‐m profile over the growing season. Therefore, we present evidence that planted forests, instead of shrubs, may be beneficial for water conservation if precipitation is greater than 550 mm. The findings of this study prove the role of revegetation on rainwater infiltration capacity and efficiency and can help improve the management of afforestation in arid and semiarid regions.