bluuebunny/crossref_metadata_2025_split huggingface dataset:
Methanol Synthesis with Steel Mill Gases: Performance Investigations in an On‐Site Technical Center
Authors: Girod Kai , Lohmann Heiko , Kaluza Stefan 
Published: March 2021

AbstractAn on‐site laboratory with direct access to cleaned and conditioned steel mill gases was recently put into operation. The long‐term performance and stability of Clariant's MegaMax®800 methanol synthesis catalyst utilizing steel mill gases is currently being investigated. First test results revealed that in order to investigate deactivation mechanisms arising from particular properties of the cleaned steel mill gases, the overlaying effect of thermal deactivation of the catalyst has to be minimized.
Synthesis of low‐cost Co‐Sn‐Pd/rGO catalysts via ultrasonic irradiation and their electrocatalytic activities toward oxygen reduction reaction
Authors: Wang Huihua , Li Lin , Sheng Shizhan , Wang Channa , Qu Tianpeng , Hou Dong , Wang Deyong , Sheng Minqi 
Published: March 2021

AbstractReduced graphene supported Co‐Sn‐Pd nanoparticle catalysts(Co0.2SnxPdy/rGO, x + y = 0.4) were successfully synthesized by reducing the trace amounts of ions (Pd2+, Sn2+, and Co2+) in the presence of reduced graphene via an ultrasonic irradiation method. Characterization of the Co0.2SnxPdy/rGO catalysts by X‐ray diffraction (XRD) and transmission electron microscopy (TEM) indicates that the Co0.2Sn0.2Pd0.2/rGO catalyst with a mean diameter of ~3.8 nm is close to a single‐phase solid solution. X‐ray photoelectron spectroscopy (XPS) shows the binding energy of metallic Pd shifts to a higher angle in the Co0.2SnxPdy/rGO (x + y = 0.4) catalysts, indicating a shift of Pd electronic centre upon alloying with Co and Sn. Conventionally, ternary Co‐Sn‐Pd/rGO catalysts show greater oxygen reduction reaction (ORR) activities and durability than binary Pd‐Co/rGO catalyst and 20 wt% Pt/C catalyst even at a very low Pd content. Among of the synthetic catalysts, the Co0.2Sn0.2Pd0.2/rGO catalyst exhibits the best ORR activity (E1/2 = 0.91 V, k = −57 mV · dec−1) and dominates a 4‐electron pathway in the ORR process (n = 3.95 ± 0.09, H2O2<4%). Also, the Co0.2SnxPdy/rGO (x + y = 0.4) catalysts display a remarkable advantage of high methanol tolerance compared to that of the commercial 20 wt% Pt/C catalyst, which make them potential candidates for direct methanol fuel cells.
Penalized high‐dimensional M‐quantile regression: From L1 to Lp optimization
Authors: Hu Jie , Chen Yu , Zhang Weiping , Guo Xiao 
Published: March 2021

AbstractQuantiles and expectiles have been receiving much attention in many areas such as economics, ecology, and finance. By means of Lp optimization, both quantiles and expectiles can be embedded in a more general class of M‐quantiles. Inspired by this point of view, we propose a generalized regression called Lp‐quantile regression to study the whole conditional distribution of a response variable given predictors in a heterogeneous regression setting. In this article, we focus on the variable selection aspect of high‐dimensional penalized Lp‐quantile regression, which provides a flexible application and makes a complement to penalized quantile and expectile regressions. This generalized penalized Lp‐quantile regression steers an advantageous middle course between ordinary penalized quantile and expectile regressions without sacrificing their virtues too much when 1 < p < 2, that is, offers versatility and flexibility with these ‘quantile‐like’ and robustness properties. We develop the penalized Lp‐quantile regression with scad and adaptive lasso penalties. With properly chosen tuning parameters, we show that the proposed estimators display oracle properties. Numerical studies and real data analysis demonstrate the competitive performance of the proposed penalized Lp‐quantile regression when 1 < p < 2, and they combine the robustness properties of quantile regression with the efficiency of penalized expectile regression. These properties would be helpful for practitioners.
Effect of non‐recommended doses versus recommended doses of direct oral anticoagulants in atrial fibrillation patients: A meta‐analysis
Authors: Liu Xuyang , Huang Manxiang , Ye Caisheng , Xiao Xiujuan , Yan Chengguang 
Published: March 2021

AbstractBackgroundSeveral observational studies have shown that the inappropriate dosing use of direct oral anticoagulants (DOACs) in atrial fibrillation (AF) that does not conform to recommendations is becoming a widespread phenomenon. Therefore, we performed a meta‐analysis and systematic review to assess the effect of non‐recommended doses versus recommended doses of DOACs on the effectiveness and safety outcomes among AF patients.MethodsThe PubMed and Ovid databases were systematically searched to identify the relevant studies until December 2020. The effect estimates were hazard ratios (HRs) and 95% confidence intervals (CIs), which were pooled using a fixed‐effects model (I2 ≤ 50%) or a random‐effects model (I2 > 50%).ResultsA total of 11 studies were included in this meta‐analysis. Compared with recommended dosing of DOACs, non‐recommended low dosing of DOACs was associated with increased risks of stroke or systemic embolism (SSE, HR = 1.29, 95% CI 1.12–1.49) and all‐cause death (HR = 1.37, 95% CI 1.15–1.62), but not the ischemic stroke, myocardial infarction, gastrointestinal bleeding, intracranial bleeding, and major bleeding. Compared with recommended dosing of DOACs, non‐recommended high dosing of DOACs was associated with increased risks of SSE (HR = 1.44, 95% CI 1.01–2.04), major bleeding (HR = 1.99, 95% CI 1.48–2.68), and all‐cause death(HR = 1.38, 95% CI 1.02–1.87).ConclusionCompared with recommended dosing of DOACs, non‐recommended low dosing of DOACs was associated with increased risks of SSE and all‐cause death. Further study should confirm the findings of non‐recommended high dosing versus recommended dosing of DOACs.
Natural and Semisynthetic Pentacyclic Triterpenes for Chronic Myeloid Leukemia Therapy: Reality, Challenges and Perspectives
Authors: Barreto Vianna Débora Renz , Gotardi Jessica , Baggio Gnoatto Simone Cristina , Pilger Diogo André 
Published: March 2021

AbstractChronic myeloid leukemia (CML) is a neoplasm characterized by BCR‐ABL1, an oncoprotein with vital role in leukemogenesis. Its inhibition by tyrosine kinase inhibitors represents the main choice of treatment. However, therapeutic failure is worrying given the lack of pharmacological options. Pentacyclic triterpenes are phytochemicals with outstanding antitumoral properties and have also been explored as a basis for the design of potential leads. In this review, we have gathered and discuss data regarding both natural and semisynthetic pentacyclic triterpenes applied to CML cell treatment. We found consistent evidence that the class of pentacyclic triterpenes in general exerts promising pro‐apoptotic and antiproliferative activities in sensitive and resistant CML cells, and thus represents a rich source for drug development. We also analyze the predicted drug‐like properties of the molecules, discuss the structural changes with biological implications and show the great opportunities this class represents, as well as the perspectives they provide on drug discovery for CML treatment.
Tuning of Ionic Liquid Crystal Properties by Combining Halogen Bonding and Fluorous Effect
Authors: Cavallo Gabriella , Abate Antonio , Rosati Marta , Paolo Venuti Giovanni , Pilati Tullio , Terraneo Giancarlo , Resnati Giuseppe , Metrangolo Pierangelo 
Published: March 2021

AbstractWe report halogen‐bonded complexes between 1‐polyfluoroalkyl‐3‐alkylimidazolium iodides and mono‐iodoperfluoroalkanes of different chain lengths or di‐iodoperfluorooctane. 19F NMR analyses revealed that the preferred stoichiometry between the donors and acceptors is 1 : 1 in the cases of the mono‐iodoperfluoroalkanes, and 2 : 1 with di‐iodoperfluorooctane, as a result of the monodentate behavior of the iodide anion (halogen bond acceptor). Single crystal X‐ray diffraction analyses showed the presence of a perfluorinated superanion, which interdigitates with the cation fluorinated chains, favoring the formation of lamellar structures. All of the obtained supramolecular complexes exhibit enantiotropic liquid crystalline phases over a broad range of temperatures. Most of the obtained complexes show melting points lower than 100 °C, two of them being liquid at room temperature, thus representing a new family of fluorinated ionic liquid crystals.
Modeling Skin Inflammation Using Human In Vitro Models
Authors: Boarder Erika , Rumberger Beth , Howell Michael D. 
Published: March 2021

AbstractSkin is made up of an epidermis and, dermis which serve as a barrier against physical and environmental threats. Keratinocytes make up greater than 95% of the epidermis and form different layers based on their level of differentiation. Millions of individuals suffer from skin diseases, which are characterized by significant barrier disruption and inflammation. Investigators previously relied on animal models to investigate inflammatory skin diseases; however, technological advances have enabled the use of physiologically human skin models to investigate the effects of inflammatory mediators on the structure and function of skin cells. In this article, we describe two protocols using keratinocytes to investigate tumor necrosis factor alpha (TNF‐α) and interferon gamma (IFN‐γ) driven skin inflammation as a surrogate for psoriasis, vitiligo, and other autoimmune skin diseases driven by these cytokines. © 2021 Wiley Periodicals LLC.Basic Protocol 1: Preparing a HaCaT keratinocyte cultureBasic Protocol 2: 3‐Dimensional organotypic skin cultures to assess TNF‐α and IFN‐γ driven skin inflammation
Computational immune infiltration analysis of pediatric high‐grade gliomas (pHGGs) reveals differences in immunosuppression and prognosis by tumor location
Authors: Bailey Cavan P. , Wang Ruiping , Figueroa Mary , Zhang Shaojun , Wang Linghua , Chandra Joya 
Published: March 2021

AbstractImmunotherapy for cancer has moved from pre‐clinical hypothesis to successful clinical application in the past 15 years. However, not all cancers have shown response rates in clinical trials for these new agents. igh‐grade gliomas, in particular, have proved exceedingly refractory to immunotherapy. In adult patients, there has been much investigation into these failures, and researchers have concluded that an immunosuppressive microenvironment combined with low mutational burden renders adult glioblastomas “immune cold.” Pediatric cancer patients develop gliomas at a higher rate per malignancy than adults, and their brain tumors bear even fewer mutations. These tumors can also develop in more diverse locations in the brain, beyond the cerebral hemispheres seen in adults, including in the brainstem where critical motor functions are controlled. While adult brain tumor immune infiltration has been extensively profiled from surgical resections, this is not possible for brainstem tumors that can only be sampled at autopsy. Given these limitations, there is a dearth of information on immune cells and their therapeutic and prognostic impact in pediatric high‐grade gliomas (pHGGs), including hemispheric tumors in addition to brainstem. In this report, we use computational methods to examine immune infiltrate in pHGGs and discover distinct immune patterns between hemispheric and brainstem tumors. In hemispheric tumors, we find positive prognostic associations for regulatory T‐cells, memory B‐cells, eosinophils, and dendritic cells, but not in brainstem tumors. These differences suggest that immunotherapeutic approaches must be cognizant of pHGG tumor location and tailored for optimum efficacy.
Quantitative acetylome analysis reveals histone modifications that may predict prognosis in hepatitis B‐related hepatocellular carcinoma
Authors: Chai Xiaoqiang , Guo Jianfei , Dong Ruizhao , Yang Xuan , Deng Chao , Wei Chuanyuan , Xu JiaJie , Han Weiyu , Lu Jiacheng , Gao Chao , Gao Dongmei , Huang Cheng , Ke Aiwu , Li Shuangqi , Li Huanping , Tian Yingming , Gu Zhongkai , Liu Shuxian , Liu Hang , Chen Qilong , Liu Feng , Zhou Jian , Fan Jia , Shi Guoming , Wu Feizhen , Cai Jiabin 
Published: March 2021

AbstractLysine acetylation (Kac) as an important posttranslational modification of histones is essential for the regulation of gene expression in hepatocellular carcinoma (HCC). However, the atlas of whole acetylated proteins in HCC tissues and the difference in protein acetylation between normal human tissues and HCC tissues are unknown. In this report, we characterized the proteome and acetyl proteome (acetylome) profile of normal, paracancerous, and HCC liver tissues in human clinical samples by quantitative proteomics techniques. We identified 6781 acetylation sites of 2582 proteins and quantified 2492 acetylation sites of 1190 proteins in normal, paracancerous, and HCC liver tissues. Among them, 15 proteins were multiacetylated with more than 10 lysine residues. The histone acetyltransferases p300 and CBP were found to be hyperacetylated in hepatitis B virus pathway. Moreover, we found that 250 Kac sites of 214 proteins were upregulated and 662 Kac sites of 451 proteins were downregulated in HCC compared with normal liver tissues. Additionally, the acetylation levels of lysine 120 in histone H2B (H2BK120ac), lysine 18 in histone H3.3 (H3.3K18ac), and lysine 77 in histone H4 (H4K77ac) were increased in HCC. Interestingly, the higher levels of H2BK120ac, H3.3K18ac, and H4K77ac were significantly associated with worse prognosis, such as poorer survival and higher recurrence in an independent clinical cohort of HCC patients. Overall, this study lays a foundation for understanding the functions of acetylation in HCC and provides potential prognostic factors for the diagnosis and therapy of HCC.
A One‐Dimensional Cadmium Coordination Polymer: Synthesis, Structure, and Application as Luminescent Sensor for Cu2+ and CrO42−/Cr2O72− Ions
Authors: Zhang Xiamei , Huang Yuan , Zhang Qian , Li Dawei , Li Yahong 
Published: March 2021

AbstractA novel coordination polymer {[Cd4(CPIP)3Cl8]}n (CP1) was constructed from the reaction of CPIP (CPIP=1‐chloro‐3‐(pyridine‐2‐yl)imidazo[1,5‐a]pyridine) and CdCl2⋅2.5H2O under solvothermal conditions. The employment of CPIP as the ligand was based on the consideration that two types of Lewis basic sites (the fused nitrogen atom and the chlorine substituent) are present on the backbone of the ligand. These sites can be utilized for interacting with cations and anions, thus for the sensing functionality. Single‐crystal X‐ray diffraction studies revealed that CP1 exhibits interesting one‐dimensional (1D) polymeric chain structure. The adjacent four CdII ions are connected by one μ3‐Cl and five μ2‐Cl atoms to form a Chinese‐lantern‐like topology. CP1 is an excellent luminescent sensor for detecting Cu2+, CrO42− and Cr2O72− ions with high selectivity, sensitivity, and recyclability. Moreover, CP1 is the first reported chloride‐bridged coordination polymer that is capable of sensing Cu2+ ion. The mechanisms for sensing Cu2+, CrO42− and Cr2O72− ions were investigated and discussed.
Insoluble π‐Conjugated Polyimine as an Organic Adsorbent for Group 10 Metal Ions
Authors: Shirakura Hayato , Hijikata Yuh , Pirillo Jenny , Yoneda Tomoki , Manabe Yumehiro , Murugavel Muthuchamy , Ide Yuki , Inokuma Yasuhide 
Published: March 2021

AbstractMetal ion adsorbents are indispensable materials for the recovery of noble metal ions in a sustainable society. Herein, we report that poly(isopyrazole‐3,5‐diyl‐trans‐vinylene) (1) effectively adsorbed group 10 metal ions from solution in acetonitrile. Owing to its fully π‐conjugated and rigid structure, polyimine1was virtually insoluble in common organic solvents and water, making it advantageous for metal ion adsorption via a solid/liquid interface. Inductively coupled plasma (ICP) analysis showed that ≥90 % of Ni2+, Pd2+, and Pt2+ions were adsorbed at a concentration of 10 μM (order of ≤2 ppm) after stirring suspensions at room temperature. Metal ion desorption was achieved by treatment with ethylenediaminetetraacetic acid disodium salt (EDTA ⋅ 2Na), and the adsorbent was reused. Theoretical calculations supported that the desolvation energy was an important factor for effective adsorption in acetonitrile.
Strategic Synthesis of ‘Picket Fence’ Porphyrins Based on Nonplanar Macrocycles**
Authors: Norvaiša Karolis , Yeow Kathryn , Twamley Brendan , Roucan Marie , Senge Mathias O. 
Published: March 2021

AbstractTraditional ‘picket fence’ porphyrin systems have been a topic of interest for their capacity to direct steric shielding effects selectively to one side of the macrocycle. Sterically overcrowded porphyrin systems that adopt macrocycle deformations have recently drawn attention for their applications in organocatalysis and sensing. Here we explore the combined benefits of nonplanar porphyrins and the old molecular design to bring new concepts to the playing field. The challenging ortho‐positions of meso‐phenyl residues in dodecasubstituted porphyrin systems led us to transition to less hindered para‐ and meta‐sites and develop selective demethylation based on the steric interplay. Isolation of the symmetrical target compound [2,3,7,8,12,13,17,18‐octaethyl‐5,10,15,20‐tetrakis(3,5‐dipivaloyloxyphenyl)porphyrin] was investigated under two synthetic pathways. The obtained insight was used to isolate unsymmetrical [2,3,7,8,12,13,17,18‐octaethyl‐5,10,15,20‐tetrakis(2‐nitro‐5‐pivaloyloxyphenyl)porphyrin]. Upon separation of the atropisomers, a detailed single‐crystal X‐ray crystallographic analysis highlighted intrinsic intermolecular interactions. The nonplanarity of these systems in combination with ‘picket fence’ motifs provides an important feature in the design of supramolecular ensembles.
3D time‐domain nonlinear analysis of soil‐structure systems subjected to obliquely incident SV waves in layered soil media
Authors: Zhang Wenyang , Taciroglu Ertugrul 
Published: March 2021

AbstractNumerous experiments and prior analyses have confirmed that the angle of incidence of a seismic wave can significantly affect ground response and dynamic soil–structure interaction (SSI) behavior. Realistically, obliquely incident waves will be generated due to the soil heterogeneity and stratigraphy, which can lead into complex wave propagation and scattering patterns. In this study, we propose a novel methodology that (i) utilizes the wave potential theory to derive the 3D time‐domain analytical solutions for free‐field response under obliquely incident SV waves in layered soil media; (ii) makes use of high‐fidelity numerical tools—namely, the domain reduction method (DRM) and the perfectly matched layers (PMLs)—to inject the obliquely incident waves into the domain of interest and to absorb the outgoing scattered motions, respectively; (iii) enables nonlinear time‐domain site response and SSI analyses that feature an advanced constitutive model for soil. Finally, a 3D 20‐story steel building is modeled as a case study. The building rests on a two‐layer half‐space and is subjected to an obliquely incident seismic wave. The SV wave's angles of incidence are varied to investigate its effects on structural responses, such as horizontal, vertical, and rotational floor accelerations, as well as interstory drift ratios.
Correlated Ni, Cu, and Zn Sensitivities of 8 Freshwater Algal Species and Consequences for Low-Level Metal Mixture Effects
Authors: Fettweis Andreas , Bergen Benoit , Hansul Simon , De Schamphelaere Karel , Smolders Erik 
Published: March 2021

Abstract
Predicting metal sensitivities and metal mixture interactions for species within each trophic level is essential to understand the effects of metals at the ecosystem level. The present study was set up to explore the correlations of metal sensitivities among species and if these sensitivities or metal mixture interactions are related to growth or morphological traits. The toxicity of Ni, Cu, and Zn on algal growth was tested for 8 freshwater algal species when dosed singly and in combinations in phosphorus-limiting static systems. The metal sensitivities on specific growth rate (10% effect concentrations expressed as free ion activities) varied 2 to 3 orders of magnitude among species depending on metal. These sensitivities were unrelated (p &gt; 0.05) to their specific growth rate (0.7–1.8 d–1) or cell volume (100–103m3 cell–1). Species-specific differences in one or more toxicokinetic and/or toxicodynamic (TKTD) processes are likely at the basis of this variation. The log-transformed metal sensitivities positively correlated (p &lt; 0.1) among the species in all 3 binary combinations (Ni–Cu, Ni–Zn, and Cu–Zn), suggesting that species have correlated TKTD rates for these metals. Furthermore, they would also predict stronger effects of metal mixtures on algal community biodiversity than what would be expected without a positive correlation. Low-level metal mixture effects varied similarly, largely among species and mixture interactions that were highly variable: ranging from synergistic to antagonistic relative to independent action during exponential growth, whereas mixture interactions at 10% effect shifted toward additivity/synergism relative to concentration addition at carrying capacity. Some evidence was found for stronger synergistic mixture effects in smaller species. Overall, the present study highlights the importance of incorporating more species in sensitivity distributions and accounting for mixture toxicity in risk assessment. Environ Toxicol Chem 2021;40:2013–2023. © 2021 SETAC
Delineating the tacit knowledge‐seeking phase of knowledge sharing: The influence of relational social capital components
Authors: Gubbins Claire , Dooley Lawrence 
Published: March 2021

AbstractMuch knowledge on which performance in practice is based is tacit (Smith, 2001) making it a valuable, rare resource, which is difficult to imitate or substitute (Barney, 1991) and a vital source of organizational competitive advantage. However, there is limited research available delineating tacit from explicit knowledge (Insch et al., 2008; Garcia‐Perez & Mitra, 2007) and thus gaps in our understanding about how to derive the greatest value from it. Knowledge management (KM) is partly a socially constructed phenomenon embedded in people and relationships (Nonaka, 1991). However, KM research has neglected the role of the microlevel of individuals and social interactions (Foss, 2009). Furthermore, knowledge sharing research neglects to explore all phases of what is a bidirectional relationship. Scant research exists on the knowledge‐seeking process—from the seeker to the source (Hansen et al., 2005) as the focus is on the unidirectional notion of knowledge sharing—from the source to the seeker (Kim et al., 2011). This study utilizes the social capital lens, which focuses on social relationships and in particular therelations between, rather than thecharacteristics of, individuals, groups, processes, or organizations, to explore tacit knowledge‐seeking processes. The data are based on five American multinational manufacturing organizations and interviews with 105 operators, technicians, and engineers engaged in tacit knowledge work. The paper discusses the results of the investigation of the relational social capital factors of trust, norms, sanctions and social identification, and their influence on decisions to operationalize a tacit knowledge‐seeking interaction.