bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective Electrocatalytic Reduction of Oxygen to Hydroxyl Radicals via 3‐Electron Pathway with FeCo Alloy Encapsulated Carbon Aerogel for Fast and Complete Removing Pollutants
Authors: Xiao Fan , Wang Zining , Fan Jiaqi , Majima Tetsuro , Zhao Hongying , Zhao Guohua 
Published: February 2021

AbstractWe reported the selective electrochemical reduction of oxygen (O2) to hydroxyl radicals (.OH) via 3‐electron pathway with FeCo alloy encapsulated by carbon aerogel (FeCoC). The graphite shell with exposed ‐COOH is conducive to the 2‐electron reduction pathway for H2O2generation stepped by 1‐electron reduction towards to.OH. The electrocatalytic activity can be regulated by tuning the local electronic environment of carbon shell with the electrons coming from the inner FeCo alloy. The new strategy of.OH generation from electrocatalytic reduction O2overcomes the rate‐limiting step over electron transfer initiated by reduction‐/oxidation‐state cycle in Fenton process. Fast and complete removal of ciprofloxacin was achieved within 5 min in this proposed system, the apparent rate constant (kobs) was up to 1.44±0.04 min−1, which is comparable with the state‐of‐the‐art advanced oxidation processes. The degradation rate almost remains the same after 50 successive runs, suggesting the satisfactory stability for practical applications.
Thermal and pH Stabilities of i‐DNA: Confronting in vitro Experiments with Models and In‐Cell NMR Data
Authors: Cheng Mingpan , Qiu Dehui , Tamon Liezel , Ištvánková Eva , Víšková Pavlína , Amrane Samir , Guédin Aurore , Chen Jielin , Lacroix Laurent , Ju Huangxian , Trantírek Lukáš , Sahakyan Aleksandr B. , Zhou Jun , Mergny Jean‐Louis 
Published: February 2021

AbstractRecent studies indicate that i‐DNA, a four‐stranded cytosine‐rich DNA also known as the i‐motif, is actually formed in vivo; however, a systematic study on sequence effects on stability has been missing. Herein, an unprecedented number of different sequences (271) bearing four runs of 3–6 cytosines with different spacer lengths has been tested. While i‐DNA stability is nearly independent on total spacer length, the central spacer plays a special role on stability. Stability also depends on the length of the C‐tracts at both acidic and neutral pHs. This study provides a global picture on i‐DNA stability thanks to the large size of the introduced data set; it reveals unexpected features and allows to conclude that determinants of i‐DNA stability do not mirror those of G‐quadruplexes. Our results illustrate the structural roles of loops and C‐tracts on i‐DNA stability, confirm its formation in cells, and allow establishing rules to predict its stability.
Catalytic Boration of Alkyl Halides with Borane without Hydrodehalogenation Enabled by Titanium Catalyst
Authors: Wang Xianjin , Cui Penglei , Xia Chungu , Wu Lipeng 
Published: February 2021

AbstractAn unprecedented and general titanium‐catalyzed boration of alkyl (pseudo)halides (alkyl‐X, X=I, Br, Cl, OMs) with borane (HBpin, HBcat) is reported. The use of titanium catalyst can successfully suppress the undesired hydrodehalogenation products that prevail using other transition‐metal catalysts. A series of synthetically useful alkyl boronate esters are readily obtained from various (primary, secondary, and tertiary) alkyl electrophiles, including unactivated alkyl chlorides, with tolerance of other reducing functional groups such as ester, alkene, and carbamate. Preliminary studies on the mechanism revealed a possible radical reaction pathway. Further extension of our strategy to aryl bromides is also demonstrated.
Application of data reconciliation and gross error detection techniques to enhance reliability and consistency of the blast furnace process data
Authors: Hazra Sujan , Abhale Prakash , Nag Samik , Mathew Sam , Narasimhan Shankar 
Published: February 2021

AbstractEffective control of a blast furnace (BF) process requires accurate estimates of key process indicators (KPIs), namely, productivity, coke rate, direct reduction per cent, adiabatic flame temperature, bosh gas volume and top gas utilization. Some of these KPIs are obtained directly from the measurements, and some are derived by carrying out material and energy balances on measurements of different feeds, their compositions and temperatures. Due to errors in the measurements, the estimates of the KPIs can be inconsistent or misleading, which may result in misinterpretation of the current state of the BF process. Hence, it is necessary to reconcile the measurement data before these are used either for interpreting the current furnace state directly or as an input to other models. In the proposed methodology, data reconciliation and gross error detection techniques are used to improve the accuracy of the estimates of process variables and parameters, by ensuring that they satisfy process constraints such as elemental balances of iron, nitrogen, carbon, oxygen and hydrogen. Since the BF is a fed‐batch process, a customized version of these techniques has been developed and applied real time to an operating BF. The method is shown to be useful in deriving consistent estimates of the hot metal production rate, identifying gross errors in the online gas analyser and for estimating unmeasured parameters, such as top gas flow rate, its moisture concentration and calorific value which are useful for the purpose of stove heating in the downstream process.
The effect of microRNA‐330 replacement on inhibition of growth and migration in renal cancer cells
Authors: Liu Jun , Song Xin , Ren Zhongwei 
Published: February 2021

AbstractThis study was conducted to scrutinize microRNA‐330 (miR‐330) role in growth, migration, and the expression of metastatic genes in renal cell carcinoma (RCC) in vitro. Following transfection of the cells with miR‐330 mimic, cell proliferation using 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide, cell migration by wound healing assay, and apoptosis by flow cytometry were evaluated. Quantitative real‐time PCR was conducted to assess expression levels of matrix metalloproteinase 2 (MMP2), MMP9, a disintegrin and metalloproteinase with thrombospondin motifs (ADAMTS), Kirsten rat sarcoma virus (K‐Ras), cellular Myc (c‐Myc), and C‐X‐C chemokine receptor type 4 (CXCR‐4) as metastatic genes in the progression of RCC. Results showed that miR‐330 was downregulated in the Caki‐1 cells compared with HK‐2 cells (p < 0.001). Upregulation of miR‐330 obstructed in vitro expansion and migration, while it intensified apoptosis rate in the Caki‐1 cells. Moreover, it was found that miR‐330 transfection negatively modulated the expression of MMP2, MMP9, ADAMTS, K‐Ras, c‐Myc, and CXCR‐4 in the Caki‐1 cells. Our findings revealed that overexpression of miR‐330 might provide an auxiliary treatment approach for overcoming invasion, progression, and metastasis in patients with RCC by enhancing cell apoptosis.
Production of β‐carotene in Saccharomyces cerevisiae through altering yeast lipid metabolism
Authors: Zhao Yijin , Zhang Yueping , Nielsen Jens , Liu Zihe 
Published: February 2021

AbstractSaccharomyces cerevisiae is a widely used cell factory for the production of fuels and chemicals. However, as a non‐oleaginous yeast, S. cerevisiae has a limited production capacity for lipophilic compounds, such as β‐carotene. To increase its accumulation of β‐carotene, we engineered different lipid metabolic pathways in a β‐carotene producing strain and investigated the relationship between lipid components and the accumulation of β‐carotene. We found that overexpression of sterol ester synthesis genes ARE1 and ARE2 increased β‐carotene yield by 1.5‐fold. Deletion of phosphatidate phosphatase (PAP) genes (PAH1, DPP1, and LPP1) also increased β‐carotene yield by twofold. Combining these two strategies resulted in a 2.4‐fold improvement in β‐carotene production compared with the starting strain. These results demonstrated that regulating lipid metabolism pathways is important for β‐carotene accumulation in S. cerevisiae, and may also shed insights to the accumulation of other lipophilic compounds in yeast.
A novel, rapid and simple UPLC–MS/MS method for quantification of favipiravir in human plasma: Application to a bioequivalence study
Authors: Rezk Mamdouh R. , Badr Kamal A. , Abdel‐Naby Naglaa S. , Ayyad Magy M. 
Published: February 2021

AbstractA novel, simple and rapid UPLC–MS/MS method was developed and validated for determination of favipiravir (FAV) in human plasma. Lamivudine was used as an internal standard (IS). The Xevo TQD LC–MS/MS was operated under the multiple‐reaction monitoring mode using electrospray ionization. Precipitation with acetonitrile was used in sample preparation as it gives relatively cleaner plasma samples. The prepared samples were chromatographed using an Acquity UPLC® HSS C18 (100 × 2.1 mm, 1.8 μm) column. The mobile phase was composed of ammonium formate and methanol in a gradient mode that was pumped at a flow rate of 0.35 ml/min. The developed method was validated as per the FDA guidelines and linearity was in the range of 0.25–16 μg/ml for FAV. The intra‐ and inter‐day precision and accuracy results were within the acceptable limits. A run time of 4.5 min and a low quantification limit of FAV allowed the application of the developed method for the determination of FAV in a bioequivalence study in healthy human volunteers.
New genetic prognostic biomarkers in primary central nervous system lymphoma (PCNSL)
Authors: Gomes Candido Reis Diego , Levy Débora , Lage Luís Alberto de Pádua Covas , Culler Hebert Fabrício , Rocha Vanderson , Bydlowski Sérgio Paulo , Nogueira Zerbini Maria Cláudia , Pereira Juliana 
Published: February 2021

AbstractBackgroundPCNSL is a rare extranodal NHL with poor prognosis. Tumorigenesis has been associated with hyperactivation of BCR downstream and NFkB pathways. We studied the prognosis of the relative expression profile of target genes of NFkB pathway (MYC, BCL2), the essential transcriptional regulator in hematopoiesis LMO2, the checkpoint regulation pathway MGMT, the transcription factor POU2F1, the immune checkpoint gene PDCD1, and the proto‐oncogene and transcriptional repressor gene BCL6 and its proteins in PCNSL.MethodsThis study is a retrospective cohort study; 35 immunocompetent PCNSL‐DLBCL patients had their gene expression (RT‐qPCR) normalized to internal control gene GUSB.ResultsMedian patient age was 62 years, median OS was 42.6 months (95% CI: 26.6–58.6), PFS was 41 months (95% CI: 19.7–62.4), and DFS was 59.2 months (95% CI 31.9–86.6). A moderate correlation was found between the gene/protein expressions of MYC (kappa = 0.596, p = .022) and of BCL2 (kappa = 0.426, p = .042). Relative gene expression of MYC ≥ 0.201 (HR 6.117; p = .003) was associated with worse 5‐year OS. Relative gene expression of MYC ≥ 0.201 (HR 3.96; p = .016) and MGMT ≥ 0.335 (HR 3.749; p = .056) was associated with worse PFS. Age > 60 years and IELSG score moderate/high were also associated with worse prognosis.ConclusionsOverexpression of MYC and overexpression of MGMT were prognostic markers associated with unfavorable clinical outcomes in PCNSL.
Junction plakoglobin regulates and destabilizes HIF2α to inhibit tumorigenesis of renal cell carcinoma
Authors: Chen Ke , Zeng Jin , Sun Yi , Ouyang Wei , Yu Gan , Zhou Hui , Zhang Yangjun , Yao Weimin , Xiao Wei , Hu Junhui , Xing Jinchun , Xiao Kefeng , Wu Lily , Chen Zhiqiang , Ye Zhangqun , Xu Hua 
Published: February 2021

AbstractBackgroundIncreased hypoxia‐inducible factor 2α (HIF2α) activation is a common event in clear cell renal cell carcinoma (ccRCC) progression. However, the function and underlying mechanism of HIF2α in ccRCC remains uninvestigated. We conducted this study to access the potential link between junction plakoglobin (JUP) and HIF2α in ccRCC.MethodsAffinity purification and mass spectrometry (AP‐MS) screening, glutathione‐s‐transferase (GST) pull‐down and co‐immunoprecipitation (Co‐IP) assays were performed to detect the interacting proteins of HIF2α. Quantitative PCR (qPCR) and Western blotting were used to detect the expression of JUP in human ccRCC samples. Luciferase reporter assays, chromatin immunoprecipitation (ChIP), cycloheximide chase assays, and ubiquitination assays were conducted to explore the regulation of JUP on the activity of HIF2α. Cell Counting Kit‐8 (CCK‐8) assays, colony formation assays, transwell assays, and xenograft tumor assays were performed to investigate the effect of JUP knockdown or overexpression on the tumorigenicity of renal cancer cells.ResultsWe identified JUP as a novel HIF2α‐binding partner and revealed an important role of JUP in recruiting von Hippel‐Lindau (VHL) and histone deacetylases 1/2 (HDAC1/2) to HIF2α to regulate its stability and transactivation. JUP knockdown promoted and overexpression suppressed the tumorigenicity of renal cell carcinoma in vitro and in vivo. Importantly, the low expression of JUP was found in clinical ccRCC samples and correlated with enhanced hypoxia scores and poor treatment outcomes.ConclusionTaken together, these data support a role of JUP in modulating HIF2α signaling during ccRCC progression and identify JUP as a potential therapeutic target.
A case of insulinoma diagnosed postpartum with hypoglycemic symptoms that were masked during pregnancy
Authors: Abe Tomoe , Takeda Yasutaka , Takiyama Takao , Sasaki Ayaka , Bessho Ryoichi , Sato Mao , Kitsunai Hiroya , Sakagami Hidemitsu , Abiko Atsuko , Imai Koji , Yuzawa Sayaka , Tanino Mishie , Takiyama Yumi 
Published: February 2021

AbstractThe diagnosis of insulinoma in perinatal women can be difficult, as hypoglycemic symptoms may be masked by pregnancy‐associated insulin resistance. In addition, when multiple insulinomas are observed, it is necessary to consider the possibility not only of MEN1, but also of insulinomatosis.
Into the Fray! A Beginner's Guide to Medicinal Chemistry
Authors: Veale Clinton G. L. 
Published: February 2021

AbstractModern medicinal chemistry is a complex, multidimensional discipline that operates at the interface of the chemical and biological sciences. The medicinal chemistry contribution to drug discovery is typically described in the context of the well‐recited linear progression of the drug discovery pipeline. However, compound optimization is idiosyncratic to each project, and clear definitions of hit and lead molecules and the subsequent progress along the pipeline becomes easily blurred. In addition, this description lacks insight into the entangled relationship between chemical and pharmacological properties, and thus provides limited guidance on how innovative medicinal chemistry strategies can be applied to solve optimization problems, regardless of the stage in the pipeline. Through discussion and illustrative examples, this article seeks to provide insights into the finesse of medicinal chemistry and the subtlety of balancing chemical properties pharmacology. In so doing, it aims to serve as an accessible and simple‐to‐digest guide for anyone who wishes to learn about the underlying principles of medicinal chemistry, in a context that has been decoupled from the pipeline description.
Use of a clinical trial screening tool to enhance patient accrual
Authors: St. Germain Diane C. , McCaskill‐Stevens Worta 
Published: February 2021

BackgroundClinical trial patient accrual continues to be challenging despite the identification of multiple physician, patient, and system barriers. Expanded collection of demographic data, including socioeconomic status (employment, income, education) and comorbidities, can enhance our understanding of the identified barriers, inform the development of interventions to overcome these barriers, and recognize their impact on treatment outcomes. A clinical trials screening tool was developed to collect expanded demographic data and barriers to trial enrollment; it has been implemented in the National Cancer Institute Clinical Oncology Research Program. The purpose of this article is to describe the development and implementation of the tool and to share information obtained during the first 43 months of its use.MethodsThere were 19,373 entries collected; 74% of those screened enrolled in a clinical trial. Demographic characteristics were compared between those screened and those enrolled. They varied significantly between the groups.ResultsReasons for nonenrollment included ineligibility (50%), eligible but declined (47%), eligible but physician declined to offer participation (2%), and eligible but the study was suspended (1%). The most common reasons for ineligibility were failure to meet the protocol‐specific stage of cancer, the presence of comorbidities, and the symptom‐eligibility score was not met. The most common reason for eligible patients declining participation was that they had no desire to participate in research.ConclusionsThe tool provides valuable information about the characteristics of individuals who are screened and enrolled in National Cancer Institute–sponsored trials, as well as about barriers to enrollment in trials. The data also inform protocol development and interventions at the patient, provider, and institutional level.
Photopharmacology on Acetylcholinesterase: Novel Photoswitchable Inhibitors with Improved Pharmacological Profiles
Authors: Scheiner Matthias , Sink Alexandra , Spatz Philipp , Endres Erik , Decker Michael 
Published: February 2021

AbstractConsiderable effort has previously been invested in a light‐controlled inhibition of the enzyme acetylcholinesterase (AChE). We found that a novel azobenzene‐based bistacrine AChE inhibitor switched faster than the known dithienylethene based bistacrine and inverted the photo‐controlled interactions of the photoisomers compared to its dithienylethene congener. Furthermore, we have optimized a previously described light‐controlled tacrine‐based AChE inhibitor. Isomerization upon irradiation with UV light of the novel inhibitor was observed in aqueous medium and showed no fatigue over several cycles. The cis‐enriched form showed an 8.4‐fold higher inhibition of hAChE compared with its trans‐enriched form and was about 30‐fold more active than the reference compound tacrine with a single‐digit nanomolar inhibition. We went beyond proof‐of‐concept to discover photoswitchable AChE inhibitors with pharmacologically desirable nanomolar inhibition, “cis‐on” effect, and pronounces differences between the photoisomers.
Sustainable Access to 5‐Amino‐Oxazoles and Thiazoles via Calcium‐Catalyzed Elimination‐Cyclization with Isocyanides
Authors: Basson Ashley J. , McLaughlin Mark G. 
Published: February 2021

AbstractHerein, we report a sustainable, modular, rapid and high‐yielding transformation to afford densely functionalized 5‐aminooxazoles and thiazoles. The reaction is tolerant to a wide range of functional groups and is typically complete in under 30 min. Furthermore, the described transformation is inherently green in relation to the catalyst and solvent choice as well as producing environmentally benign alcoholic by‐products.
A “Solvent‐Free” Crystal Structure of [Fe{N(SiMe3)2}3] – Synthesis, Structure and Properties
Authors: Indris Sylvio , Knapp Michael , Schwarz Björn , Eichhöfer Andreas 
Published: February 2021

AbstractFor the synthesis of the ferric bis(trimethylsilyl)amido complex [Fe{N(SiMe3)2}3] literature gives differing synthetic protocols based on crystallization from solution. In this report we present a ‘solvent‐free’ structural phase of [Fe{N(SiMe3)2}3] which was isolated by sublimation of the product obtained from the reaction of 2 eq FeCl3 with 3 eq LiN(SiMe3)2 in benzene. It could be characterized by single crystal as well as powder XRD and elemental analysis. However, 57Fe Mößbauer spectroscopy suggests a contamination of the main product with an Fe(II) species. Also, a part of the solid reaction byproducts from the reactions in solution were identified by powder XRD and 7Li MAS NMR which indicate distinct redox side reactions between oxidizing FeCl3 and reducing LiN(SiMe3)2, a fact which rationalizes the lower than expected yields and the observation of an Fe(II) impurity compound. AC magnetic measurements of [Fe{N(SiMe3)2}3] have been performed in an extended frequency range up to 104 s−1, allowing for a more precise evaluation of the magnetic relaxation parameters when compared to previously published measurements.
Planar and Rigid Pyrazine‐Based TADF Emitter for Deep Blue Bright Organic Light‐Emitting Diodes
Authors: Rajamalli Pachaiyappan , Chen Dongyang , Suresh Subeesh Madayanad , Tsuchiya Youichi , Adachi Chihaya , Zysman‐Colman Eli 
Published: February 2021

AbstractTwo blue thermally activated delayed fluorescence (TADF) emitters bearing di‐tert‐butyl carbazoles as the electron donor groups and pyrazine (DTCz‐Pz) or dipyrazine (DTCz‐Pz) as the electron acceptor are presented. The DFT calculations predict DTCz‐Pz and DTCz‐DPz to possess high S1 energies (3.19 eV and 3.08 eV, respectively), and relatively large ΔEST values (0.52 eV and 0.56 eV, respectively). The closely layered intermediate triplet states between S1 and T1, predicted by DFT calculations, are expected to facilitate the reverse intersystem crossing (RISC) and improve spin‐vibronic coupling efficiency between the excited states, even the relatively larger ΔESTs. The ΔESTs for DTCz‐Pz and DTCz‐DPz are 0.27 eV and 0.38 eV, and both molecules show high photoluminescence quantum yields (65 %, and 70 %, respectively). The decay lifetimes show temperature dependence in a PPT host, which is consistent with the fact that both molecules are TADF emitters in PPT. The OLEDs based on DTCz‐Pz exhibit deep blue emission with λEL of 460 nm and CIE of (0.15, 0.16). The maximum external quantum efficiency (EQEmax) reaches 11.6 %, with a maximum luminance (Lmax) of up to 6892 cd m−2, while the device based on DTCz‐DPz exhibits sky blue emission with λEL of 484 nm and CIE of (0.15, 0.30), an EQEmax of 7.2 %, and Lmax of 8802 cd m−2.
Highly Oriented Nitrogen‐doped Carbon Nanotube Integrated Bimetallic Cobalt Copper Organic Framework for Non‐enzymatic Electrochemical Glucose and Hydrogen Peroxide Sensor
Authors: Kim So eun , Muthurasu Alagan 
Published: February 2021

AbstractThe hierarchical three‐dimensional nitrogen‐doped carbon nanotube anchored bimetallic cobalt copper organic framework (NCNT MOF CoCu) is successfully synthesized by the direct growth approach using the high‐temperature carbonization of bimetallic cobalt copper organic framework (MOF CoCu‐500). The as‐prepared NCNT MOF CoCu nanostructure possesses high‐level activity for both glucose and hydrogen peroxide (H2O2) sensing molecules. The cyclic voltammetry (CV) and chronoamperometry (CA) studies demonstrate excellent electrocatalytic performance for the oxidation of glucose with a linear range of 0.05 to 2.5 mM, high sensitivity of 1027 μA mM−1cm−2, and the lowest detection limit of 0.15 μM. Similarly, the NCNT MOF CoCu nanostructure showed significantly higher H2O2 activity with a linear range of 0.05 to 3.5 mM, high sensitivity of 639.5 μA mM−1cm−2, and the lowest detection limit of 0.206 μM. Thanks to its special hierarchical nanoarchitecture, homogeneous nitrogen‐doped carbon nanotubes, and highly graphitized carbon, which may be increased the synergistic effect between bimetallic CoCu and NCNT in the organic framework. The potentially effective fabricated sensor was also used as a suitable probe for the detection of glucose and H2O2 in the analysis of the real samples.