bluuebunny/crossref_metadata_2025_split huggingface dataset:
Characterization of fragment sizes, copy number aberrations and 4‐mer end motifs in cell‐free DNA of hepatocellular carcinoma for enhanced liquid biopsy‐based cancer detection
Authors: Jin Chao , Liu Xiaonan , Zheng Wenyuan , Su Liping , Liu Yang , Guo Xu , Gu Xiaoming , Li Hongping , Xu Bo , Wang Gang , Yu Jiyan , Zhang Qiong , Bao Dengke , Wan Shaogui , Xu Fei , Lai Xiaohuan , Liu Jiayun , Xing Jinliang 
Published: June 2021

Circulating cell‐free DNA (cfDNA) fragmentomics, which encompasses the measurement of cfDNA length and short nucleotide motifs at the ends of cfDNA molecules, is an emerging field for cancer diagnosis. The utilization of cfDNA fragmentomics for the diagnosis of patients with hepatocellular carcinoma (HCC) caused by hepatitis B virus (HBV) is currently limited. In this study, we utilized whole‐genome sequencing data of cfDNA in samples from patients with HCC (n = 197) and HBV (n = 187) to analyze the association of fragment size selection (< 150 bp) with tumor fraction (TF), copy number variation (CNV) alterations and the change in the proportion of 4‐mer end motifs in HCC and HBV samples. Our analyses identified five typical CNV markers (i.e. loss in chr1p, chr4q and chr8p, and gain in chr1q and chr8q) in cfDNA with a cumulatively positive rate of ˜ 95% in HCC samples. Size selection (< 150 bp) significantly enhanced TF and CNV signals in HCC samples. Additionally, three 4‐mer end motifs (CCCA, CCTG and CCAG) were identified as preferred end motifs in HCC samples. We identified 139 end motifs significantly associated with fragment size that showed similar patterns of associations between patients with HCC and HBV, suggesting that end motifs might be inherently coupled with fragment size by a ubiquitous mechanism. Here we conclude that CNV markers, fragment size selection and end‐motif pattern in cfDNA have potential for effective detection of patients with HCC.
Design and Qualification of Pr–Fe–Cu–B Alloys for the Additive Manufacturing of Permanent Magnets
Authors: Schäfer Lukas , Skokov Konstantin , Liu Jianing , Maccari Fernando , Braun Tobias , Riegg Stefan , Radulov Iliya , Gassmann Jürgen , Merschroth Holger , Harbig Jana , Weigold Matthias , Gutfleisch Oliver 
Published: June 2021

AbstractThe direct use of an advanced binder‐free additive manufacturing technique, namely laser powder bed fusion (L‐PBF), does not easily allow obtaining variously shaped, fully dense Nd–Fe–B magnets with high coercivity. The process inherently leads to the re‐melting of the powder and appearance/disappearance of undesired/desired microstructural features responsible for low and large coercivity. In this work, the development of a useful microstructure responsible for high coercivity in Pr21Fe73.5Cu2B3.5 and Nd21Fe73.5Cu2B3.5 alloys and a possible way to produce fully dense permanent magnets via additive manufacturing processes is demonstrated using: (i) suction casting technique, which provides a high cooling rate and thus similar microstructures as in L‐PBF but requires only very small amounts of powder; (ii) conventional L‐PBF processing using kg of powder, and (iii) a subsequent annealing treatment that is similar to a conventional sintering treatment. The subsequent heat treatment is necessary to develop high coercivity by forming a novel microstructure: hard magnetic (Nd,Pr)2Fe14B grains embedded in a matrix of intermetallic (Nd,Pr)6Fe13Cu phase. Furthermore, it is demonstrated that Pr21Fe73.5Cu2B3.5 exhibits a higher coercivity than Nd21Fe73.5Cu2B3.5 because of a finer and more homogeneous grain size distribution of the Pr2Fe14B phase. The final L‐PBF printed Pr21Fe73.5Cu2B3.5 samples provide a coercivity of 0.75 T.
Achieving High Electroluminescence Efficiency and High Color Rendering Index for All‐Fluorescent White OLEDs Based on an Out‐of‐Phase Sensitizing System
Authors: Liu Hao , Chen Jinke , Fu Yan , Zhao Zujin , Tang Ben Zhong 
Published: June 2021

AbstractSensitizing conventional fluorescence (CF) dopants with thermally activated delayed fluorescence (TADF) materials has achieved considerable progress, by which the advantages of TADF materials and CF dopants can be fully harnessed. However, the usually used co‐phase configuration of CF dopant‐engaged sensitizing systems often encounters exciton loss due to Dexter energy transfer (DET). Herein, an effective out‐of‐phase configuration is proposed to sensitize CF dopants in the fabrication of white organic light‐emitting diodes (WOLEDs). Based on a new efficient sky‐blue TADF luminogen DCP‐BP‐DPAC which has an electroluminescence (EL) peak at 486 nm and an EL efficiency of 26.6%, a green TADF material BDMAC‐XT, and a red CF dopant DBP sensitized by BDMAC‐XT through an out‐of‐phase configuration without interlayer, efficient WOLEDs are successfully fabricated. By further adopting orange TBRB or 4CzTPNBu as intermediate sensitizers, more efficient energy transfer to DBP is achieved via Förster energy transfer. Through step‐by‐step energy transfer and elimination of excess DET process, high‐performance all‐fluorescent WOLEDs are achieved, providing excellent EL efficiencies over 23.0%, and highly stable white light with a high color rendering index of 87. The outstanding EL performance and high‐quality emission color demonstrate the great potential of the proposed out‐of‐phase design for sensitizing systems of WOLEDs.
Fluidic Infiltrative Assembly of 3D Hydrogel with Heterogeneous Composition and Function
Authors: Escobar Alberto Ranier , Zanganeh Somayeh , Sullivan Jonathan , Li Lei , Dautta Manik , Lee Jaeho , Tseng Peter 
Published: June 2021

Abstract3D hydrogels are powerful, multifunctional materials that are poised to become a building block in next‐generation systems. Modern schemes to print complex 3D hydrogels are advancing rapidly; however, they possess several limitations including—but not limited to—polymer incompatibility or difficulty in imparting continuous heterogeneity in composition or function. Here, a simple strategy of synthesizing programmable hydrogel systems with tunable form and function in 3D is presented. This approach utilizes commercially available stereolithographic printer/resin to fabricate high‐resolution molds followed by the programmed infiltration and gelation of hydrogel prepolymer. This mold is then sacrificed to yield 3D, multifunctional hydrogels exhibiting user‐defined heterogeneity. The approach is compatible with numerous in‐situ gelling polymers and modifiers ranging from interpenetrating networks of organic or synthetic polymers to functional materials possessing dense concentrations of nanomaterials or fluorescent markers. Accessible and versatile, this approach allows the fabrication of complex, multimaterial constructs with tunable 3D environmental responses inaccessible to well‐established hydrogel 3D printing methods.
Biofilm‐Sensitive Photodynamic Nanoparticles for Enhanced Penetration and Antibacterial Efficiency
Authors: Wu Shuangmei , Xu Chen , Zhu Yiwen , Zheng Liang , Zhang Ludan , Hu Yang , Yu Bingran , Wang Yuguang , Xu Fu‐Jian 
Published: June 2021

AbstractEfficient antimicrobials are urgently needed for the treatment of bacterial biofilms due to their resistance to traditional drugs. Photodynamic therapy (PDT) is a new strategy that has been used to combat bacteria and biofilms. Cationic photosensitizers, particularly cationic photodynamic nanoagents, are usually chosen to enhance photodynamic antimicrobial activity. However, positively charged nanoparticles (NPs) are beneficial to cellular internalization, which causes increased cell cytotoxicity. Herein, a pH‐sensitive photodynamic nanosystem is designed. Rose Bengal (RB) polydopamine (PDA) NPs are decorated in a layer‐by‐layer fashion with polymyxin B (PMB) and gluconic acid (GA) to generate functionally adaptive NPs (RB@PMB@GA NPs). RB@PMB@GA NPs remain negative at physiological pH and exhibit good biocompatibility. When RB@PMB@GA NPs are exposed to an acidic infectious environment, the surface charge of the NPs is, in turn, positively charged as a result of pH‐sensitive electrostatic interactions. This surface charge conversion allows the RB@PMB@GA to effectively bind to the surfaces of bacteria and enhance photoinactivation efficiency against gram‐negative bacteria. Most importantly, RB@PMB@GA NPs exhibit good biofilm penetration and eradication under acidic conditions. Furthermore, RB@PMB@GA NPs efficiently eliminate biofilm infections in vivo. This study provides a promising strategy for safely treating biofilm‐associated infections in vivo.
Effects of implants with steroids after endoscopic sinus surgery: A systematic review with meta‐analysis of randomized controlled trials
Authors: Kao Yi‐Lin , Huang Yi‐Chen , Tsai Shao‐Chen , Lai Ming‐Tang , Kang Yi‐No 
Published: June 2021

AbstractBackgroundChronic rhinosinusitis affects approximately 5%−2% of the general population worldwide. Steroid implants after endoscopic sinus surgery (ESS) have drawn considerable interest for their cost savings, but relevant guidelines indicate that evidence on this topic is of low quality with high heterogeneity. The purpose of this study was to examine the efficacy of steroid implants after ESS by synthesizing relevant randomized controlled trials (RCTs).MethodsTwo authors independently assessed the eligibility of potential references from five biomedical databases. They further extracted relevant data from the included studies, including (a) mean, standard deviation, or standard error for Lund–Kennedy endoscopic (LKE) score and Perioperative Sinus Endoscopy (POSE) score and (b) events and sample sizes of each group for further intervention. Data were pooled in a random‐effects model, and results were presented as the weighted mean difference (WMD) or risk ratio (RR) with 95% confidence interval (CI) and I2.ResultsEleven RCTs (n = 853) were included and showed that the steroid implant group had lower LKE scores (WMD, ‐1.19; 95% CI, ‐1.75 to ‐0.62; I2 = 0%) and POSE scores (WMD, ‐1.62; 95% CI, ‐2.47 to ‐0.76; I2 = 48%) than the placebo implant group at postoperative week 2. Moreover, the reoperation rate in the steroid implant group was also lower than in the placebo implant group (RR, 0.49; 95% CI, 0.30 to 0.80; I2 = 0%). However, no significant difference was observed in the postoperative oral steroid requirement between both groups.ConclusionsCollectively, steroid implant decreases LKE and POSE among patients receiving ESS in the short term, but long‐term effects remain unclear. Patient‐based outcomes are worth further discussion in the future.
Real‐Time NMR Monitoring of Spatially Segregated Enzymatic Reactions in Multilayered Hydrogel Assemblies**
Authors: Nordin Nurdiana , Bordonali Lorenzo , Davoodi Hossein , Ratnawati Novindi Dwi , Gygli Gudrun , Korvink Jan G. , Badilita Vlad , MacKinnon Neil 
Published: June 2021

AbstractCompartmentalized chemical reactions at the microscale are important in biotechnology, yet monitoring the molecular content at these small scales is challenging. To address this challenge, we integrate a compact, reconfigurable reaction cell featuring electrochemical functionality with high‐resolution NMR spectroscopy. We demonstrate the operation of this system by monitoring the activity of enzymes immobilized in chemically distinct layers within a multi‐layered chitosan hydrogel assembly. As a benchmark, we observed the parallel activities of urease (Urs), catalase (Cat), and glucose oxidase (GOx) by monitoring reagent and product concentrations in real‐time. Simultaneous monitoring of an independent enzymatic process (Urs) together with a cooperative process (GOx + Cat) was achieved, with chemical conversion modulation of the GOx + Cat process demonstrated by varying the order in which the hydrogel was assembled.
Methane‐to‐Methanol on Mononuclear Copper(II) Sites Supported on Al2O3: Structure of Active Sites from Electron Paramagnetic Resonance**
Authors: Meyet Jordan , Ashuiev Anton , Noh Gina , Newton Mark A. , Klose Daniel , Searles Keith , van Bavel Alexander P. , Horton Andrew D. , Jeschke Gunnar , van Bokhoven Jeroen A. , Copéret Christophe 
Published: June 2021

AbstractThe selective conversion of methane to methanol remains one of the holy grails of chemistry, where Cu‐exchanged zeolites have been shown promote this reaction under stepwise conditions. Over the years, several active sites have been proposed, ranging from mono‐, di‐ to trimeric CuII. Herein, we report the formation of well‐dispersed monomeric CuIIspecies supported on alumina using surface organometallic chemistry and their reactivity towards the selective and stepwise conversion of methane to methanol. Extensive studies using various transition alumina supports combined with spectroscopic characterization, in particular electron paramagnetic resonance (EPR), show that the active sites are associated with specific facets, which are typically found in γ‐ and η‐alumina phase, and that their EPR signature can be attributed to species having a tri‐coordinated [(Al2O)CuIIO(OH)]−T‐shape geometry. Overall, the selective conversion of methane to methanol, a two‐electron process, involves two monomeric CuIIsites that play in concert.
Effect of ketal group in castor oil acid‐based plasticizer on the properties of poly(vinyl chloride)
Authors: Zhu Huichao , Yang Jianjun , Wu Mingyuan , Wu Qingyun , Liu Jiuyi , Zhang Jianan 
Published: June 2021

AbstractTwo castor oil acid esters containing a ketal or ketone group (KCL or CL), as alternative plasticizers for poly(vinyl chloride) (PVC), were prepared. The structures were confirmed by1H NMR and FTIR spectroscopies. The effects of the presence of a ketal or ketone group in these compounds on PVC plasticization were examined. The DMA and SEM results showed that both plasticizers were miscible with PVC and exhibited excellent plasticizing properties, compared to those of dioctyl phthalate (DOP). The PVC plasticized by KCL displayed a lowerTgvalue of 20.6°C, which was lower than that of PVC plasticized with DOP (22.3°C) and PVC plasticized with CL (40.5°C). Tensile tests indicated that PVC plasticized using KCL showed a 37% higher of elongation at break than PVC plasticized by CL and 30% higher than PVC plasticized by DOP. The plasticizing mechanism was also investigated. Moreover, exudation, volatility, and extraction tests, along with TGA indicated that the presence of ketal groups effectively improved the migration resistance of plasticizer and the thermal stability of PVC blends. Taken together, introducing ketal groups into plasticizer might be an effective strategy for improving its plasticizing efficiency.
Microfluidic cultivation and analysis of productive biofilms
Authors: Lemke Phillip , Zoheir Ahmed E. , Rabe Kersten S. , Niemeyer Christof M. 
Published: June 2021

AbstractWe here report the application of a machine‐based microfluidic biofilm cultivation and analysis platform for studying the performance of biocatalytically active biofilms. By using robotic sampling, we succeeded in spatially resolving the productivity of three microfluidic reactors containing biocatalytically active biofilms that inducibly overexpress recombinant enzymes. Escherichia coli biofilms expressing two stereoselective oxidoreductases, the (R)‐selective alcohol dehydrogenase LbADH and the (S)‐selective ketoreductase Gre2p, as well as the phenolic acid decarboxylase EsPAD were used. The excellent reproducibility of the cultivation and analysis methods observed for all three systems underlines the usefulness of the new technical platform for the investigation of biofilms. In addition, we demonstrated that the analytical platform also opens up new opportunities to perform in‐depth spatially resolved studies on the biomass growth in a reactor channel and its biochemical productivity. Since the platform not only offers the detailed biochemical characterization but also broad capabilities for the morphological study of living biofilms, we believe that our approach can also be performed on many other natural and artificial biofilms to systematically investigate a wide range of process parameters in a highly parallel manner using miniaturized model systems, thus advancing the harnessing of microbial communities for technical purposes.
Strategies and challenges with the microbial conversion of methanol to high‐value chemicals
Authors: Zhan Chunjun , Li Xiaowei , Yang Yankun , Nielsen Jens , Bai Zhonghu , Chen Yun 
Published: June 2021

AbstractAs alternatives to traditional fermentation substrates, methanol (CH3OH), carbon dioxide (CO2) and methane (CH4) represent promising one‐carbon (C1) sources that are readily available at low‐cost and share similar metabolic pathway. Of these C1 compounds, methanol is used as a carbon and energy source by native methylotrophs, and can be obtained from CO2 and CH4 by chemical catalysis. Therefore, constructing and rewiring methanol utilization pathways may enable the use of one‐carbon sources for microbial fermentations. Recent bioengineering efforts have shown that both native and nonnative methylotrophic organisms can be engineered to convert methanol, together with other carbon sources, into biofuels and other commodity chemicals. However, many challenges remain and must be overcome before industrial‐scale bioprocessing can be established using these engineered cell refineries. Here, we provide a comprehensive summary and comparison of methanol metabolic pathways from different methylotrophs, followed by a review of recent progress in engineering methanol metabolic pathways in vitro and in vivo to produce chemicals. We discuss the major challenges associated with establishing efficient methanol metabolic pathways in microbial cells, and propose improved designs for future engineering.
Digital technology and circular economy practices: An strategy to improve organizational performance
Authors: Khan Syed Abdul Rehman , Zia‐ul‐haq Hafiz Muhammad , Umar Muhammad , Yu Zhang 
Published: June 2021

AbstractAmid rising environmental concerns, advanced technology, including Blockchain technology (BCT) are transforming circular economy (CE) practices and prevailing business models. Recognize the same, the current study examines the role of BCT in CE practices; and their impact on organizational performance. The study collects data from 239 enterprises that are located in Malaysian territories. By employing PLS‐SEM modeling framework, the study provides two key findings. First, BCT significantly improves the CE practices (circular procurement, circular design, recycling, and remanufacturing). Second, CE practices help to increase organizational performance. This study set‐out the foundations for participating countries/firms, that help to simultaneously achieve financial and sustainable goals through the integration of BCT in their business for betterment.
Proton‐Coupled Electron Transfer (PCET) with 1,4‐Bisguanidino‐Benzene Derivatives: Comparative Study and Use in Acid‐Initiated C‐H Activation
Authors: Walter Petra , Hübner Olaf , Kaifer Elisabeth , Himmel Hans‐Jörg 
Published: June 2021

AbstractProton‐coupled electron transfer (PCET) is of key importance in modern synthetic chemistry. Redox‐active guanidines were established by our group as valuable alternatives to toxic high‐potential benzoquinones in a variety of different PCET reactions. In this work, the PCET reactivity of a series of 1,4‐bisguanidino‐benzenes varying in their redox potentials and proton affinities is evaluated. The relevant redox and protonation states are fully characterized, and the compounds sorted with respect to their PCET reactivity by comparative PCET experiments supplemented by quantum‐chemical calculations. Depending on the studied reactions, the driving force is either electron transfer or proton transfer; thereby the influence of both processes on the overall reactivity could be assessed. Then, two of the PCET reagents are applied in representative oxidative aryl‐aryl coupling reactions, namely the intramolecular coupling of 3,3’’‐4,4’’‐tetramethoxy‐o‐terphenyl to give the corresponding triphenylene, the intermolecular coupling of N‐ethylcarbazole to give N,N’‐diethyl‐3,3’‐bicarbazole, and in the oxidative lactonization of 2‐[(4‐methoxyphenyl)methyl]‐benzoic acid. Under mild conditions, the reactions proceed fast and efficient. Only small amounts of acid are needed, in clear contrast to the corresponding coupling reactions with traditional high‐potential benzoquinones such as DDQ or chloranil requiring a large excess of a strong acid.
Synthesis of Chiral Propargylamines, Chiral 1,2‐Dihydronaphtho[2,1‐b]furans and Naphtho[2,1‐b]furans with C‐Alkynyl N,N′‐di‐(tert‐butoxycarbonyl)‐aminals and β‐Naphthols
Authors: Man Ningning , Li Yuming , Jie Jiyang , Li Hongyun , Yang Haijun , Zhao Yufen , Fu Hua 
Published: June 2021

AbstractChiral phosphoric acid‐catalyzed couplings of C‐alkynyl N,N′‐di‐(tert‐butoxycarbonyl)‐aminals with β‐naphthols led to chiral propargylamines in moderate to high yields with high to excellent enantioselectivity, in which the reactions underwent sequential chiral phosphoric acid‐catalyzed in situ formation of N‐(tert‐butoxycarbonyl)‐imines (N‐Boc‐imines) from the aminals, and 1,2‐addition of β‐naphthols to the N‐Boc‐imines. Chiral 1,2‐dihydronaphtho[2,1‐b]furans and naphtho[2,1‐b]furans were prepared with satisfactory results when 10 mol% AgOAc and 20 mol% 2,6‐lutidine or 1.2 equiv. of 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) were added to the resulting chiral propargylamines solution, respectively.
A novel key performance indicator oriented process monitoring method based on multiple information extraction and support vector data description
Authors: Zhang Xueyi , Ma Liang , Peng Kaixiang 
Published: June 2021

AbstractAs a core part of modern chemical plants, key performance indicator oriented process monitoring and fault diagnosis systems have gradually made great contributions to guaranteeing process safety, improving product quality, and ensuring system reliability, which recently have received extensive attention and become one of the hot spots both in academic research and industrial application fields. Different from previous methods, a novel key performance indicator oriented process monitoring method is proposed in this paper, which fully mines and utilizes important time feature information hidden in the process data while considering the local process information. Firstly, a group of representative process variables with maximum key performance indicator information are selected by the maximal information coefficient algorithm, and local information is extracted. Then, observed value, accumulated error, and change rate information are further extracted from the representative process variables and expanded into multiple information blocks, which contain both local process and hidden time feature information. After that, the support vector data description model is established to monitor each information block, and the Bayesian inference is employed to fuse the final monitoring results to obtain a new monitoring index. Finally, the performance and effectiveness of the proposed method is validated by conducting a simulation on Tennessee Eastman process.