bluuebunny/crossref_metadata_2025_split huggingface dataset:
Probable posttransplant lymphoproliferative disorder after pediatric living donor liver transplantation: Is a biopsy still needed?
Authors: Matsumura Muneyuki , Miyagi Shigehito , Tokodai Kazuaki , Kashiwadate Toshiaki , Fujio Atsushi , Miyazawa Koji , Sasaki Kengo , Saito Yoshikatsu , Kanai Norifumi , Unno Michiaki , Kamei Takashi 
Published: November 2022

AbstractPosttransplant lymphoproliferative disorder (PTLD) is a complication of solid organ transplantation and is associated with Epstein‐Barr virus (EBV). Recently, EBV‐related PTLD was defined as probable PTLD or proven PTLD. Probable PTLD involves significant lymphadenopathy, hepatosplenomegaly, or other end‐organ manifestations, without a histological diagnosis, together with significant EBV DNAemia. Proven PTLD is the detection of EBV‐encoded proteins in a tissue specimen, together with symptoms and/or signs originating from the affected organ. Probable PTLD after pediatric liver transplantation has not been well documented. Therefore, here, we aimed to describe cases of five pediatric patients with probable PTLD after liver transplantation, who were successfully treated with preemptive immunosuppression reduction with or without rituximab. All five patients (age range, 1–4 years; two girls and three boys) had EBV DNAemia. Three patients developed probable PTLD within 12 months of transplantation. Further, three patients had a significantly high EBV viral load, but the other two patients with lymphadenopathy and end‐organ manifestation had a relatively low EBV viral load. Early onset pediatric PTLD with significant EBV DNAemia is almost universally EBV‐related. Biopsy was not performed in any patient due to the relative inaccessibility of the lesion and young age of the patients. If the patient’s symptoms are too mild, if excisional biopsy is too difficult to perform, or if the patient is too sick to undergo an invasive procedure, initiating preemptive treatment without a histological diagnosis could be the treatment option.
Challenges in Elucidating the Free Energy Scheme of the Laccase Catalyzed Reduction of Oxygen
Authors: den Boer Daan , de Heer Hendrik C. , Buda Francesco , Hetterscheid Dennis G. H. 
Published: November 2022

AbstractArtificial redox catalysts are typically limited by unfavorable scaling relations of reaction intermediates leading to a significant overpotential in multi‐electron redox reactions such as for example the oxygen reduction reaction (ORR). The multicopper oxidase laccase is able to catalyze the ORR in nature. In particular the high‐potential variants show a remarkably low overpotential for the ORR and apparently do not suffer from such unfavorable scaling relations. Although laccases are intensively studied, it is presently unknown why the overpotential for ORR is so low and a clear description regarding the thermodynamics of the catalytic cycle and the underlying design principles is lacking. In order to understand the laccase catalyzed ORR from an electrochemical perspective, elucidation of the free energy scheme would be of high value. This article reviews the energetics of the proposed laccase catalyzed ORR mechanisms based on experimental and computational studies. However, there are still remaining challenges to overcome to elucidate the free energy scheme of laccase. Obtaining thermodynamic data on intermediates is hard or even impossible with analytical techniques. On the other hand, several computational studies have been performed with significantly different parameters and conditions, thus making a direct comparison difficult. For these reasons, a consensus on a clear free energy scheme is still lacking. We anticipate that ultimately conquering these challenges will result in a better understanding of laccase catalyzed ORR and will allow for the design of low overpotential redox catalysts.
Evolving a P450BM3 Peroxygenase for the Production of Indigoid Dyes from Indoles
Authors: Kong Fanhui , Chen Jie , Qin Xiangquan , Liu Chuanfei , Jiang Yiping , Ma Li , Xu Huifang , Li Shengying , Cong Zhiqi 
Published: November 2022

AbstractHerein, we describe an environmentally benign enzymatic approach for the preparation of indigoid from indole derivatives. A series of beneficial P450BM3 mutants were obtained using a stepwise approach involving site‐directed, random, and combinatory hot‐site mutations. Using H2O2 as the terminal oxidant and N‐(ω‐imidazolyl)‐hexanoyl‐L‐phenylalanine as a co‐catalyst, the quadruple‐mutant F87G/T268V/F77I/E140D efficiently catalyzed the 3‐hydroxylation of indole and subsequent autooxidation to indigo with higher efficiency than the flavin‐containing monooxygenase, PTDH‐mFMO, which was the best oxidizing enzyme for indigo synthesis reported to date. Following this procedure, 12 indigoid compounds were prepared using indole derivatives with various substituents as starting materials with moderate to high isolated yields (31.3–79.5 %). The catalytic efficiencies (kcat/Km) of the beneficial mutants for typical indole substrates ranged from 182–2849 mM−1 ⋅ min−1, almost 2‐ to 712‐fold higher than those of the reported P450 enzymes. This study provides a new enzymatic approach for the biosynthesis of indigoid dyes from indole derivatives.
Hierarchical Porous Carbon Anchored Atomic/Clustered Cobalt for Boosting Oxygen Reduction Electrocatalysis
Authors: Lyu Xiao , Gu Xiang , Li Gen , Chen Hao , Hou Huijie , Hu Jingping 
Published: November 2022

AbstractHierarchical porous carbon with highly active sites has emerged as an ideal support for high‐performance oxygen reduction reaction (ORR) electrocatalysts. By tuning the geometric size and coordination environment of transition metals on hierarchical porous carbon to optimize the catalytic performance for ORR, cobalt (Co) single atoms and Co nanoclusters were synthesized respectively on N‐doping and vacancy‐defective hierarchical porous carbon. Benefited from the high surface area and enhanced mass transfer, cobalt nanoclusters on nitrogen doped hierarchical porous carbon shows a high four‐electron selectivity for ORR. It presents a half wave potential of 0.854 V vs. RHE, which is comparable to that of commercial Pt/C catalysts (0.852 V vs. RHE). Meanwhile, the single‐atomic cobalt coordinated with vacancy‐defective carbon favors the two‐electron reduction of O2 to hydrogen peroxide (H2O2). It exhibits an apparent promotion on selectivity of two‐electron route with a high H2O2 selectivity of around 90 %. This work demonstrates that hierarchical porous carbons could be effectively tuned for applications that favors either four‐electron or two‐electron ORR pathway.
Categorization of Sprays by Image Analysis with Convolutional Neuronal Networks
Authors: Pieloth Damian , Rodeck Matthias , Schaldach Gerhard , Thommes Markus 
Published: November 2022

AbstractSpray characterization has been an issue for process and product characterization for decades. Because of this, a convolutional neuronal network was developed to determine the droplet size from spray images. The images were taken using a digital camera, a light source, and a dark room. These were subsequently employed to design and train a convolutional neuronal network using open‐source software packages and a desktop computer. The accuracy of the network droplet size determinations was checked with additional, independent images. The median drop size was assessed with a high accuracy of more than 99.8 % as the mean spray performance indicator. Additionally, the droplet size distribution measurements from the neural network method deviated from those from the reference method (laser diffraction) by less than 1.5 %. Convolutional neuronal networks can be applied to determine the spray performance using spray cone images. This approach could be useful for multiple applications.
Unveiling the Metal Incorporation Effect of Steady‐Active FeP Hydrogen Evolution Nanocatalysts for Water Electrolyzer
Authors: Wang Yongsheng , Wang Xinyu , Wei Hailong , Huang Junling , Yin Likun , Zhu Wei , Zhuang Zhongbin 
Published: November 2022

AbstractMetal phosphides are promising noble metal‐free electrocatalysts for hydrogen evolution reaction (HER), but they usually suffer from inferior stability and thus are far from the device applications. We reported a facile and controllable synthetic method to prepare metal‐incorporated M‐FeP nanoparticles (M=Cr, Mn, Co, Fe, Ni, Cu, and Mo) with the guide of the density functional theory (DFT). The evaluated HER activity sequence was consistent with the DFT predictions, and cobalt was revealed to be the appropriate dopant. With the optimization of the Co/Fe ratio, the Fe0.67Co0.33P/C only required overpotentials of 67 mV and 129 mV to obtain the cathodic current density of 10 and 100 mA cm−2, respectively. It maintained the initial activity in the 10 h stability test, surpassing the other Co‐FeP/C catalysts. Ex situ experiments demonstrated that the decreased element leaching and the increased surface phosphide content contributed to the high stability of the Fe0.67Co0.33P/C. A proton exchange membrane water electrolyzer was assembled using the Fe0.67Co0.33P/C as the cathodic catalyst. It showed a current density of 0.8 A cm−2 at the applied voltage of 2.0 V and retained the initial activity in the 1000 cycles’ stability test, suggesting the potential application of the catalysts.
Rhodium‐Catalyzed Transannulation of 1,2,3‐Thiazoles with Alkynes for the Direct Synthesis of Thiochromenones
Authors: Pan Jun , Zhang Ziyao , Chen Lili , Jiao Ning 
Published: November 2022

Comprehensive SummaryA rhodium‐catalyzed denitrogenative carbonylation of 1,2,3‐thiadiazole with alkynes to construct (benzo)thiochromenones is developed. Both terminal and internal alkynes were compatible in this [3+2+1] cycloaddition, affording a broad range of poly‐substituted thiochromenones. Unsymmetrical alkyne substrates exhibited good regioselectivity. It is noteworthy that the present strategy could be used to construct both monocyclic and benzo‐thiochromenones, and it is a novel example of denitrogenative transannulation with CO insertion.
Population Pharmacokinetics of Oral Migalastat in Adolescents and Adults With and Without Renal Impairment
Authors: Leonowens Cathrine , Schmith Virginia , Zhou Jie , Wu Yi Shuan , Ivaturi Vijay , Johnson Franklin K. 
Published: November 2022

AbstractMigalastat is approved for the treatment of Fabry disease (FD) with amenable variants. Objectives were to characterize effects of estimated glomerular filtration rate (eGFR) on oral clearance (CL), predict doses in mild to moderate renal impairment and in pediatric patients with FD, and to improve designs of FD studies. A 2‐compartment model was fit to data from 260 subjects with/without FD and iteratively refined with evolving data. FD, eGFR, and weight affected CL, while weight and FD affected volume. Optimal sampling theory was used to choose pharmacokinetic sampling times for pediatric studies. Doses in patients with renal impairment and in pediatrics were determined by targeting exposure in adults receiving migalastat 123 mg every other day. A clinical study was conducted in 20 adolescent patients with FD ≥45 kg. eGFR had the largest effect on CL. Simulations showed that exposures in moderate renal impairment were within phase 2–3 exposures; patients aged 2–17 years require weight‐based dosing; and predicted exposures in adolescent patients ≥45 kg receiving migalastat 123 mg every other day were similar to adults (data confirmed in a clinical study). Model‐informed drug development optimized dosing and design of clinical studies and supported that no dose adjustments were needed in patients with mild to moderate renal impairment or in adolescent patients ≥45 kg.
A predictive vampire attack detection by social spider optimized Gaussian mixture model clustering
Authors: Juneja Vikas , Dinkar Shail Kumar 
Published: November 2022

SummaryA sensor node carries out a specific function in a wireless sensor network. Wireless sensor networks are less bearable but more vital to the industry and the people because of threats. As a result, a node's battery life will be drastically reduced, and the node will be rendered completely inoperable, which is the most extreme form of denial of service attack. A vampire attack, one of the denials of service attacks, may inflict extensive harm to the network, making it harder to detect and using more energy than necessary. This article has proposed a novel vampire attack detection and prevention by the energy consumption prediction in the data path with the least error as low as . In combination with the social spider optimized Gaussian mixture model, the gray prediction model is used to detect and prevent the attack. The energy prediction scheme calculates a cooperative trust score and is categorized by the optimized Gaussian mixture model. The algorithm is validated with recent state‐of‐the‐art schemes and the detection accuracy improvement of up to 35.27% is achieved.
Plasmonic Biosensing with Nano‐Engineered Van der Waals Interfaces
Authors: Jiang Li , Kong Kien Voon , He Sailing , Yong Ken‐Tye 
Published: November 2022

AbstractObserving a Goos‐Hänchen (GH) shift of the incident light beam provides a simple and convenient method of detecting fast phase variations without the need for cumbersome direct phase measurements. Here, we show that few‐monolayers‐thick van der Waals structures (WS2, MoSe2 and graphene) nano‐engineered onto a plasmonic surface can enhance the phase variation sensitivity to analyte presence, leading to more than 3 orders of magnitude increase in the Goos‐Hänchen shift (ca. 886 mm/RIU for a WS2/graphene/Au multilayer). The detection limit is evaluated to be as low as 0.1 aM (6.7 pg/mL) for bovine serum albumin protein with molecular weight of 67 kDa and 1 fM (24.4 ng/mL) for biotin (244 Da) molecules.
Recent Advances in Organic Room Temperature Phosphorescence of Triphenylamine‐Based Doping Systems
Authors: Li Gengchen , Dai Wenbo , Lei Yunxiang , Shi Jianbing , Tong Bin , Cai Zhengxu , Dong Yuping 
Published: November 2022

AbstractThe host–guest doping strategy has become one of the most effective approaches to realize pure organic room temperature phosphorescence (RTP). Crystalline small molecules can provide a rigid environment that restricts the molecular motion of luminescent guests, thus enhancing phosphorescence emission. Triphenylamine (TPA) is a classic crystalline small molecule matrix that, when doped with designed guest molecules, enables tunable RTP properties and diverse functionalities. These properties afford TPA‐based doping systems with numerous applications in anticounterfeiting, bio‐imaging, and multiple responsive sensing. In this concept, design strategies, luminescence mechanisms, and applications of TPA‐based host‐guest doping systems are summarized. Moreover, the future prospects of TPA‐based RTP materials are proposed.
Bionic Construction of Helical Bi2O3 Microfibers for Highly Efficient CO2 Electroreduction
Authors: Ning Hui , Wang Yani , Fei Xiang , Wang Xiaoshan , Jin Xin , Zou Yecheng , Ma Chang , Jiao Zhenmei , Zhao Yan , Wu Mingbo 
Published: November 2022

AbstractHelical Bi2O3 microfibers (HBM) were prepared with the assistance of cotton template through a simple heating treatment in air. This twisted structure induced the lattice strains, enriched the oxygen vacancies of Bi2O3, and promoted the sufficient exposure of active sites simultaneously, thus performing outstanding activity and selectivity as catalyst for CO2 electroreduction to formate. The faradaic efficiency (FE) of formate reached 100.4±1.9 % at −0.90 V vs. reversible hydrogen electrode (RHE) in an H‐cell, and the partial current density was boosted to 226 mA cm−2 with FEformate of 96 % at −1.08 V vs. RHE in a flow cell. This work may open a new era for construction of metal oxide fibers by bionic strategy as high‐performance electrocatalysts.
Not Just Another Methanation Catalyst: Depleted Uranium Meets Nickel for a High‐Performing Process Under Autothermal Regime
Authors: Truong‐Phuoc Lai , Nhut Jean‐Mario , Sall Secou , Tuci Giulia , Rossin Andrea , Papaefthimiou Vasiliki , Duong‐Viet Cuong , Petit Corinne , Arab Mehdi , Jourdan Alex , Vidal Loic , Giambastiani Giuliano , Pham‐Huu Cuong 
Published: November 2022

AbstractNi‐based catalysts prepared through impregnation of depleted uranium oxides (DU) have successfully been employed as highly efficient, selective, and durable systems for CO2 hydrogenation to substituted natural gas (SNG; CH4) under an autothermal regime. The thermo‐physical properties of DU and the unique electronic structure of f‐block metal‐oxides combined with a nickel active phase, generated an ideal catalytic assembly for turning waste energy back into useful energy for catalysis. In particular, Ni/UOx stood out for the capacity of DU matrix to control the extra heat (hot‐spots) generated at its surface by the highly exothermic methanation process. At odds with the benchmark Ni/γ‐Al2O3 catalyst, the double action played by DU as a “thermal mass” and “dopant” for the nickel active phase unveiled the unique performance of Ni/UOx composites as CO2 methanation catalysts. The ability of the weakly radioactive ceramic (UOx) to harvest waste heat for more useful purposes was demonstrated in practice within a rare example of a highly effective and long‐term methanation operated under autothermal regime (i. e., without any external heating source). This finding is an unprecedented example that allows a real step‐forward in the intensification of “low‐temperature” methanation with an effective reduction of energy wastes. At the same time, the proposed catalytic technology can be regarded as an original approach to recycle and bring to a second life a less‐severe nuclear by‐product (DU), providing a valuable alternative to its more costly long‐term storage or controlled disposal.
High Open‐Circuit Voltage Cs2AgBiBr6 Carbon‐Based Perovskite Solar Cells via Green Processing of Ultrasonic Spray‐Coated Carbon Electrodes from Waste Tire Sources
Authors: Schmitz Fabian , Lago Nicolò , Fagiolari Lucia , Burkhart Julian , Cester Andrea , Polo Andrea , Prato Mirko , Meneghesso Gaudenzio , Gross Silvia , Bella Federico , Lamberti Francesco , Gatti Teresa 
Published: November 2022

AbstractInvited for this month cover is the group of Teresa Gatti at the Justus Liebig University (JLU) in Giessen, Germany, the group of Federico Bella at Politecnico di Torino (POLITO), Italy, and the group of Francesco Lamberti at the University of Padova (UNIPD), also in Italy. The image shows how waste tires can be converted in a conductive carbon powder that undergoes a green processing step to produce carbon electrodes for lead‐free perovskite solar cells. Similar devices can be employed to harvest indoor light in order to power the Internet of Things (IoT) ecosystem. The Research Article itself is available at 10.1002/cssc.202201590.
Tuning the Electro‐Optical Properties of Mixed‐Halide Trityl Radicals Bearing para‐Brominated Positions through Halogen Substitution
Authors: Mesto Davide , Dai Yasi , Dibenedetto Carlo N. , Punzi Angela , Krajčovič Jozef , Striccoli Marinella , Negri Fabrizia , Blasi Davide 
Published: November 2022

AbstractIn this work, the synthesis and characterization of two new trityl radicals bearing two p‐brominated positions, i. e. the 2,2′‐((perchlorophenyl)methylene)bis(1,3,5‐tribromobenzene) radical and the 6,6′‐((perchlorophenyl)methylene)bis(3‐bromo‐1,2,4,5‐tetrafluorobenzene) radical, are presented. Slightly modifying the strategy typically used for the synthesis of non‐symmetric mixed‐halide trityl radicals, we were able to considerably increase the reaction yield for the radical precursors. In addition, for the first time the electro‐optical properties of a highly fluorinated trityl radical were studied, achieving the most blue‐shifted emission for a trityl radical reported up to now. Quantum‐chemical calculations carried out to supplement the experimental investigation support the electrochemical and spectroscopic data as well as rationalize the observed blue shift of the highly fluorinated species.
Expeditious and Stereoselective Synthesis of (1S)‐Spiro[pyran‐4‐quinolines]
Authors: Chen Po‐Yen , Chiang Yi‐Ting , Hsieh Min‐Tsang , Hseu You‐Cheng , Lin Chun‐Hung , Lin Hui‐Chang 
Published: November 2022

AbstractSpiro[pyran‐4‐quinolines] were synthesized in two steps from exo‐glycals. The first step involved the double additions of aniline (or substituted anilines) to produce C,N‐glycosides. The next step was to eliminate the anomeric N‐aryl group by formation of benzophenone‐derived imine, followed by in situ intramolecular Friedel−Crafts alkylation. The resulting (1S)‐spiro[pyran‐4‐quinolines] were obtained in 60–72 % overall yields with exclusive (from the reactions of exo‐galactals) or high stereoselectivity (from those of exo‐glucals with m‐substituted anilines), respectively. Additionally, exo‐galactals were found suitable to perform the two steps consecutively in one‐pot at 75 °C.
A novel interference signal superposition algorithm for providing secrecy to subcarrier number modulation‐based orthogonal frequency division multiplexing systems
Authors: Kırık Muhammet , Hamamreh Jehad M. 
Published: November 2022

AbstractOrthogonal Frequency Division Multiplexing with Subcarrier Number Modulation (OFDM‐SNM) is a transmission scheme that aims to convey additional data bits by exploiting the number of active subcarriers. Even though OFDM‐SNM creates many advantages, such as low bit error rate (BER), high spectral efficiency, and high reliability, it suffers from the security vulnerabilities against eavesdroppers and malicious wire‐tappers. The reason why OFDM‐SNM is vulnerable against security threats is that the nature of subcarrier number‐based additional data transmission differs from the conventional data modulation techniques, which makes the existing physical layer security (PLS) applications to be inapplicable for OFDM‐SNM. Therefore, novel PLS techniques must be developed for OFDM‐SNM to secure the data that is transmitted by exploiting the number of subcarriers. In this paper, a novel interference signal superposition security algorithm for OFDM‐SNM is proposed at the physical level to overcome its security vulnerabilities. The proposed security application aims to provide the data secrecy by embedding an artificial interference signal into the data that are meant to be conveyed by the active subcarriers. This artificial interference signal is created by exploiting the channel state information of the legitimate user, and deliberately included into the transmitted data to create a confusion for those who try to infiltrate the communication system, such as eavesdroppers or malicious wire‐tappers. In this paper, the transmission of data for both the legitimate user and eavesdropper is operated by M‐ary PSK/QAM modulation over a Rayleigh fading channel. The theoretical calculations and simulation results prove that the proposed security application for OFDM‐SNM is a strong candidate to provide the security requirements of such cases in future wireless networks, where providing data secrecy is among the top priorities.