bluuebunny/crossref_metadata_2025_split huggingface dataset:
Personalized prediction of overall survival in patients with AML in non‐complete remission undergoing allo‐HCT
Authors: Hirabayashi Shigeki , Uozumi Ryuji , Kondo Tadakazu , Arai Yasuyuki , Kawata Takahito , Uchida Naoyuki , Marumo Atsushi , Ikegame Kazuhiro , Fukuda Takahiro , Eto Tetsuya , Tanaka Masatsugu , Wake Atsushi , Kanda Junya , Kimura Takafumi , Tabuchi Ken , Ichinohe Tatsuo , Atsuta Yoshiko , Yanada Masamitsu , Yano Shingo 
Published: June 2021

AbstractAllogenic hematopoietic stem cell transplantation (allo‐HCT) is the standard treatment for acute myeloid leukemia (AML) in non‐complete remission (non‐CR); however, the prognosis is inconsistent. This study aimed to develop and validate nomograms and a web application to predict the overall survival (OS) of patients with non‐CR AML undergoing allo‐HCT (cord blood transplantation [CBT], bone marrow transplantation [BMT], and peripheral blood stem cell transplantation [PBSCT]). Data from 3052 patients were analyzed to construct and validate the prognostic models. The common significant prognostic factors among patients undergoing allo‐HCT were age, performance status, percentage of peripheral blasts, cytogenetic risk, chemotherapy response, and number of transplantations. The conditioning regimen was a significant prognostic factor only in patients undergoing CBT. Compared with cyclophosphamide/total body irradiation, a conditioning regimen of ≥3 drugs, including fludarabine, with CBT exhibited the lowest hazard ratio for mortality (0.384; 95% CI, 0.266–0.554; p < 0.0001). A conditioning regimen of ≥3 drugs with CBT also showed the best leukemia‐free survival among all conditioning regimens. Based on the results of the multivariable analysis, we developed prognostic models showing adequate calibration and discrimination (the c‐indices for CBT, BMT, and PBSCT were 0.648, 0.600, and 0.658, respectively). Our prognostic models can help in assessing individual risks and designing future clinical studies. Furthermore, our study indicates the effectiveness of multi‐drug conditioning regimens in patients undergoing CBT.
Effects of relational capital on relationship between place attachment and resident participation
Authors: Chang Kai‐Chih , Chen Han‐Shen , Hsieh Chi‐Ming 
Published: June 2021

AbstractPlace attachment and public participation are increasingly important to sustainable community development and environmental protection, and influence the degree to which residents value community development. Unfortunately, social segregation has broken value consensus in many modern communities, particularly Chinese communities, which traditionally emphasize interpersonal interactions. This has created discrepancies between theory and reality in community development, making it necessary to clarify the influence of relational capital (e.g., trust, identification, and norm of reciprocity) on the relationship between place attachment and resident participation. This study adopted convenience sampling to conduct a case study in Eastern Taiwan. A total of 310 valid samples were collected. The relationships between constructs are determined by a linear structural equation model. Our results show that place attachment and resident participation are positively correlated and that reciprocal norms are important mediators of the influence of place attachment on resident participation. From a practical perspective, this confirms the rationality of community policy and highlights areas for improvement to support ongoing community development.
Advance care planning ahead of life‐altering clinical deterioration in secure settings: Do not wait until a crisis
Authors: Hurlow Adam , Hurlow Jonathan , Neil Wendy , Pullinger Alice 
Published: June 2021

AbstractAll professionals involved in someone’s care should be equipped to support individuals, and the people close to them, to understand how their health is likely to change, consider the burdens and likely outcomes of treatment options and make realistic, informed recommendations to guide future care. This can be particularly challenging in forensic mental health, when it covers cardiopulmonary resuscitation alongside recommendations about acute hospital admission and medical escalation within and outside of hospital settings. Some clinicians question whether or not the harms of raising the spectre of invasive ventilation and potential mortality risks unnecessary anxiety and psychological harm amongst detained patients. Instead, we argue that timely advance care and treatment escalation planning with each patient, informed by psychiatric clinicians, is long overdue.
Real‐time intravascular ultrasound guidance: A novel technique for accurate placement of ostial stents
Authors: Harding Scott A. , Webber Bruce , Fairley Sarah , Ormiston John A. 
Published: June 2021

AbstractObjectivesTo describe a novel technique for ostial stent placement using real‐time IVUS guidance.BackgroundAccurate placement of coronary stents at ostial locations is challenging with the true ostium frequently being missed increasing the risk of adverse events. We have developed a novel technique for ostial stent placement and report our benchtop testing and initial clinical experience.MethodsBenchtop testing was performed to validate the appearance of the stent and delivery system on IVUS. Benchtop testing of real‐time IVUS guided ostial stent positioning was carried out in a left main bifurcation phantom. Real‐time IVUS guidance of stent placement in aorto‐ostial, ostial left anterior descending (LAD), or ostial circumflex lesions was assessed in a prospective registry.ResultsBench model IVUS demonstrated clear differences between the appearances of the stent and other components of the delivery system. Positioning of 10 consecutive stents into the ostial LAD using real‐time IVUS guidance was assessed in a left main bifurcation model. Median distance from proximal stent edge to LAD ostium was 0.39 mm (interquartile range 0.31 to 0.73). Real‐time IVUS guidance of ostial stent placement was performed in 50 patients (51 lesions). Angiographic success was 100%. IVUS post‐stenting demonstrated median distance from the proximal stent edge to the ostium was 0.2 mm (interquartile range 0.1 to 0.5 mm). There was one periprocedural myocardial infarction but no other major adverse cardiac events at 30‐days.ConclusionsWe have developed a novel technique using real‐time IVUS guidance allowing accurate ostial stent placement.
Well‐Dispersed Ru‐Clusters Decorating Nanobox‐Structured CoP Synergistically Catalyze the NaBH4 Hydrolysis and Electro‐Reductive H2 Evolution
Authors: Dou Shasha , Hu Chuan , Shi Luyan , Zhang Wanyu , Zhou Shuqing , Yan Puxuan , D'Souza Lawrence , Isimjan Tayirjan Taylor , Yang Xiulin 
Published: June 2021

AbstractThe high‐efficiency multifunctional materials have considerable significance in the area of sustainable energy to developing a cross‐usable and low‐cost catalyst. Nevertheless, substantial challenges are ahead on designing and synthesizing a high performance in a scalable and straightforward manner. Here, we have developed a novel bifunctional catalyst based on Ru/CoP nanoboxes (NBs) prepared using ZIF‐67 as a precursor. The nano hollow box structure and the strong electronic interaction between Ru clusters and CoP component are confirmed. The Ru/CoP NBs as a catalyst show excellent activities for catalytic NaBH4 hydrolysis such as high turnover frequency (1202.2 min−1), and small electrocatalytic H2 evolution overpotential (49 mV@10 mA cm−2) under ambient conditions. Besides, Ru/CoP NBs also display good stability and reusability. The excellent catalytic performance of Ru/CoP NBs is attributed to the synergy between Ru clusters and CoP species as well as the unique morphology that accelerates charge transfer, provides higher active surface area, and facilitates solute transport and gas emission.
Shaping the Electrocatalytic Performance of Metal Complexes for CO2 Reduction
Authors: Gotico Philipp , Leibl Winfried , Halime Zakaria , Aukauloo Ally 
Published: June 2021

AbstractThe mass scale catalytic transformation of carbon dioxide (CO2) into reduced forms of carbon is an imperative to address the ever‐increasing anthropogenic emission. Understanding the mechanistic routes leading to the multi‐electron‐proton conversion of CO2 provides handles for chemists to overcome the kinetically and thermodynamically hard challenges and further optimize these processes. Through extensive electrochemical investigations, Prof. J.‐M. Savéant and coworkers have made invaluable electro‐analytical tools accessible to chemists to address and position the electrocatalytic performance of molecular catalysts grounded on a theoretical basis. Furthermore, he has bequeathed lessons to future generations on ways to improve the catalytic activity and the electrocatalytic zone we must target. As a tribute to his accomplishments, we recall here a few aspects on the tuning of iron porphyrin catalysts by playing on electronic effects, proton delivery, hydrogen bonding and electrostatic interactions and its implications to other catalytic systems.
Bimetal Phthalocyanine‐Modified Carbon Nanotube‐Based Bifunctional Catalysts for Zinc‐Air Batteries
Authors: Kumar Yogesh , Kibena‐Põldsepp Elo , Kozlova Jekaterina , Kikas Arvo , Käärik Maike , Aruväli Jaan , Kisand Vambola , Leis Jaan , Tamm Aile , Tammeveski Kaido 
Published: June 2021

AbstractA series of non‐precious bifunctional electrocatalysts composed of first‐row transition metal phthalocyanine (MPc, M=Mn, Ni, Co) modified multi‐walled carbon nanotubes (CNTs) was prepared and examined for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in alkaline media. The use of MPc in carbon matrix is attractive due to the formation of M‐Nx sites, which are responsible for ORR electrocatalysis and transition metal oxides that are OER‐active. Physical characterisation of the prepared catalysts was carried out by scanning electron microscopy/energy dispersive X‐ray spectroscopy, scanning transmission electron microscopy, N2 physisorption analysis, X‐ray diffraction and X‐ray photoelectron spectroscopy. The highest ORR activity among bimetallic catalysts was shown by a MnCoN‐CNT catalyst with half‐wave potential of 0.84 V. The electrochemical results of the prepared bimetallic catalysts revealed superior OER activity of NiCoN‐CNT with EOER of 1.61 V at 10 mA cm−2 and also good ORR activity (E1/2=0.83 V). Furthermore, NiCoN‐CNT exhibited excellent stability for both, ORR and OER, with only 5 mV change in half‐wave potential and only 14 mV loss in EOER, respectively. For checking bifunctionality, the NiCoN‐CNT catalyst was used as an air electrode and tested for zinc‐air battery (ZAB). Good ZAB performance was obtained, with open circuit voltage (OCV) of 1.338 V.
In‐plane Defect Engineering Enabling Ultra‐stable Graphene Paper‐based Hosts for Lithium Metal Anodes
Authors: Li Gang , Xu Shiwei , Li Bin , Yin Maoshu , Shao Feng , Li Hong , Xia Tong , Yang Zhi , Su Yanjie , Zhang Yafei , Ma Jie , Yu Jian , Hu Nantao 
Published: June 2021

AbstractGraphene papers are widely studied as stable hosts to suppress lithium dendrite growth and accommodate the volumetric expansion for lithium metal anodes. Designing and constructing flexible graphene‐based films with unique structures as stable hosts in large scales for lithium metal anodes is challenging in terms of their realistic applications. Herein, scalable three‐dimensional (3D) holey reduced graphene oxide (HrGO) films with abundant as‐tailored oxygen functional groups on hole defects of graphene nanosheets are successfully constructed as stable hosts for lithium metal anodes. The as‐designed anodes deliver a stable voltage of 11 mV for 1900 h at a current density of 0.2 mA cm−2. The achieved cycling times of the optimized Li‐HrGO‐4 film anodes are over 1000 and 800 h at current densities of 0.5 and 1.0 mA cm−2, respectively. Simultaneously, the Li‐HrGO‐4 composite film anodes also exhibit superior rate performance as compared to pure lithium and Li‐rGO film anodes when utilized in symmetric cells. The as‐assembled LiFePO4/Li‐HrGO‐4 full cells show superior rate performance and retain capacity after 300 cycles at the rate of 1 C. Furthermore, first‐principles calculations indicate that C−O and O−C=O groups on defects of HrGO surfaces lead to excellent lithium affinity and uniform deposition. Above all, the unique 3D holey structure with as‐tailored oxygen defects and its design strategy holds a significant potential for the development of high energy‐dense and stable metal batteries.
Structure and Dynamics of Energy Materials from Machine Learning Simulations: A Topical Review†
Authors: Guan Shu‐Hui , Shang Cheng , Liu Zhi‐Pan 
Published: June 2021

AbstractEnergy materials featuring the capability to store and release chemical energy reversibly involve generally complex geometrical structures with multiple elements. It has been a great challenge to establish the quantitative relationship between the structure of materials and their dynamic physicochemical properties. In recent years, machine learning (ML) technique has demonstrated its great power in accelerating the research on energy materials. This topical review introduces the key ingredients and typical applications of ML to energy materials. We mainly focus on the ML based atomic simulation via ML potentials in different architectures/implementations, including high dimensional neural networks (HDNN), Gaussian approximation potential (GAP), moment tensor potentials (MTP) and stochastic surface walking global optimization with global neural network potential (SSW‐NN) method. Three cases studies, namely, Si, LiC and LiTiO systems, are presented to demonstrate the ability of ML simulation in assessing the thermodynamics and kinetics of complex material systems. We highlight that the SSW‐NN method provides an automated solution for global potential energy surface data collection, ML potential construction and ML simulation, which boosts the current ability for large‐scale atomic simulation and thus holds the great promise for fast property evaluation and material discovery.
Confined Electrochemiluminescence at Microtube Electrode Ensembles for Local Sensing of Single Cells†
Authors: Ding Hao , Guo Weiliang , Ding Lurong , Su Bin 
Published: June 2021

Main observation and conclusionChemical analysis of single cells plays essential roles in both fundamental research and clinical applications. In this work, the electrochemiluminescence (ECL) generated at vertically aligned gold microtube electrode ensembles (MEEs) was applied for the local chemical sensing of single cells. Thanks to the structure of MEEs and the surface‐confined nature of ECL generation, the ECL is confined in single microtubes and the local variations of hydrogen peroxide concentration can be revealed by the changes of ECL signals at single MEEs. With this methodology, we studied the hydrogen peroxide efflux from single living cells, showing the subcellular heterogeneity in hydrogen peroxide release. With sufficient spatial resolution for the parallel single cell sensing as well as advantages including easy preparation and high throughput, the MEEs provide a promising platform for subcellular electroanalysis.
DigiNet: Prediction of Assamese handwritten digits using convolutional neural network
Authors: Dutta Prarthana , Muppalaneni Naresh Babu 
Published: June 2021

SummaryNumerous work focusing on Indian Languages for automatically recognizing characters has been witnessed in literature in the last few decades. But it was observed that only a handful of them targeted the optical character recognition of the Assamese language despite the language being widely spoken and used in many official works and activities across North‐East India. The limited contribution in this field seems to be inadequate and insufficient in their ability to recognize the handwritten characters due to dissimilarity in the people's writing style. This has motivated us to device a computational model for automatic recognition of the handwritten Assamese digits belonging to 10 different classes of 0 to 9. This study employs a convolutional neural network model (DigiNet) to learn and understand the various styles of handwritten digits. Our model exercises the convolutional neural network composed of six alternative Convolution and Pooling layers and is able to attain state‐of‐the‐art performance on the Assamese handwritten digits, achieving a test accuracy of which is a pretty good success. The proficiency of the model architecture is also tested on the MNIST and the Bangla handwritten numeral datasets. Furthermore, our proposed model is compared with the pre‐trained VGG 19 architecture, where the performance of our model was better compared to the pre‐trained model on the Assamese as well as the Bangla handwritten numerals.
Hybrid Harris Hawk‐Salp swarm optimization algorithm‐based integrated optimal data placement and task scheduling for improving the user experience in edge computing
Authors: Vivekanandan Nivethitha , Gnanasekaran Aghila 
Published: June 2021

SummaryEdge computing permits the computation process at the edge of the network for enhancing the efficiency of the data access. The problem of optimal data block placement entirely depends on the maximization of interdependent factors, which corresponds to an NP‐hard problem. In this paper, the Hybrid Harris Hawk‐Salp Swarm‐based Optimization, Data Placement and Task Scheduling (HHHSS‐ODPTS) scheme is proposed for improving the user experience in edge computing. This data placement is devised considering the popularity and user preference of data blocks, storage capacity of edge server, and the ratio of replacement associated with the edge servers. This proposed scheme utilized a 2/3‐approximation method for essential mapping of tasks with generated containers of the edge server. The simulation results confirmed that the proposed HHHSS‐ODPTS scheme is better at data response time, response time of tasks, number of the replaced data blocks, and hit rate of tasks with different capacity of data storage, number of required data blocks, and data popularity.
Determination of the “Privileged Structure” of 8‐Hydroxyquinoline
Authors: McNaughton Donald , Wachsmuth Dennis , Kraus Peter , Herbers Sven , Wang Juan , Grabow Jens‐Uwe 
Published: June 2021

AbstractAn accurate semi‐experimental equilibrium structure of 8‐hydroxyquinoline (8‐HQ) has been determined combining experiment and theory. The cm‐wave rotational spectrum of 8‐HQ was recorded in a pulsed supersonic jet using broadband dual‐path reflection and narrowband Fabry‐Perot‐type resonator Fourier‐transform microwave spectrometers. Accurate rotational and quartic centrifugal distortion constants and 14N quadrupole coupling constants are determined. Rotational constants of all 13C, 18O and 15N singly substituted isotopologues in natural abundance and those of a chemically synthesized OD isotopologue were used to obtain geometric parameters for all the heavy atoms and the hydroxyl hydrogen from a number of structure determination models. Theoretical approaches allowed for the determination of a semi‐experimental equilibrium structure,
in which computed rovibrational and electronic corrections were utilized to convert vibrational ground state constants into equilibrium constants. Despite the molecule having only a horizontal plane of symmetry and possessing 11 individual heavy atoms, microwave spectroscopy has allowed for a reliable and accurate structure determination. A mass dependent,
structure was determined and proved to be equally reliable by comparison with the B3LYP‐D3(BJ)/aVTZ equilibrium structure.
Crystal Phase Effects on the Gas‐Phase Ketonization of Small Carboxylic Acids over TiO2 Catalysts
Authors: Fufachev Egor V. , Weckhuysen Bert M. , Bruijnincx Pieter C. A. 
Published: June 2021

AbstractInvited for this month′s cover is the group of Pieter Bruijnincx from Utrecht University. The image shows an imaginary police line‐up of two molecules suspected to be involved as intermediates in the catalytic ketonization reaction. Based on the evidence collected, depicted on the pinboard on the wall, the scientist discusses the impact of all this with somebody interested in catalysis that converts waste, wastewater‐derived volatile fatty acids in this case, to value‐added circular chemicals. The Full Paper itself is available at 10.1002/cssc.202100721.
Palladium Nanoparticles Hardwired in Carbon Nanoreactors Enable Continually Increasing Electrocatalytic Activity During the Hydrogen Evolution Reaction
Authors: Aygün Mehtap , Guillen‐Soler Melanie , Vila‐Fungueiriño Jose M. , Kurtoglu Abdullah , Chamberlain Thomas W. , Khlobystov Andrei N. , del Carmen Gimenez‐Lopez Maria 
Published: June 2021

AbstractCatalysts typically lose effectiveness during operation, with much effort invested in stabilising active metal centres to prolong their functional lifetime for as long as possible. In this study palladium nanoparticles (PdNP) supported inside hollow graphitised carbon nanofibers (GNF), designated as PdNP@GNF, opposed this trend. PdNP@GNF exhibited continuously increasing activity over 30000 reaction cycles when used as an electrocatalyst in the hydrogen evolution reaction (HER). The activity of PdNP@GNF, expressed as the exchange current density, was always higher than activated carbon (Pd/C), and after 10000 cycles PdNP@GNF surpassed the activity of platinum on carbon (Pt/C). The extraordinary durability and self‐improving behaviour of PdNP@GNF was solely related the unique nature of the location of the palladium nanoparticles, that is, at the graphitic step‐edges within the GNF. Transmission electron microscopy imaging combined with spectroscopic analysis revealed an orchestrated series of reactions occurring at the graphitic step‐edges during electrocatalytic cycling, in which some of the curved graphitic surfaces opened up to form a stack of graphene layers bonding directly with Pd atoms through Pd−C bonds. This resulted in the active metal centres becoming effectively hardwired into the electrically conducting nanoreactors (GNF), enabling facile charge transport to/from the catalytic centres resulting in the dramatic self‐improving characteristics of the electrocatalyst.
An innovative interleaved high step‐up direct current–direct current converter with switched‐inductor/capacitor–diode units for hydrogen fuel cell power system
Authors: Tang Juntao , Qi Zhidong , Shan Liang , Ye Weiqin , Zhao Caohui 
Published: June 2021

SummaryAs a kind of new energy power generation technology in the 21st century, hydrogen fuel cell plays an indispensable role in energy network. However, due to its characteristics of low output voltage and large fluctuation, direct current–direct current (DC–DC) converter with high step‐up voltage gain has become a key part for safe and stable operation of fuel cell. In this paper, by replacing the inductors on the input side of interleaved boost converter with switched‐inductor units (small current ripple) and adding a capacitor–diode unit with strong voltage multiplication to the output side, an innovative interleaved high step‐up DC–DC converter is proposed with high step‐up voltage gain, small inductor current, and low voltage/current stresses. In addition, working principle, steady‐state performance, device parameter design, and theoretical efficiency calculation for the entire duty cycle range (duty cycle D < 0.5 and D > 0.5) are carried out, respectively, to verify its validity and feasibility. Finally, a 150‐W experimental prototype of fuel cell front‐stage power conversion is established. When the input voltage and output current are 16 V and 1.25 A, respectively, the efficiency of the entire system can reach about 92.6%.