bluuebunny/crossref_metadata_2025_split huggingface dataset:
Geometric and Electronic Structural Engineering of Isolated Ni Single Atoms for a Highly Efficient CO2 Electroreduction
Authors: Song Inae , Eom Yaeeun , P Muthu Austeria , Hong Da Hye , Balamurugan Mani , Boppella Ramireddy , Kim Do Hwan , Kim Tae Kyu 
Published: April 2023

AbstractTuning the coordination environment and geometric structures of single atom catalysts is an effective approach for regulating the reaction mechanism and maximize the catalytic efficiency of single‐atom centers. Here, a template‐based synthesis strategy is proposed for the synthesis of high‐density NiNx sites anchored on the surface of hierarchically porous nitrogen‐doped carbon nanofibers (Ni‐HPNCFs) with different coordination environments. First‐principles calculations and advanced characterization techniques demonstrate that the single Ni atom is strongly coordinated with both pyrrolic and pyridinic N dopants, and that the predominant sites are stabilized by NiN3 sites. This dual engineering strategy increases the number of active sites and utilization efficiency of each single atom as well as boosts the intrinsic activity of each active site on a single‐atom scale. Notably, the Ni‐HPNCF catalyst achieves a high CO Faradaic efficiency (FECO) of 97% at a potential of −0.7 V, a high CO partial current density (jCO) of 49.6 mA cm−2 (−1.0 V), and a remarkable turnover frequency of 24 900 h−1 (−1.0 V) for CO2 reduction reactions (CO2RR). Density functional theory calculations show that compared to pyridinic‐type NiNx, the pyrrolic‐type NiN3 moieties display a superior CO2RR activity over hydrogen evolution reactions, resulting in their superior catalytic activity and selectivity.
Engineering the Surface Chemistry and Morphology of Polymeric Carbon Nitrides Towards Greener Heterogeneous Catalysts for Biodiesel Synthesis
Authors: de Medeiros Tayline V. , Macina Alexia , Bicalho Hudson A. , Naccache Rafik 
Published: April 2023

AbstractBiodiesel remains one of the most promising alternatives to replace fossil fuel‐derived petrodiesel. Nonetheless, conventional biodiesel synthesis relies on homogeneous alkali‐based catalysts that involve long and tedious purification steps , increasing biodiesel production costs. Heterogeneous catalysts have emerged as promising alternatives to circumvent these drawbacks, as they can easily be recovered and reused. Herein, polymeric carbon nitride dots and nanosheets are synthesized through a solid‐phase reaction between urea and sodium citrate. Their morphology and surface chemistry are tuned by varying the precursor's ratio, and the materials are investigated as catalysts in the transesterification reaction of canola oil to biodiesel. A conversion of > 98% is achieved using a 5 wt% catalyst loading, oil to methanol ratio of 1:36 at 90 °C for 4 h, with the performance maintained over at least five reuse cycles. In addition, the effect of the transesterification reaction parameters on the reaction kinetics is evaluated, which follows a pseudo‐first‐order (PFO) regime. Combined with a deep understanding of the catalyst's surface, these results have allowed us to propose a reaction mechanism similar to the one observed for homogenous alkali catalysts. These carbon nitride‐based nanoparticles offer a metal‐free and cost‐effective alternative to conventional homogeneous and metal‐based heterogeneous catalysts.
Nanotechnology Approaches for Prevention and Treatment of Chemotherapy‐Induced Neurotoxicity, Neuropathy, and Cardiomyopathy in Breast and Ovarian Cancer Survivors
Authors: Nevins Sarah , McLoughlin Callan D. , Oliveros Alfredo , Stein Joshua B. , Rashid Mohammad Abdur , Hou Yannan , Jang Mi‐Hyeon , Lee Ki‐Bum 
Published: April 2023

AbstractNanotechnology has emerged as a promising approach for the targeted delivery of therapeutic agents while improving their efficacy and safety. As a result, nanomaterial development for the selective targeting of cancers, with the possibility of treating off‐target, detrimental sequelae caused by chemotherapy, is an important area of research. Breast and ovarian cancer are among the most common cancer types in women, and chemotherapy is an essential treatment modality for these diseases. However, chemotherapy‐induced neurotoxicity, neuropathy, and cardiomyopathy are common side effects that can affect breast and ovarian cancer survivors quality of life. Therefore, there is an urgent need to develop effective prevention and treatment strategies for these adverse effects. Nanoparticles (NPs) have extreme potential for enhancing therapeutic efficacy but require continued research to elucidate beneficial interventions for women cancer survivors. In short, nanotechnology‐based approaches have emerged as promising strategies for preventing and treating chemotherapy‐induced neurotoxicity, neuropathy, and cardiomyopathy. NP‐based drug delivery systems and therapeutics have shown potential for reducing the side effects of chemotherapeutics while improving drug efficacy. In this article, the latest nanotechnology approaches and their potential for the prevention and treatment of chemotherapy‐induced neurotoxicity, neuropathy, and cardiomyopathy in breast and ovarian cancer survivors are discussed.
Software medical device maintenance: DevOps based approach for problem and modification management
Authors: Martina Maria Raffaella , Bianchini Elisabetta , Sinceri Sara , Francesconi Martina , Gemignani Vincenzo 
Published: April 2023

AbstractSoftware problem resolution and change control processes are crucial for the performance, safety, and regulatory clearance of a medical device. Software changes are frequent throughout the whole life cycle of a product; therefore, iterative analysis and risk assessment are necessary to determine the impact of changes on the whole system. IEC standard 62304 clarifies software medical device life cycle processes including problem and modification analysis and requirements. The aim of this work is to describe a cost‐effective and fully customizable solution for software medical devices problem and modification management implemented in our group. Key features of the problem and modification management related to the software life cycle have been identified and taken into account. A digital commercial platform for software development and maintenance has been identified and used to implement an architecture satisfying the standard. The architecture solution (SWMA, software maintenance architecture) has been successfully developed and a description of how it addresses IEC 62304 standard requirements both in terms of problem resolution and in terms of change control has been provided. The presented system can be useful for manufacturers/groups to establish software maintenance plans that include activities and tasks related to software problem resolution and change control processes. The approach can be adopted for analyzing and resolving problems arising before and after the release of a medical device.
Machine learning confirms new records of maniraptoran theropods in Middle JurassicUKmicrovertebrate faunas
Authors: Wills Simon , Underwood Charlie J. , Barrett Paul M. 
Published: April 2023

AbstractCurrent research suggests that the initial radiation of maniraptoran theropods occurred in the Middle Jurassic, although their fossil record is known almost exclusively from the Cretaceous. However, fossils of Jurassic maniraptorans are scarce, usually consisting solely of isolated teeth, and their identifications are often disputed. Here, we apply different machine learning models, in conjunction with morphological comparisons, to a suite of isolated theropod teeth from Bathonian microvertebrate sites in the UK to determine whether any of these can be confidently assigned to Maniraptora. We generated three independent models developed on a training dataset with a wide range of theropod taxa and broad geographical and temporal coverage. Classification of the Middle Jurassic teeth in our sample against these models and comparison of the morphology indicates the presence of at least three distinct dromaeosaur morphotypes, plus a therizinosaur and troodontid in these assemblages. These new referrals significantly extend the ranges of Therizinosauroidea and Troodontidae by some 27 myr. These results indicate that not only were maniraptorans present in the Middle Jurassic, as predicted by previous phylogenetic analyses, but they had already radiated into a diverse fauna that pre‐dated the break‐up of Pangaea. This study also demonstrates the power of machine learning to provide quantitative assessments of isolated teeth in providing a robust, testable framework for taxonomic identifications, and highlights the importance of assessing and including evidence from microvertebrate sites in faunal and evolutionary analyses.
Modeling, simulation, and trade‐off analysis for multirobot, multioperator surveillance
Authors: Humann James , Fletcher TaLena , Gerdes John 
Published: April 2023

AbstractAs unmanned vehicles become smaller and more autonomous, it is becoming feasible to use them in large groups with comparatively few human operators. Design and analysis of such distributed systems are complicated by the many interactions among agents and phenomena of human behavior. In particular, human susceptibility to fatigue and cognitive overload can introduce errors and uncertainty into the system. In this paper, we demonstrate how advanced computational tools can help to overcome these engineering difficulties by optimizing multirobot, multioperator surveillance systems for cost, speed, accuracy, and stealth according to diverse user preferences in multiple case studies. The tool developed is a graphical user interface that returns the optimal number and mix of diverse agent types as a function of the user's trade‐off preferences. System performance prediction relies on a multiagent simulation with submodels for human operators, fixed‐wing unmanned aerial vehicles (UAVs), quadrotor UAVs, and flapping wing UAVs combined in different numbers.
Development of Electrophilic Radical Perfluoroalkylation of Electron‐Deficient Olefins
Authors: Tagami Koto , Yajima Tomoko 
Published: April 2023

AbstractFluorinated organic compounds have attracted significant attention over the past few decades owing to their unique properties and versatility. An established method for the synthesis of fluorinated organic compounds involves radical perfluoroalkylation reactions towards double bonds. In this radical pathway, electrophilic perfluoroalkyl radicals exhibit excellent reactivity towards electron‐rich olefins. Therefore, several splendid perfluoroalkylation reactions of electron‐rich olefins have been reported. However, there are only a few examples of reaction involving electron‐deficient olefins because of their poor electronic compatibility with perfluoroalkyl radicals. This review focuses on the reports that challenge this long‐standing issue. Radical perfluoroalkylation/bifunctionalization reactions of electron‐deficient olefins are described according to the radical generation methods.
Asymmetric Organocatalyzed Intermolecular Functionalization of Cyclohexanone‐Derived Dienones
Authors: Coutant Corinne , De Bonfils Paul , Nun Pierrick , Coeffard Vincent 
Published: April 2023

AbstractOver the past decades, the advent of asymmetric organocatalysis has changed the way chemists think about creating or breaking chemical bonds, enabling new enantioselective strategies for functionalized molecules. The success of asymmetric organocatalysis is notably based on the existence of various activation modes, leading to countless transformations, and on the vast array of available chiral organic catalysts. Breakthroughs in this area have also been driven by selective functionalization of compounds with multiple activation sites such as cyclohexanone‐derived dienones. These platforms can undergo diverse transformations such as Michael addition, Friedel‐Crafts alkylation or Diels‐Alder cycloaddition that offer new opportunities for reaching natural products and biologically relevant compounds. Amongst cyclohexanone‐derived dienones, the 2,5‐cyclohexadienone motif has received a great deal of attention due to its reactivity pattern and recently, (cross)‐conjugated cyclohexanone‐derived substrates have also been considered. In this review, we discuss the intermolecular functionalization of (cross)‐conjugated cyclohexanone‐derived compounds employing asymmetric organocatalysis.
Development of Stable Carbanionic Substituents
Authors: Yanai Hikaru 
Published: April 2023

AbstractDuring the past decade, carbon (C−H) acids depicted as ‘Tf2CHR’ (Tf=CF3SO2) have attracted considerable attention as a new class of superacidic molecules, which show stronger acidity than sulfuric acid molecules. In recent years, the author has developed a synthetic methodology for such strong acids and has opened the door to chemistry of highly stabilised carbanions [Tf2CR]−, which are the conjugate bases of the carbon acids. These carbanion‐containing salts are stable and easy‐to‐handle species. Our efforts have revealed that the ionic but lipophilic characters of this type of carbanion can be used as a unique ‘substituent’ for increasing both the water solubility and the lipophilicity of organic compounds. This Personal Account provides an overview of our [Tf2CR]− chemistry, including its synthesis, structure, reactivity, and applications.
Uncovering the metabolomic effects of Kampo formulas using 1H‐NMR spectroscopy: A case study of goreisan
Authors: Awale Suresh , Jo Michiko , Watanabe Shiro , Shibahara Naotoshi , Matsumoto Kinzo 
Published: April 2023

AbstractAimThe purpose of this study was to explore the effects of goreisan (GRS) on rats through the analysis of 1H‐NMR of urine samples, to assess the variations in metabolites affected by GRS, and to gain a new metabolomic understanding of the effects of Kampo medicine.MethodsMale Wistar rats were randomly divided into two groups: a control group that was fed a standard diet, and a GRS group that was fed a 1% GRS diet. The study was conducted over a four‐week period. At the end of the experiment, urine samples were analyzed using 1H‐NMR spectroscopy to evaluate the metabolic changes induced by GRS administration. Additionally, various blood parameters were also analyzed.ResultsAdministration of GRS resulted in an elevation of lactate, acetate, and other metabolites, such as trimethylamine‐N‐oxide and hippurate, in urine. Additionally, there was a significant decrease in the blood urea nitrogen (BUN) level in the blood of the GRS‐treated group.ConclusionThis study has highlighted the substantial changes in lactate, acetate, and other urine metabolites caused by GRS. The findings demonstrate the effectiveness of 1H‐NMR spectroscopy in assessing metabolic alterations in response to the therapeutic application of a Kampo formula. This research contributes to the knowledge of mechanisms of action from a metabolomic point of view and offers fresh insights into the effects of complex Kampo formulas such as GRS, using 1H‐NMR spectroscopic techniques.
Maintenance of UK bread baking quality: Trends in wheat quality traits over 50 years of breeding and potential for future application of genomic‐assisted selection
Authors: Fradgley Nick S. , Bentley Alison R. , Gardner Keith A. , Swarbreck Stéphanie M. , Kerton Matt 
Published: April 2023

AbstractImproved selection of wheat varieties with high end‐use quality contributes to sustainable food systems by ensuring productive crops are suitable for human consumption end‐uses. Here, we investigated the genetic control and genomic prediction of milling and baking quality traits in a panel of 379 historic and elite, high‐quality UK bread wheat (Triticum eastivum L.) varieties and breeding lines. Analysis of the panel showed that genetic diversity has not declined over recent decades of selective breeding while phenotypic analysis found a clear trend of increased loaf baking quality of modern milling wheats despite declining grain protein content. Genome‐wide association analysis identified 24 quantitative trait loci (QTL) across all quality traits, many of which had pleiotropic effects. Changes in the frequency of positive alleles of QTL over recent decades reflected trends in trait variation and reveal where progress has historically been made for improved baking quality traits. It also demonstrates opportunities for marker‐assisted selection for traits such as Hagberg falling number and specific weight that do not appear to have been improved by recent decades of phenotypic selection. We demonstrate that applying genomic prediction in a commercial wheat breeding program for expensive late‐stage loaf baking quality traits outperforms phenotypic selection based on early‐stage predictive quality traits. Finally, trait‐assisted genomic prediction combining both phenotypic and genomic selection enabled slightly higher prediction accuracy, but genomic prediction alone was the most cost‐effective selection strategy considering genotyping and phenotyping costs per sample.
Imaging in gynecological disease (26): clinical and ultrasound characteristics of benign retroperitoneal pelvic peripheral‐nerve‐sheath tumors
Authors: Fischerova D. , Santos G. , Wong L. , Yulzari V. , Bennett R. J. , Dundr P. , Burgetova A. , Barsa P. , Szabó G. , Sousa N. , Scovazzi U. , Cibula D. 
Published: April 2023

ABSTRACTObjectiveTo describe the clinical and sonographic characteristics of benign, retroperitoneal, pelvic peripheral‐nerve‐sheath tumors (PNSTs).MethodsThis was a retrospective study of patients with a benign, retroperitoneal, pelvic PNST who had undergone preoperative ultrasound examination at a single gynecologic oncology center between 1 January 2018 and 31 August 2022. All ultrasound images, videoclips and final histological specimens of benign PNSTs were reviewed side‐by‐side in order to: describe the ultrasound appearance of the tumors, using the terminology of the International Ovarian Tumor Analysis (IOTA), Morphological Uterus Sonographic Assessment (MUSA) and Vulvar International Tumor Analysis (VITA) groups, following a predefined ultrasound assessment form; describe their origin in relation to nerves and pelvic anatomy; and assess the association between their ultrasound features and histotopography. A review of the literature reporting benign, retroperitoneal, pelvic PNSTs with preoperative ultrasound examination was performed.ResultsFive women (mean age, 53 years) with a benign, retroperitoneal, pelvic PNST were identified, four with a schwannoma and one with a neurofibroma, of which all were sporadic and solitary. All patients had good‐quality ultrasound images and videoclips and final biopsy of surgically excised tumors, except one patient managed conservatively who had only a core needle biopsy. In all cases, the findings were incidental. The five PNSTs ranged in maximum diameter from 31 to 50 mm. All five PNSTs were solid, moderately vascular tumors, with non‐uniform echogenicity, well‐circumscribed by hyperechogenic epineurium and with no acoustic shadowing. Most of the masses were round (n = 4 (80%)), and contained small, irregular, anechoic, cystic areas (n = 3 (60%)) and hyperechogenic foci (n = 5 (100%)). In the woman with a schwannoma in whom surgery was not performed, follow‐up over a 3‐year period showed minimal growth (1.5 mm/year) of the mass. We also summarize the findings of 47 cases of benign retroperitoneal schwannoma and neurofibroma identified in a literature search.ConclusionsOn ultrasound examination, no imaging characteristics differentiate reliably between benign schwannomas and neurofibromas. Moreover, benign PNSTs show some similar features to malignant retroperitoneal tumors. They are solid lesions with intralesional blood vessels and show degenerative changes such as cystic areas and hyperechogenic foci. Therefore, ultrasound‐guided biopsy may play a pivotal role in their diagnosis. If confirmed to be benign PNSTs, these tumors can be managed conservatively, with ultrasound surveillance. © 2023 The Authors. Ultrasound in Obstetrics & Gynecology published by John Wiley & Sons Ltd on behalf of International Society of Ultrasound in Obstetrics and Gynecology.
Drug information sources in professional work—a questionnaire study on physicians’ usage and preferences (the drug information study)
Authors: Seidel Pia , Rolander Bo , Eriksson Anna L. , Lindahl Ulf , Wallerstedt Susanna M. , Hägg Staffan , Kling Anders 
Published: April 2023

Abstract
Purpose
This study aimed to explore physicians’ use of drug information in professional work, with special focus on those working in primary care, and also in relation to personal characteristics of physicians.

Methods
A web-based questionnaire was distributed by e-mail to physicians in five regions in Sweden. The questions concerned drug-related queries at issue when searching for information, sources used, and factors of importance for the choice of source, as well as responder characteristics.

Results
A total of 3254 (85%) out of 3814 responding physicians stated that they searched for drug information every week. For physicians working in primary health care, the corresponding number was 585 (96%). The most common drug-related issues searched for by 76% of physicians every week concerned pharmacotherapeutic aspects (e.g., dosing), followed by adverse drug reactions (63%). For 3349 (88%) physicians, credibility was the most important factor for the choice of sources of drug information, followed by easy access online (n = 3127, 82%). Further analyses among physicians in primary care showed that some personal characteristics, like seniority, sex, and country of education, as well as research experience, were associated with usage and preferences of drug information sources.

Conclusions
This study confirms that physicians often use drug information sources in professional work, in particular those who work in primary health care. Credibility and easy access are key factors for usage. Among physicians in primary care, personal factors influenced the choice of drug information sources.