bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation of the impact of AXL, TLR3, and STAT2 in congenital Zika syndrome through genetic polymorphisms and protein–protein interaction network analyses
Authors: Gomes Julia A. , Sgarioni Eduarda , Boquett Juliano A. , Kowalski Thayne W. , Fraga Lucas R. , Terças‐Trettel Ana Cláudia P. , da Silva Juliana H. , Ribeiro Bethânia F. R. , Galera Marcial F. , de Oliveira Thalita M. , Carvalho de Andrade Maria Denise F. , Carvalho Isabella F. , Schüler‐Faccini Lavínia , Vianna Fernanda S. L. 
Published: August 2023

AbstractIntroductionZika virus (ZIKV) is a human teratogen that causes congenital Zika syndrome (CZS). AXL, TLR3, and STAT2 are proteins involved in the ZIKV's entry into cells (AXL) and host's immune response (TLR3 and STAT2). In this study, we evaluated the role of genetic polymorphisms in these three genes as risk factors to CZS, and highlighted which proteins that interact with them could be important for ZIKV infection and teratogenesis.Materials and methodsWe evaluate eighty‐eight children exposed to ZIKV during the pregnancy, 40 with CZS and 48 without congenital anomalies. The evaluated polymorphisms in AXL (rs1051008), TLR3 (rs3775291), and STAT2 (rs2066811) were genotyped using TaqMan® Genotyping Assays. A protein–protein interaction network was created in STRING database and analyzed in Cytoscape software.ResultsWe did not find any statistical significant association among the polymorphisms and the occurrence of CZS. Through the analyses of the network composed by AXL, TLR3, STAT2 and their interactions targets, we found that EGFR and SRC could be important proteins for the ZIKV infection and its teratogenesis.ConclusionIn summary, our results demonstrated that the evaluated polymorphisms do not seem to represent risk factors for CZS; however, EGFR and SRC appear to be important proteins that should be investigated in future studies.
Assessment and treatment of stereotypy in infants at risk of autism spectrum disorder
Authors: Scully Morgan , Couger Kathryn , MacDonald Rebecca 
Published: August 2023

AbstractIndividuals diagnosed with autism spectrum disorder (ASD) often engage in stereotypic behavior that is challenging to treat due to difficulties isolating the maintaining reinforcer. The purpose of this study was to identify and treat motor stereotypy in an infant at risk of ASD. Although several studies have investigated the prevalence and topographies of stereotypy in young children, none have identified the age at which it emerges and treated it before 1 year of age. Redirection of stereotypy to toy play and reinforcement for toy engagement was implemented in a multiple baseline design across topographies of stereotypy. Results indicate decreases in all topographies of stereotypy to near‐zero levels across the course of the study. These findings are discussed as they relate to the implications of identifying stereotypy in infancy and intervening as soon as it is identified.
Using enhanced development tools offered by analytical Quality by Design to support switching of a quality control method
Authors: Simeoni Philippe , Deissler Michael , Bienert Roland , Gritsch Manuela , Nerkamp Jörg , Kirsch Stephan , Roesli Christoph , Pohl Thomas , Anderka Oliver , Gellermann Gerald 
Published: August 2023

AbstractQuality by Design (QbD) principles play an increasingly important role in the pharmaceutical industry. Here, we used an analytical QbD (AQbD) approach to develop a capillary electrophoresis sodium dodecyl sulfate under reducing conditions (rCE‐SDS), with the aim of replacing SDS‐polyacrylamide gel electrophoresis (SDS‐PAGE) as release and stability test method for a commercialized monoclonal antibody product. Method development started with defining analytical method performance requirements as part of an analytical target profile, followed by a systematic risk assessment of method input parameters and their relation to defined method outputs. Based on this, design of experiments studies were performed to identify a method operable design region (MODR). The MODR could be leveraged to improve method robustness. In a bridging study, it was demonstrated that the rCE‐SDS method is more sensitive than the legacy SDS‐PAGE method, and a conversion factor could be established to compensate for an off‐set due to the higher sensitivity, without losing the correlation to the historical data acquired with the former method. Overall, systematic application of analytical Quality by Design principles for designing and developing a new analytical method helped to elucidate the complex dependency of method outputs on its input parameters. The link of the method to product quality attributes and the definition of method performance requirements were found to be most relevant for derisking the analytical method switch, regarding impact on the control strategy.
Inside the world of stepsiblings: Linking global production networks to sustainable supply chain management
Authors: Yawar Sadaat Ali , Seuring Stefan 
Published: August 2023

AbstractThe theoretical foundation of (sustainable) supply chain management (SSCM) is an issue of frequent debate. Integrating it with the Global Production Networks (GPN), which is a kind of stepsibling, can help expanding the theoretical foundations of SSCM. The purpose of this paper is to explore how the GPN approach links to SSCM in analysing and explaining interorganizational sustainability. This paper is conceptual. Five central GPN constructs are identified: (1) the emerging supply chain structures and sustainability; (2) the importance and relevance of embeddedness and governance; (3) power dynamics; (4) the stakeholder approach; (5) the sustainability dimensions and the implementation strategies. They are explained in detail and then contrasted with how the related topics are dealt within SSCM. The paper provides insights into the ongoing discussions in GPN and integrates the political economy debate into SSCM research. Findings reveal that GPN offers an alternative and yet complementary explanation about network and cluster formation in supply chains, the effect of embeddedness (geopolitical, social, and cultural) power relationships and governance mechanisms and their role in implementing ecological and social sustainability across the supply chains. The comparison of these complementary disciplines allows for the exchange of ideas between the SSCM and GPN approaches, thereby providing an enriched understanding for managing supply chain sustainability. The selective comparison of the SSCM and GPN constructs is the first of its kind and should trigger further research at this intersection. Five propositions capture core directions for future research.
MitraClip used for severe mitral regurgitation after surgery for type A aortic dissection combined with Marfan syndrome
Authors: Wang Chaojie , Wang Ge , Lu Weihui , Fan Xiaoping 
Published: August 2023

AbstractMitral regurgitation is a rare but catastrophic condition in patients after surgery for type A aortic dissection. The second thoracotomy to complete the mitral valve operation could be fatal. Here, we report a case of severe mitral regurgitation treated with MitraClip in a 53‐year‐old woman after surgery for type A aortic dissection combined with Marfan syndrome. She was discharged uneventfully, and a significant reduction of regurgitation of mitral valve and tricuspid valve was observed at the 6‐month follow‐up. MitraClip could be an alternative device for such high‐risk patients.
Treatment response to Janus kinase inhibitor in a child affected by Aicardi‐Goutières syndrome
Authors: Galli Jessica , Cattalini Marco , Loi Erika , Ferraro Rosalba Monica , Giliani Silvia , Orcesi Simona , Pinelli Lorenzo , Badolato Raffaele , Fazzi Elisa 
Published: August 2023

Key Clinical MessageBaricitinib, a Janus kinase inhibitor (JAK‐inhibitor), seems to contribute to an improvement of a child affected by Aicardi‐Goutières syndrome (AGS), reducing the interferon score and determining a recovery of cognitive, communicative, and relational dysfunctions, while the gross motor deficit persisted.AbstractWe report the treatment response to baricitinib, a JAK‐inhibitor, in a 4‐year‐old girl affected by Aicardi‐Goutières syndrome (AGS2, RNASEH2B mutation). Using quantitative measures, we detected a significant amelioration characterized by a complete recovery of cognitive, communicative, and relational skills after 8 and 16 months from the beginning of therapy.
Metal‐Metal Charge Transfer Properties of a Series of Trinuclear Fe2Ru and Corresponding Pentanuclear Fe2Ru2Ag Cyanido‐Bridged Complexes
Authors: Zeng Chen , Xu Qing‐Dou , Liu Xiao‐Lin , Yang Yu‐Ying , Hu Sheng‐Min , Wu Xin‐Tao , Sheng Tian‐Lu 
Published: August 2023

AbstractA series of trimetallic cyanidometal‐bridged compounds [MenCp(dppe)FeII‐(μ‐NC)‐RuII(MeOpy)4‐(μ‐CN)‐FeII(dppe)CpMen] ‐ [PF6]2 (N[PF6]2, n=0, N =1; n=1, N=2; n=3, N=3; Cp=cyclopentadiene, dppe=1,2‐bis(diphenylphosphino)ethane, MeOpy=4‐methoxypyridine) and their one‐ and two‐electron oxidized compounds N3+ and N4+ were synthesized and characterized. Meanwhile, a series of corresponding linear cyanido‐bridged pentanuclear compounds [MenCp(dppe)FeIII‐(μ‐NC)‐RuII(MeOpy)4‐(μ‐NC)‐AgI‐(μ‐CN)‐RuII(MeOpy)4‐(μ‐CN)‐FeIII(dppe)CpMen][BF4]5 (M[BF4]5, n=0, M=4; n=1, M=5; n=3, M=6) were also obtained and well characterized. The investigations suggest that in the trinuclear system there exists remote interaction between the two Fe centers, but no significant interactions exist across the central silver unit between the metals on the two sides of the silver center in the pentanuclear system. In both the trinuclear N4+ and the pentanuclear M5+ complexes, there exists the neighboring RuII→FeIII MM′CT transitions, and the MM'CT energy in the corresponding trinuclear system is higher than those in the pentanuclear system in which no remote metal‐metal interaction occurs. Meanwhile, as the substituted methyl groups on the cyclopentadiene increases, the redox potential of the ruthenium in the trinuclear N4+ series increases, but that in the pentanuclear M5+ complexes decreases.
Supramolecular Chirogenesis in a Sterically Hindered Porphyrin: A Critical Theoretical Analysis
Authors: Osadchuk Irina , Luts Hanna‐Eliisa , Norvaiša Karolis , Borovkov Victor , Senge Mathias O. 
Published: August 2023

AbstractInvited for the cover of this issue are the groups of Irina Osadchuk at Tallinn University of Technology and Mathias Senge at Trinity College Dublin. The image depicts how a porphyrin with two guest molecules (R)‐camphor sulfonic acid is irradiated with UV‐visible light to measure and simulate ECD and UV‐Vis spectra. Read the full text of the article at 10.1002/chem.202301408.
Carbon Nitride with Single‐Atom Nickel as Co‐Catalyst for Visible‐Light Promoted C—O Coupling†
Authors: Zhao En , Chen Lijie , Zhu Qi , Chen Zhaohui , Wei Yanping , Zhang Wenjun , Dong Lin , Fang Weiwei , Chen Zupeng 
Published: August 2023

Comprehensive SummarySolar‐driven cross‐coupling reactions by dual nickel/photocatalysis under mild conditions have received considerable attention. However, the existing photo/nickel dual catalytic cross‐coupling reactions require the addition of expensive photosensitizers and organic ligands, and the catalytic activity is inadequate. Herein, we report a nickel single‐atom heterogeneous catalyst supported on mesoporous carbon nitride for photocatalytic C—O coupling reaction between 4‐bromobenzonitrile and ethanol, affording 4‐ethoxybenzonitrile in excellent yield compared to a semi‐heterogeneous catalytic system. The catalytic system exhibits a broad substrate scope including ketones, aldehydes, esters, and amides. This work presents a simple and cost‐effective strategy for anchoring metal single atoms onto carbon nitride, providing a new platform for enabling high‐performance photocatalytic production of aryl ether compounds.
Fe‐Based Metal‐Organic Frameworks: From Various Synthesis, Diverse Structures to Multifunctional Applications
Authors: Wang Xiaokang , Xu Mingming , Fan Weidong , Sun Daofeng 
Published: August 2023

Comprehensive SummaryIron‐based metal‐organic frameworks (Fe‐MOFs) have attracted extensive interest from researchers due to their tunability, favorable properties, and chemical versatility. Compared with conventional porous materials, Fe‐MOFs exhibit better performance in a wide variety of applications. Herein, the structures of Fe‐MOFs are summarized to explore potential structures based on isoreticular chemistry, as well as the recent research progress in their synthesis and multifunctional applications. The rapid development of Fe‐MOFs has broadened the application range of Fe‐MOFs, and a brief description of Fe‐MOF applications in gas storage and separation, catalysis, bioimaging, and magnetism is outlined, with the aim to expand the prospects of Fe‐MOFs in more practical applications.
Electronic Structure of the Low‐Lying States of the Triatomic MoS2 Molecule: The Building Block of 2D MoS2
Authors: Mermigki Markella A. , Karapetsas Ioannis , Tzeli Demeter 
Published: August 2023

AbstractMolybdenum disulfide (MoS2) is the building component of 1D‐monolayer, 2D‐layered nanosheets and nanotubes having many applications in industry, and it is detected in various molecular systems observed in nature. Here, the electronic structure and the chemical bonding of sixteen low‐lying states of the triatomic MoS2 molecule are investigated, while the connection of the chemical bonding of the isolated MoS2 molecule to the relevant 2D‐MoS2, is emphasized. The MoS2 molecule is studied via DFT and multireference methodologies, i. e., MRCISD(+Q)/aug‐cc‐pVQZ(−PP)Mo. The ground state,
3B1, is bent (Mo−S=2.133 Å and ϕ(SMoS)=115.9°) with a dissociation energy to atomic products of 194.7 kcal/mol at MRCISD+Q. In the ground and in the first excited state a double bond is formed between Mo and each S atom, i. e.,
. These two states differ in which d electrons of Mo are unpaired. The Mo−S bond distances of the calculated states range from 2.108 to 2.505 Å, the SMoS angles range from 104.1 to 180.0°, and the Mo−S bonds are single or double. Potential energy curves and surfaces have been plotted for the
3B1, 5A1 and 5B1 states. Finally, the low‐lying septet states of the triatomic molecule are involved in the material as a building block, explaining the variety of its morphologies.
Anion‐π Interactions: What's in the Name?
Authors: Rosokha Sergiy V. 
Published: August 2023

AbstractThe studies of the anion‐π interactions advanced during the last two decades from the discussion of the mere existence of this counter‐intuitive bonding to its utilization for anion recognition and transport, catalysis, and other applications. Yet, there are substantial differences in the interpretation of nature and the driving forces of anion‐π bonding. Most surprisingly, there are still different opinions about the meaning of this term (i. e., which associations can be considered anion‐π complexes). After a brief overview of the studies in this area (including early examples of such complexes), we suggested that anion‐π bonding occurs when there is evidence of a net attraction between a (close‐shell) anion and the face of an electrophilic π‐system. This definition encompasses fundamentally similar supramolecular complexes comprising diverse π‐systems and anions and its general acceptance would facilitate a discussion of the nature and distinct driving forces of this fascinating interaction.
Long Cycle‐Life Ca Batteries with Poly(anthraquinonylsulfide) Cathodes and Ca−Sn Alloy Anodes
Authors: Bier Daniel , Li Zhenyou , Klyatskaya Svetlana , Sbei Najoua , Roy Ananyo , Riedel Sibylle , Fichtner Maximilian , Ruben Mario , Zhao‐Karger Zhirong 
Published: August 2023

AbstractCalcium (Ca) batteries are attractive post‐lithium battery technologies, due to their potential to provide high‐voltage and high‐energy systems in a sustainable manner. We investigated herein 1,5‐poly(anthraquinonylsulfide) (PAQS) for Ca‐ion storage with calcium tetrakis(hexafluoroisopropyloxy)borate Ca[B(hfip)4]2 [hfip=OCH(CF3)2] electrolytes. It is demonstrated that PAQS could be synthesized in a cost‐effective approach and be processed environmentally friendly into the electrodes. The PAQS cathodes could provide 94 mAh g−1 capacity at 2.2 V vs. Ca at 0.5C (1C=225 mAh g−1). However, cycling of the cells was severely hindered due to the fast degradation of the metal anode. Replacing the Ca metal anode with a calcium‐tin (Ca−Sn) alloy anode, the PAQS cathodes exhibited long cycling performance (45 mAh g−1 at 0.5C after 1000 cycles) and superior rate capability (52 mAh g−1 at 5C). This is mainly ascribed to the flexible structure of PAQS and good compatibility of the alloy anodes with the electrolyte solutions, which allow reversible quinone carbonyl redox chemistry in the Ca battery systems. The promising properties of PAQS indicate that further exploration of the organic cathode materials could be a feasible direction towards green Ca batteries.
Quantifying the Resistive Losses of the Catalytic Layers in Anion‐Exchange Membrane Fuel Cells
Authors: Douglin John C. , Vijaya Sankar Kalimuthu , Biancolli Ana Laura G. , Santiago Elisabete I. , Tsur Yoed , Dekel Dario R. 
Published: August 2023

AbstractThe existing gap in the ability to quantify the impacts of resistive losses on the performance of anion‐exchange membrane fuel cells (AEMFCs) during the lifetime of their operation is a serious concern for the technology. In this paper, we analyzed the ohmic region of an operating AEMFC fed with pure oxygen followed by CO2‐free air at various operating currents, using a combination of electrochemical impedance spectroscopy (EIS) and a novel technique called impedance spectroscopy genetic programming (ISGP). Presented here for the first time in this work, we isolated and quantified the individual effective resistance (Reff) values occurring in the AEMFC and their influence on performance as operating conditions change. We believe that this first work is vital to help distinguish the influence of the individual catalytic and mass‐transfer processes in this technology thereby providing valuable data to the AEMFC community, with potentially wider applicability to other electrochemical devices where individual physical processes occur simultaneously and need to be sequestered for deeper understanding.
A non‐isolated DC‐DC topology with high voltage rate based on magnetic coupling and voltage multiplier method
Authors: Yousefi Nasser , Mirabbasi Davar , Alfi Behrouz , Salimi Mahdi , Aghajani Gholamreza 
Published: August 2023

SummaryIn this study, a novel non‐isolated DC‐DC converter based on magnetic coupling and voltage multiplier technique has been proposed. The output voltage of the suggested converter can be enhanced by selecting the appropriate turn ratio of the coupled inductor. To further improve the voltage gain, a voltage multiplier circuit including the capacitors and diodes has been utilized in this converter. The main features of the proposed converter are a high voltage conversion ratio, high efficiency, and lower peak voltage throughout the semiconductor devices. Besides, there are soft switching conditions throughout the diodes of the presented topology, which leads to reducing the reverse recovery losses of the diodes and subsequently improving the overall efficiency of the system. Also, only one insulated‐gate field‐effect transistor (MOSFET) has been used in the structure of the converter. Thus, the switch with lower on‐state resistance can be selected for the suggested converter that decreases the conduction losses. To prove the performance of the suggested structure, the operational analysis, mathematical descriptions, efficiency analysis, and comparison survey with similar structures in the literature have been described. Finally, a laboratory prototype with 200 W output power with 95.14% load efficiency, 20 V input voltage, and 260 V output voltage at 50 kHz switching frequency has been provided.
Use of the SINBAD score as a predicting tool for major adverse foot events in patients with diabetic foot ulcer: A French multicentre study
Authors: Ha Van Georges , Schuldiner Sophie , Sultan Ariane , Bouillet Benjamin , Martini Jacques , Vouillarmet Julien , Menai Medhi , Foucher Aurélie , Bourron Olivier , Hartemann Agnes , Perrier Antoine 
Published: August 2023

AbstractObjectiveTo assess the relationship between the site, ischaemia, neuropathy, bacterial infection, area, depth (SINBAD) score and major adverse foot events in patients with diabetes and foot ulcers.MethodsFor this retrospective ancillary study, patients (n = 537) followed for a diabetic foot ulcer (DFU) in six French hospitals were included between 1 February 2019 and 17 March 2019, and between 1 February 2020 and 17 March 2020. The SINBAD score was assessed at inclusion. The frequency of a composite outcome consisting of eight major adverse foot events (MAFE) was assessed after 5–6 months of follow‐up: hospitalisation for DFU, septic surgery, revascularisation, minor amputation, major amputation, death, secondary infection and ulcer recurrence. A logistical regression explored the link between the SINBAD score and MAFE and each of its component.ResultsA low SINBAD score (from 0 to 3) was observed in 61% of patients and a high (from 4 to 6) in 39%. MAFE occurred in, respectively, 24% and 28% of these patients. Multivariate analyses showed a significant relationship between the SINBAD score and MAFE, with the continuous SINBAD score: odds ratio (OR) 1.72 [95% CI (1.51–1.97)] or dichotomic SINBAD score (values: 0–3 and 4–6): OR 3.71 [95% CI (2.54–5.42)]. The SINBAD score (continuous or dichotomic) at inclusion was also significantly associated with six out of the eight components of the MAFE.ConclusionsThe SINBAD score is a useful tool for predicting major adverse foot events.
Antitangling and manufacturable Fog Harps for high‐efficiency water harvesting
Authors: Kaindu Jimmy K. , Murphy Kevin R. , Kowalski Nicholas G. , Jones Alexandra N. , Fleming Matthew Davis , Kennedy Brook S. , Boreyko Jonathan B. 
Published: August 2023

AbstractFog Harps harvest substantially more water than conventional mesh‐based harvesters. However, to date, all large‐scale Fog Harps have been impractically hand‐wound at low wire tensions and suffer from elastocapillary wire tangling. Here, we develop large‐scale and high‐tension Fog Harps that are manufacturable and antitangling. These Fog Harps retain the record‐setting fog harvesting efficiency (%) of their optimized scale‐model counterparts, while uniquely enabling practical real‐life implementation. Manufacturability was achieved by adapting the industrial process for making harp screens, a pre‐existing technology used for screening solid materials. The critical tension required to minimize wire tangling was rationalized by an improved elastocapillary tangling model.
Copper‐Catalyzed Synthesis of Alkynyl Thioamides: An Efficient Thioacylation of Alkynes
Authors: Du Jing , Zhao Shi‐Yi , Hu Zhi‐Chao , Yu Jun‐Xia , Dong Zhi‐Bing 
Published: August 2023

AbstractA copper‐catalyzed efficient synthesis of alkynyl thioamides starting from tetraalkyl thiuram compounds (TMTM: tetramethyl thiuram monosulfide, TIBTM: tetraisobutyl thiuram monosulfide) and alkynes was reported. Thus, tetraalkyl thiurams reacted with alkynes smoothly, giving a variety of alkynyl thioamides promoted by CuI/Cs2CO3 system. This protocol features easy operation, inexpensive starting materials and good yields, illustrating its potential synthetic value for the synthesis of thioamides and their derivatives.