bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cation‐lone Pair Interaction in Alkali/Alkaline Earth Metal Ion‐Heavier Borazine Analogue Complexes
Authors: Saha Bapan 
Published: November 2024

AbstractThe present study is the first report on the formation of alkali/alkaline earth metal ion‐heavier borazine analogue complexes via cation‐lone pair interaction. Density functional calculations are performed in scrutinizing the complex formation between alkali (Li+, Na+, K+)/alkaline earth (Be2+, Mg2+, Ca2+) metal ions and heavier borazine analogues (HBA) viz. B3P3H6, Al3N3H6, Al3P3H6, Al3As3H6, and Ga3P3H6. The complexes are found to be stable in gas phase with stabilization energies within the range 26.40–324.74 kcal mol−1. The stability can be attributed to the polarizing power of the involved metal ions. Presence of solvent phase exerted notable impact on the stability of the complexes; stability is reduced significantly with the increase in solvent polarity. The process of complexation is exothermic and spontaneous. QTAIM analysis indicated the presence of both ionic and covalent interaction between HBAs and metal ions. HOMO energy, Wiberg bond index, NCI‐isosurface and RDG plot analysis revealed the major role of cation‐lone pair interaction in the complexation process.
Enantioselective Complexation of Protonated Tyrosine by a Chiral Crown‐ether: The Nature of the Hydrogen Bonds Makes the Difference
Authors: Vo Kien X. , Hirata Keisuke , Martínez‐Haya Bruno , Oomens Jos , Ishiuchi Shun‐ichi , Fujii Masaaki , Zehnacker Anne 
Published: November 2024

AbstractThe complexes formed between (18‐crown‐6)‐tetracarboxylic acid, denoted as 18C6TA, and the two enantiomers of protonated tyrosine, L‐ and D‐Tyr, are studied in a cryogenic ion trap by combining mass spectrometry, laser spectroscopy, and DFT calculations. Both UV and IR photodissociation spectra indicate the formation of multiple isomers for each complex, some of them interconverting upon IR irradiation. Conformer‐selective vibrational spectroscopy reveals that all structures involve an internally hydrogen‐bonded folded structure of the crown ether. The complexes formed with L‐Tyr involve two NH…O interactions with the ether oxygen atoms, accompanied by two hydrogen bonds to the crown ether carboxylic function, one from the NH group and the other from the COOH group of tyrosine. The complexes formed with D‐Tyr show more conformational mobility: two out of the three lowest energy conformers observed are tripodal, with three NH…O interactions between the amino acid ammonium and the crown ether oxygens. An additional conformer shows only one NH…O interaction, but has two interactions involving one of the cavity COOH moieties, one with the NH and one with the phenol OH. The increased calculated stability of the complex made from (−) 18C6TA and L‐Tyr parallels its higher abundance in the mass spectrum of an isotopically labelled racemic mixture.
Injection of Ortho‐Functionalized Tetrafluorinated Azobenzene‐Containing siRNAs into Japanese Medaka Embryos for Photocontrolled Gene Silencing
Authors: Mateus Makenzie , Hammill Matthew L. , Simmons Denina B. D. , Desaulniers Jean‐Paul 
Published: November 2024

AbstractThis article describes the detailed methodology of how to inject photoswitchable ortho‐functionalized tetrafluorinated short interfering RNAs (F‐siRNAs) into a single cell of stage‐two Japanese medaka (Oryzias latipes) embryos and how to control gene silencing with different wavelengths of light. Many of the prior papers describing Japanese medaka embryo injections omit key information. As such, this article aims to give an in‐depth explanation as to how the NanoJect III microinjector can be used for this purpose. To obtain the embryos for microinjection, adult medaka are housed under a 14‐hr light, 10‐hr dark cycle to mimic their natural breeding period. This induces mating at approximately the same time each day, when the lights turn on, so recently fertilized eggs can be obtained. Synthetic F‐siRNAs are injected into transgenic stage‐two single‐cell Japanese medaka embryos expressing enhanced green fluorescent protein (eGFP). Our data demonstrate that our F‐siRNAs can silence gene activity in Japanese medaka embryos expressing eGFP. Moreover, gene expression can be activated by exposing F‐siRNA‐injected embryos to blue light and deactivated a few days after exposure to green light. To the best of our knowledge, this marks the first reversible control of a gene‐silencing oligonucleotide within an in vivo system. © 2024 The Author(s). Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Medaka maintenance and embryo collectionBasic Protocol 2: Injection of stage‐two one‐cell medaka embryosBasic Protocol 3: Evaluation of the F‐siRNA gene‐silencing ability through light activation and inactivation using blue and green light by measuring enhanced green fluorescent protein fluorescence
Steering Acid‐Base Site Distribution and Hydrophobicity of Bioresourced Bifunctional Hybrid Materials for Direct Synthesis of γ‐Valerolactone from Biomass‐Based Furfural
Authors: Wu Mei , Liu Wenping , Deng Fengjuan , Liu Shima , Song Ke , Zhou Xianwu , Guo Jie , He Jian , Li Hu 
Published: November 2024

AbstractThe direct production of value‐added chemicals from biomass via multiple conversion processes with a sole renewable solid catalyst is promising for carbon‐neutral development while challenging. Herein, a series of novel bioresourced organic‐inorganic hybrid materials were synthesized from bio‐based ascorbic acid (Vc), zirconium chloride (ZrCl4) and p‐toluenesulfonic acid (p‐TSA) through a facile solvothermal process. The as‐prepared Zr‐Vc‐3 catalyst with Vc, ZrCl4, and p‐TSA in the 1 : 1:0.5 molar ratio displayed outstanding performance in direct furfural‐to‐γ‐valerolactone (GVL) transformation, giving an ultrahigh GVL yield of 76.2 %, with an ideal activation energy (55.46 kJ mol−1), outperforming state‐of‐the‐art catalysts. The superior performance of Zr‐Vc‐3 could be ascribed to its good reusability, relatively large pore size, suitable amount of acid‐base sites, and good hydrophobicity. Mechanistic studies unveiled that Lewis acid‐base sites facilitate the conversion of furfural to furfuryl alcohol and isopropyl levulinate (IPL) to 4‐hydroxypentanoate via transfer hydrogenation process, while Brønsted acid sites are instrumental in the ring‐opening of furfuryl alcohol to IPL and the lactonization of 4‐hydroxypentanoate to GVL, overall contributing to the multi‐step conversion of furfural to GVL in a single pot. This work provides a valuable reference for precisely constructing bio‐based OIHMs with tailored functionalities for the one‐pot valorization of biomass feedstocks via tandem reactions.
A Deep Learning Model for Optimizing Downlink Parameters of Wireless Information and Power Transfer in Massive MIMO Networks
Authors: Elrashidy Mohamed , Masood Mudassir , Arshad Nasir Ali 
Published: November 2024

ABSTRACTMassive multiple‐input multiple‐output (MIMO) technology with a base station (BS) equipped with a large number of transmit antennas is a promising application for wireless information and power transfer (WIPT) in energy‐constrained wireless networks. Recently, a transmit time switching (TS) protocol, where the information and energy are transferred over a different fractions of a time‐slot, has received much attention to enable WIPT. The optimal beamforming design and time‐fraction allocation for information and energy transfer are important to maximize the worst‐case throughput while fulfilling the energy harvesting requirement. However, the existing solution in literature is computationally demanding due to its dependence on off‐the‐shelf solvers such as CVX. In this work, a deep learning model is sought to predict the optimum resource allocation parameters in WIPT‐based massive MIMO systems. The model is composed of three fully connected networks, each of which is trained to predict certain optimization variables. The proposed network enables the system to quickly update the required optimization parameters as the network condition changes without revisiting the original optimization problem. Moreover, it is found that user distances are sufficient input features to train the networks, as training using channel state information (CSI) of the users renders the proposed solution time‐inefficient, as a channel estimation technique is required. It is also found that training using distances yields more accurate results than training using CSI, which suggests that the deep neural network (DNN) extracts higher quality features from spatial information than the features extracted given the corresponding CSI.
Stochastic Modeling of a Base Station in 5G Wireless Networks for Energy Efficiency
Authors: Aggarwal Anisha , Selvamuthu Dharmaraja , Gangey Manish , Mittal Saurabh , Mahajan Kushal 
Published: November 2024

ABSTRACTThe potential benefits of 5G networks, such as faster data speeds and improved user experiences, come with a critical challenge—efficiently preserving energy in base stations (BSs). Addressing this challenge is crucial, necessitating a focus on maximizing the energy efficiency of these stations. BSs play a vital role in providing coverage and capacity by using different frequency bands adapting to diverse communication needs. The choice of a specific frequency band can impact network performance, data rates, coverage range, and signal propagation. This study emphasizes the crucial challenge of preserving energy in 5G BSs and underscores the significance of strategic frequency band selection for optimizing energy efficiency and network performance. For this, stochastic models are introduced for BSs, specifically the Markov and semi‐Markov models, which help choose frequency bands based on system traffic. Closed‐form solutions for steady‐state system size probabilities in these models are derived. A sensitivity analysis is conducted to assess power consumption in various scenarios. Furthermore, a comparison between analytical findings and simulation outcomes regarding power consumption is presented. The convergence of results in both methodologies emphasizes a significant level of agreement; that is, the introduced stochastic models provide insights and are validated by a close alignment between analytical and discrete‐event simulation outcomes. We have shown the behavior of power consumption with respect to three different distributions named deterministic, exponential, and hypo‐exponential. This research highlights the importance of strategic frequency band selection for 5G BSs to optimize energy efficiency and meet the demands of evolving communication networks.
Global and Regional Economic Burden of Eating Disorders: A Systematic Review and Critique of Methods
Authors: Ahmed Moin , Islam Md Deen , Aouad Phillip , Miskovic‐Wheatley Jane , Touyz Stephen , Maguire Sarah , Cunich Michelle 
Published: November 2024

ABSTRACTObjectiveThis systematic review aims to comprehensively examine up‐to‐date evidence on the economic burden of eating disorders (EDs), both globally and by region.MethodologyA comprehensive search within five electronic databases, MEDLINE, Embase, CINAHL, PsycINFO, and EconLit, retrieved studies published from August 1, 2013, to June 30, 2024. Cost of illness (COI) studies, burden of disease, and other cost studies that reported costs in monetary values were included, and cost‐effectiveness analysis studies were excluded. The quality of COI studies was assessed using Schnitzler's checklist. All cost estimates were converted into 2024 USD purchasing power parity (PPP). The PROSPERO registration number is CRD42022358136.FindingsTwenty‐six studies were identified for inclusion in this review, with 11 COI studies. The nationwide annual financial cost of EDs is estimated at PPP‐USD 70.5 billion. Indirect costs contributed 70%–93% of total financial costs in the reviewed studies. Intangible costs (burden of disease) were estimated to be PPP‐USD 355.6 billion. About half of the COI studies met 60% of the elements of Schnitzler's checklist, either completely or partly.DiscussionThe number of COI studies has more than doubled in the last 10 years. Findings can inform healthcare administrators/policymakers to understand the magnitude of this burden when setting healthcare priorities and allocating resources to maximize social welfare. However, there are variations in the methods (thus quality) and perspectives used to assess this economic burden. Findings suggest that there is potential for enhancing the methodological rigor of future research.
From Silos to Synergy: A Scoping Review of Team Approaches to Outpatient Eating Disorder Treatment
Authors: Bray Megan , Heruc Gabriella , Wright Olivia R. L. 
Published: November 2024

ABSTRACTObjectiveThis scoping review synthesizes the available evidence on team outpatient eating disorder treatment, focusing on team composition, reported health and service outcomes, and reported principles of Interprofessional Collaborative Practice (IPCP), a synergistic healthcare approach characterized by shared values and ethics, clear roles, communication, and teamwork.MethodA comprehensive search was conducted across five databases, targeting studies published between January 2004 and August 2024 that discussed team–based outpatient eating disorder treatment. Peer‐reviewed and gray literature were included if they detailed team composition, characteristics, dynamics, experiences, processes, or outcomes.ResultsForty‐five studies met the inclusion criteria; nearly half were case reports or lacked primary data. Treatment teams commonly comprised mental health professionals, dietitians, and medical practitioners. Clinical outcomes, such as body mass index and psychopathology, were the most frequently reported, while satisfaction and organizational outcomes were underrepresented. IPCP principles were inconsistently reported, with “Roles/Responsibilities” and “Communication” most frequently mentioned but often superficially addressed.DiscussionThe evidence base for team outpatient eating disorder treatment lacks rigor and depth. Future research should focus on refining the integration of roles across disciplines, developing comprehensive outcome measures for benchmarking, and applying IPCP principles more systematically.
Preparation of N‐Doped Graphene‐Coated CoxNiy Alloy by Laser Induced CoxNiy‐MOFs for Detection of Gallic Acid
Authors: Wang Haixu , Wu Xiaoyu , Lin Yuxin , Ren Qiyao , Peng Bo , Luo Weiwei , Diao Quanping , Ma Ruifeng , Sun Zhen , Qi Xiaonan 
Published: November 2024

AbstractThermal annealing needs protective gas environment, high pyrolysis temperature and long synthesis period. In this work, CoxNiy/PNG nanocomposites were prepared by laser induced CoxNiy‐MOFs at room temperature and in air environment for the first time. In contrast to Co/PNG and Ni/PNG, CoxNiy/PNG exhibits enhanced electrocatalytic activity for the oxidation of gallic acid. The optimal sensor presents a broad linear range of 0.7–120 μM (R2=0.993, with a sensitivity of 0.031 μA/μM) and a low detection limit of 0.13 μM. Meanwhile, the detection results of gallic acid in actual samples by this sensor are satisfactory. This method is simple and feasible and can provide a new idea and method for the rapid preparation of novel nanocatalysts in room temperature and air.
Shake table testing of a seismic isolation system for lightweight structures
Authors: Restrepo Sebastian Lopez , Constantinou Michael C. 
Published: November 2024

AbstractThe implementation of seismic isolation in lightweight structures, such as houses, is limited, except for Japan, where nearly 5000 houses are seismically isolated with highly engineered systems. The use of such systems in countries of growing economies is prohibitive due to their cost, difficulties in locally fabricating components, and incompatibility with local construction practices. Previous studies on low‐cost isolation systems showed that isolation devices with rolling rather than sliding elements are more suitable for lightweight structures. A low‐cost isolation system based on a deformable rolling bearing developed at the University at Buffalo has simple components that can be easily manufactured, has a large displacement capacity, and features a fail‐safe mechanism. The bearing is composed of one flat and one concave concrete plate and a rubber rolling ball. This paper presents the results of shake table testing of half‐length scale versions of prototype houses and small bridges equipped with this deformable rolling isolation system in three‐directional seismic excitation. The results showed that deformable rolling bearings provide significant seismic protection of lightweight structures against strong ground motions, which in the testing reached a maximum peak ground velocity of 1.2 m/s in the test scale and a peak ground acceleration of 4 g in the horizontal direction and up to 1 g in the vertical direction. The isolation system was particularly effective in the horizontal direction, whereas it did not provide any vertical isolation. The tests included cases of extreme response, which included vertical impact within the bearing's components and uplift of the isolated structure.
Real‐time hybrid simulation for investigating the seismic response of a bridge isolated with lead rubber bearings
Authors: Park Jamin , Chae Yunbyeong , Chin Won Jong , Cho Chang Beck 
Published: November 2024

AbstractThis study investigates the seismic response of lead rubber bearings (LRBs) under constant and time‐varying axial forces using real‐time hybrid simulation (RTHS). Although shake table testing can provide realistic seismic responses, it is often expensive and quite challenging for large‐scale structures. RTHS, however, offers a cost‐effective alternative by experimentally testing only the structural component of interest while analytically modeling the remaining structure. With the use of an advanced real‐time force control method, this study implemented RTHSs for a bridge isolated with two LRBs, where the LRBs are subjected to various constant axial forces due to self‐weight as well as time‐varying axial forces induced by vertical ground motions. The lateral response of LRBs was found to be significantly influenced by the magnitude of constant axial force, highlighting the importance of incorporating the effect of axial force due to self‐weight into numerical simulations. Additionally, it is crucial to satisfy the axial force boundary condition when conducting RTHS or cyclic loading tests to obtain more reliable test results. On the other hand, the time‐varying axial force generated by the vertical vibration of the bridge due to vertical ground motions has a limited impact on the lateral response of LRBs.
Neuropsychological profile in young girls at high risk of developing anorexia nervosa
Authors: Dahlin Karin , Järvholm Kajsa , Dobrescu Sandra Rydberg , Dahlgren Jovanna , Wentz Elisabet 
Published: November 2024

AbstractObjectivePrevious research has shown anorexia nervosa (AN) to be associated with a specific neuropsychological profile, including set‐shifting and central coherence deviances. A similar profile has been shown in adult unaffected relatives. The aim of this study was to examine whether poor set‐shifting and central coherence abilities could be detected in children at high risk of developing AN.MethodTwenty‐eight biological healthy daughters of women with previous or current AN and 42 biological daughters of healthy women, all between six and 12 years of age, participated in the study. A neuropsychological test battery (Wechsler Intelligence Scale for Children, Wisconsin Card Sorting Test, Trail Making Test and Rey Complex Figure Test) was used to assess set‐shifting and central coherence abilities.ResultsNo differences in set‐shifting or central coherence performance were detected between the high‐risk group and the comparison group. Adjustments for age and intelligence quotient (IQ) did not affect the results.ConclusionsOur results did not support the notion of preexisting neuropsychological deficits in AN‐related cognitive domains among high‐risk girls.
Experimental Investigation of the Yaw Misalignment Effect on the Power Performance and System Loading of a Flapping‐Foil Hydrokinetic Turbine
Authors: Kim Dong‐Geon , Kim Jihoon , Jung Sejin , Ko Jin Hwan 
Published: November 2024

ABSTRACTHydrokinetic turbines (HTs) extract power by utilizing hydrodynamic forces from flow energy. The surplus load not used for power generation acts as a system load and must be considered when designing the turbine. Additionally, due to the variability of the flow direction during tidal power generation, the effect of the yaw misalignment angle on the power generation performance and system loading is an important design consideration. This study investigates the characteristics of an experimental model of an HT that uses two flapping foils, at different yaw misalignment angles through circulating water tunnel experiments. Experimental results show that with a yaw angle change of 10°, the power performance decreases by approximately 10% and the load increases by about 30% compared to an aligned configuration. Notably, the load in the flow‐perpendicular direction was significant, with periodic changes due to repetitive up‐and‐down motions. Consequently, the hydrodynamic force characteristics of the HT differ from those of conventional rotary turbines, necessitating the development of a design method that fits these characteristics for the actual installation of flapping‐foil HTs at tidal current power generation sites.
Fully Coupled, Higher‐Order, Block‐Structured Mesh Generation in Fluid–Structure Interaction
Authors: Schwentner Teresa , Fries Thomas‐Peter 
Published: November 2024

ABSTRACTIn fluid–structure interaction (FSI), a fluid flow and a deforming solid are coupled along a time‐dependent and moving interface. The change in the fluid domain requires an update of the related mesh. Herein, we propose to use a higher‐order block‐structured mesh generation approach, where a new mesh is generated (rather than updated) in every time step, taking the deformed FSI‐interface into account. The mesh generation is based on a block‐structure, consisting of coarse, linear quads, and transfinite maps to generate sub‐meshes inside the block‐structure, of any desired number and order of elements. The approach presented herein enables high‐quality meshes throughout the simulation. The selection of the block‐structure is crucial and leads to a very robust method. The performance of the mesh generation approach is confirmed through numerical results.
Pediatric Mesenchymal Tumor With MN1::TAF3 Fusion
Authors: Sato Chikako , Sugiyama Masanaka , Mori Taisuke , Nishino Shogo , Tao Kayoko , Ogawa Chitose , Yoshida Akihiko 
Published: November 2024

ABSTRACTMN1 fusion is emerging as oncogenic in soft‐tissue tumors. Here, we provided detailed clinicopathological documentation of a tumor with MN1::TAF3 fusion. The tumor developed on the face of an 8‐year‐old boy and did not recur or metastasize for 5 years after surgery without adjuvant therapy. Histologically, the tumor predominantly comprised sheets and nests of atypical, mildly pleomorphic epithelioid cells. Mallory body‐like eosinophilic cytoplasmic inclusions, small round cells, and fascicles of spindle cells were focally observed. Mitotic activity was high, and focal necrosis was present. Immunohistochemically, the tumor was positive for cytokeratin AE1/AE3 in the epithelioid cell component but otherwise showed nonspecific phenotypes. Targeted RNA sequencing identified an in‐frame MN1 (exon 1)::TAF3 (exon 3) fusion transcript. We validated the transcript with reverse transcription‐polymerase chain reaction, Sanger sequencing, and MN1 break‐apart fluorescence in situ hybridization. MN1::TAF3 was previously listed without details in a large‐scale sequencing study involving a pediatric round cell sarcoma in the orbit, raising the possibility that these tumors might form a coherent group.