bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dual Roles of Supporting Electrolytes in Organic Electrosynthesis
Authors: Gombos Lilla G. , Nikl Joachim , Waldvogel Siegfried R. 
Published: January 2024

AbstractSynthetic electro‐organic chemistry is advancing to a well‐established methodology in academic research and industry. The simple process control minimizes reagent waste and avoids using toxic and environmentally unfriendly redox agents, providing a feasible and sustainable alternative to conventional techniques. However, a fundamental disadvantage, is the necessity of ion‐conductive components within the electrolyte. The recovery of these supporting electrolytes, as well as simple product isolation, pose challenges for work‐up strategies. This review presents the following electrochemical protocols featuring a simple material‐ and resource‐saving strategy: the dual role of supporting electrolytes as conductivity enabling components and reagents or meditators. This review is the first to conclude and categorize dual role strategies for the supporting electrolytes. It may inspire electrochemists to advance the development and optimization of electrochemical synthesis protocols towards more material‐ and resource‐efficient reaction control.
Shaping Chirality via Stereoselective, Organocatalytic [4+2] Cycloadditions involving Heterocyclic ortho‐Quinodimethanes
Authors: Marcantonio Enrico , Curti Claudio 
Published: January 2024

AbstractPolycyclic compounds bearing a complex heterocyclic core such as an aromatic heterocycle “fused” with one or more functionalized rings, are widespread leading molecules in the domain of synthetic organic chemistry and pharmaceuticals. Although many synthetic methodologies have been devised to access achiral, fused heteroaromatic scaffolds, or related chiral variants adorned with out‐of‐cycle stereogenic elements, equally efficient strategies to afford chiral heterocycles featuring in‐cycle stereocenters, exist to a lesser extent and presently represent a growing field of investigation. The mild, organocatalytic generation of elusive ortho‐quinodimethane intermediates (oQDMs), derived from suitable heteroaromatic carbonyl‐ or carbonyl‐like pronucleophiles has recently proved successful in the synthesis of such peculiar chiral architectures via stereoselective [4+2] cycloadditions. This review provides an overview of the most important advances attained in this field over the last decade.
Straightforward Access to Free β2,3,3‐Amino Acids through One Pot C‐H Activation/C−C Cleavage
Authors: Qin Yibo , Wang Yaping , Deng Ruwendan , Pei Zengkai , Xiong Heng‐Ying , Wang Teng , Zhang Guangwu 
Published: January 2024

AbstractThe first synthesis of unnatural β2,3,3‐amino acids with a spirocyclic backbone by one‐pot protocol has been presented. This reaction features wide functional group tolerance and feasibility of post‐functionalization of natural products and biologically important molecules. Novel dipeptide and tripeptide structures were assembled using this newly developed β2,3,3‐amino acid in high efficiency. The combination of C−H activation and C−C cleavage for the synthesis of β‐amino acids would trigger more promising synthetic routes for this compound.
Enantioselective polar‐organic mode high‐performance liquid chromatographic separation of lifitegrast on immobilized polysaccharide stationary phase and its application to pH‐dependent chiral interconversion studies
Authors: Kandula Jony Susanna , Rayala Veera Venkata Satya Prasanna Kumari , Parmar Keyur , Ponnapalli Veerabhadra Swamy , Gantala Mahendar , P. Radhakrishnanand 
Published: January 2024

Abstract(S)‐Lifitegrast (LFT) is the novel integrin antagonist, approved by the Food and drug administration, to treat signs and symptoms of dry eye disease. Synthesis of racemic LFT, preparative and analytical enantiomer separation, and chiral interconversion studies are lacking in the literature. Hence, in our study, synthesis of LFT racemate, chiral preparative purification procedure of enantiomer, and comprehensive analytical advancements are focused on rapid enantioselective separation and pH‐dependent chiral interconversion studies. The synthesis of LFT racemate employed 2‐amino‐3‐(3‐(methylsulfonyl)phenyl)propanoic acid hydrochloride and 2‐(benzofuran‐6‐carbonyl)‐5,7‐dichloro‐1,2,3,4‐tetrahydroisoquinoline‐6‐carbonyl chloride as starting materials. (R)‐LFT was isolated from the racemate by preparative chiral HPLC and characterized using Q‐TOF, FT‐IR, NMR spectroscopy, and chiral HPLC. The purity of (R)‐LFT was determined to have an enantiomeric excess of 99.12%. A precise, accurate, rapid HPLC‐DAD enantioselective analytical method has been developed on Chiralpak IC [tris(3,5‐dichloro phenyl carbamate) immobilized on cellulose] using water and methanol as mobile phase. The chiral interconversion study reveals 0.22% and 0.21% of interconversion of (S)‐LFT into (R)‐LFT at 80°C in pH 7.4 and 9.5 buffers, respectively, on the 24th day. An alternative route to enantioselective synthesis of LFT enantiomers by chromatographic separation is proposed. The validated enantioselective HPLC method will help to test the regular quality control samples.
RNA oligomers at atomic resolution containing 1‐methylpseudouridine, an essential building block of mRNA vaccines
Authors: Nievergelt Philipp , Berliat Florian , McAuley Katherine E. , Dorgan Colin R. , van Well Renate Maria , Thorn Andrea , Spingler Bernhard 
Published: January 2024

AbstractAll widely used mRNA vaccines against COVID‐19 contain in their sequence 1‐methylpseudouridine (m1Ψ) instead of uridine. In this publication, we report two high resolution crystal structures (at up to 1.01 and 1.32 Å, respectively) of one such double‐stranded 12‐mer RNA sequence crystallized in two crystal forms. The structures are compared with similar structures which do not contain this modification. Additionally, the X‐ray structure of 1‐methyl‐pseudouridine itself was determined.
An efficient and optimized cooperative indoor localization for B5G communication
Authors: Sharma Deepti , Babu Battula Ramesh 
Published: January 2024

SummaryUltra‐accurate indoor localization/positioning technology is rapidly gaining interest in 5G and beyond (B5G) communications. Achieving 0.1 m level of precise indoor localization is a significant challenge that can be resolved using channel state information (CSI) of wireless signals from nearby access points. The complex indoor propagation issues like shadowing, blockage effects, and multi‐path fading diminish CSI, affecting precise position/location accuracy. Thus, to achieve ultra‐accurate localization, a novel MOIL framework is proposed using a deep learning BiLSTM model and CSI features in an efficient and optimized manner. The proposed MOIL integrates two functional blocks, SecLOP and CordNet. SecLOP conceals multi‐path effects and noise to optimize the input information using sequential responses of signals. CordNet minimizes precise position/location errors by taking all combinations of optimized signal features from the SecLOP block. Extensive simulation experiments were conducted to validate MOIL in different indoor scenarios, such as line‐of‐sight (LOS) and non‐line‐of‐sight (NLOS). Moreover, through a substantial ablation study, the efficiency of the proposed framework is validated/verified. The results outperformed existing works by providing cm‐level accuracy of 1 cm in LOS and 1.5 cm in NLOS scenarios. The proposed work outperformed the literature by 31.3% in LOS and 25.30% in NLOS scenarios.
Association between clinical dementia rating and clinical outcomes in Alzheimer's disease
Authors: Lanctôt Krista L. , Boada Mercè , Tariot Pierre N. , Dabbous Firas , Hahn‐Pedersen Julie , Udayachalerm Sariya , Raket Lars Lau , Saiontz‐Martinez Cynthia , Michalak Wojciech , Weidner Wendy , Cummings Jeffrey 
Published: January 2024

AbstractINTRODUCTIONWe examined associations between the Clinical Dementia Rating Scale (CDR) and function (Functional Assessment Scale [FAS]), neuropsychiatric symptoms (Neuropsychiatric Inventory Questionnaire [NPI‐Q]), and cognitive impairment in Alzheimer's disease (AD).METHODSWe used data from the National Alzheimer's Coordinating Center Uniform Data Set and defined cognitively unimpaired and AD stages using CDR‐global.RESULTSFunctional and neuropsychiatric symptoms occur as early as the mild cognitive impairment (MCI) phase. The adjusted lest square mean FAS (95% confidence interval [CI]) was lowest in cognitively unimpaired (3.88 [3.66, 4.11] to 5.01 [4.76, 5.26]) and higher with more advanced AD (MCI: 8.17 [6.92, 9.43] to 20.87 [19.53, 22.20]; mild: 18.54 [17.57, 19.50] to 28.13 [27.14, 29.12]; moderate: 26.01 [25.31, 26.70] to 29.42 [28.73, 30.10]). FAS and NPI‐Q scores increased steeply with MCI (NPI‐Q: 5.55 [4.89, 6.20] to 7.11 [6.43, 7.78]) and mild AD dementia (NPI‐Q: 6.66 [5.72, 7.60] to 8.32 [7.32, 9.33]).DISCUSSIONCDR‐global staged AD by capturing differences in relevant outcomes along AD progression.Highlights
There were strong associations among CDR and the various outcomes relevant to healthcare providers, patients, and their care givers, such as activities of daily living.
Overall, activities of daily living, neuropsychiatric symptoms, and cognitive function outcomes deteriorated over time and can be observed in early stages of AD (MCI or mild dementia).
Our findings directly inform the current understanding of AD progression and can aid in care planning and benefit assessments of early AD interventions to delay the progression of AD to more advanced stages.
Delayed primacy recall performance predicts post mortem Alzheimer's disease pathology from unimpaired ante mortem cognitive baseline
Authors: Bruno Davide , Gicas Kristina M. , Jauregi‐Zinkunegi Ainara , Mueller Kimberly D. , Lamar Melissa 
Published: January 2024

AbstractWe propose a novel method to assess delayed primacy in the Consortium to Establish a Registry for Alzheimer's Disease (CERAD) memory test. We then examine whether this measure predicts post mortem Alzheimer's disease (AD) neuropathology in individuals who were clinically unimpaired at baseline. A total of 1096 individuals were selected from the Rush Alzheimer's Disease Center database registry. All participants were clinically unimpaired at baseline, and had subsequently undergone brain autopsy. Average age at baseline was 78.8 (6.92). A Bayesian regression analysis was carried out with global pathology as an outcome; demographic, clinical, and apolipoprotein E (APOE) data as covariates; and cognitive predictors, including delayed primacy. Global AD pathology was best predicted by delayed primacy. Secondary analyses showed that delayed primacy was mostly associated with neuritic plaques, whereas total delayed recall was associated with neurofibrillary tangles. Sex differential associations were observed. We conclude that CERAD‐derived delayed primacy is a useful metric for early detection and diagnosis of AD in unimpaired individuals.Highlights
We propose a novel method to analyse serial position in the CERAD memory test.
We analyse data from 1096 individuals who were cognitively unimpaired at baseline.
Delayed primacy predicts post mortem pathology better than traditional metrics.
Detection of methandienone and its metabolites in equine urine, plasma and hair following a multidose oral administration
Authors: Viljanto Marjaana , Love Catherine , White Daniel , Habershon‐Butcher Jocelyn , Hincks Pamela , Gray Bobby , Scarth James 
Published: January 2024

AbstractMethandienone is an anabolic‐androgenic steroid that is prohibited in equine sports due to its potential performance enhancing properties. Metabolism and detection of methandienone in equine urine have been investigated comprehensively in literature; however, there is a limited knowledge about its metabolites in equine plasma and no information about its detection in equine hair. Following a multi‐dose oral administration of methandienone to two Thoroughbred horses, 17‐epimethandienone, methyltestosterone, two mono‐hydroxylated, two di‐hydroxylated and three 17α‐methylandrostanetriol metabolites were detected in plasma. The majority of these were present as free analytes, whilst the mono‐hydroxylated metabolites and one isomer of 17α‐methylandrostanetriol were partially conjugated. Estimated peak concentrations of methandienone were 6,000 and 11,100 pg/ml; meanwhile, they were 25.4 and 40.5 pg/ml for methyltestosterone. The most abundant analyte in the post‐administration plasma samples of both horses was the mono‐hydroxylated metabolite; however, the parent compound provided the longest detection (up to 96 h). Screening analysis of hair enabled the detection of methandienone in mane hair samples only, for up to 3 months. Its mono‐ and di‐hydroxylated metabolites were detected with greater peak responses for up to 6 months post‐administration in both mane and tail samples, showing that these metabolites could be better analytical targets for hair analysis when administered orally. A follow‐up methodology with an extensive wash procedure confirmed the presence of methandienone and its metabolites in a number of post‐administration hair samples. Final wash samples were also analysed to assess the degree of internal incorporation (via bloodstream) against possible external deposition (via sweat/sebum).
A systematic review of resprouting in woody plants and potential implications for the management of urban plantings
Authors: Kenefick Claire , Livesley Stephen , Farrell Claire 
Published: January 2024

AbstractNaturalistic plantings, such as meadow‐style plantings, can improve the quality of urban green spaces through aesthetic, biodiversity and low maintenance features. Species selection for, and maintenance of naturalistic plantings are key to their success. While herbaceous and grassy meadows can be mowed, naturalistic plantings with woody plants require more intense maintenance to remove biomass and promote resprouting. We aim to understand woody plant responses to diverse disturbance regimes to potentially inform the selection and management of woody species in urban plantings. We conducted a quantitative systematic literature review of 72 papers and investigated what main external (climate, disturbance regime) and internal (buds, life stage, storage reserves) factors influence the resprouting response of woody plants. We found resprouting literature is geographically widespread for woody plants, but studies are skewed towards Temperate climates in USA and Australia, with a focus on high severity and high frequency fire disturbance. Resprouting response was mostly defined as a continuous response to disturbance dependent on disturbance regime, climate and plant traits. Maintenance and management of naturalistic woody plantings, through hard pruning techniques such as coppicing, may be informed by analogous high severity and high frequency disturbance studies. However, the literature on woody plant resprouting has several knowledge gaps for lower severity and lower frequency disturbance regimes and in more arid climates. Future research should evaluate the response of naturalistic woody plantings to disturbance in specific urban contexts.
Upgraded diesel‐like fuel from pyrolysis of a waste tire and its engine performance and exhaust emissions
Authors: Şen Nejdet , Demir Caner , Kar Yakup 
Published: January 2024

AbstractGranulated truck waste tire was first pyrolyzed in a fixed‐bed reactor under an inert atmosphere and at certain conditions. The highest oil yield of which was 47.0 wt %, was attained at 550 and 20°C/min. The oil was separated into a fraction of 150–300°C boiling points, so‐called diesel‐like fuel (DBY), with a calcium oxide (CaO) catalyst at an optimal ratio of 2 wt %. The fraction was subjected to desulfurization, bleaching, and deodorization, respectively, at specific conditions, and this process resulted in a decrease of 75.8 wt % compared to its initial sulfur content of 5000 ppm. The upgraded diesel‐like oil (DAF) fraction contained chemical compounds with carbon numbers C6–C26. In addition, its physicochemical characteristics showed a kinematic viscosity of 3.13 cSt (40°C), a density of 832 g/L (15°C), a lower heating value of 42.32 MJ/kg, and an H/C molar ratio of 1.73. Lastly, the DAF was tested with commercial diesel fuel for its motor and emission performance via a single‐cylinder diesel engine. All in all, it can be said that the DAF may be harnessed as a substitute for diesel fuels after its further upgrading via catalytic hydrodesulfurization etc.
Unconditionally stable fully‐discrete finite element numerical scheme for active fluid model
Authors: Wang Bo , Zhang Yuxing , Zou Guang‐an 
Published: January 2024

AbstractIn this paper, we propose a linear, decoupled, unconditionally stable fully‐discrete finite element scheme for the active fluid model, which is derived from the gradient flow approach for an effective non‐equilibrium free energy. The developed scheme is employed by an implicit‐explicit treatment of the nonlinear terms and a second‐order Gauge–Uzawa method for the decoupling of computations for the velocity and pressure. We rigorously prove the unique solvability and unconditional stability of the proposed scheme. Several numerical tests are presented to verify the accuracy, stability, and efficiency of the proposed scheme. We also simulate the self‐organized motion under the various external body forces in 2D and 3D cases, including the motion direction of active fluid from disorder to order. Numerical results show that the scheme has a good performance in accurately capturing and handling the complex dynamics of active fluid motion.
Paper‐structured catalyst with a dispersion of ceria‐based oxide support for improving the performance of an SOFC fed with simulated biogas
Authors: Tu Phuc Hoan , Sakamoto Mio , Dinh Duc Minh Trinh , Doan Tin Chanh Duc , Dang Mau Chien , Shiratori Yusuke 
Published: January 2024

AbstractSolid oxide fuel cells (SOFCs) can accept a direct feed of biogas for power generation; however, carbon deposition is a major obstacle to their practical application. When a paper‐structured catalyst (PSC) with a dispersion of Ni‐loaded flowerlike Ce0.5Zr0.5O2 (Ni/CZ(F)) was applied to the anode of an electrolyte‐supported cell (ESC), the open‐circuit voltage of the cell directly fed simulated biogas was increased from 0.87 to 0.98 V at 750°C. The rates of cell‐voltage degradation and coke formation of the ESC with the Ni/CZ(F)‐PSC during 100 h of operation were 4.3% kh−1 and 0.43 mg‐C g‐PSC−1 h−1, respectively, which were lower than those of an ESC with a Ni‐loaded PSC without the CZ(F) dispersion (10.4% kh−1 and 8.1 mg‐C g‐PSC−1 h−1, respectively). This performance improvement is attributed to the unique porous morphology and high oxygen storage capacity of CZ(F), which can contribute to the prevention of Ni agglomeration and the removal of coke from the catalyst surface, respectively. Thus, the Ni/CZ(F)‐PSC can function as a practically applicable reforming domain for an internal‐reforming biogas‐fueled SOFC.
Thermodynamics, Environmental and Sustainability Impacts of a Turbofan Engine Under Different Design Conditions Considering Variable Needs in the Aviation Industry
Authors: Aygun Hakan , Sheikhi Mohammad Rauf , Caliskan Hakan 
Published: January 2024

AbstractIn this study, thermodynamic analysis is implemented to the kerosene‐fuelled high by‐pass turbofan (HBP‐TF) engine to assess entropy, exergy, environmental, and sustainability metrics for different design variables such as pressure ratio of high‐pressure compressor (HPC‐PR) ranging from 7.5 to 8.5 and turbine inlet temperature (TIT) varying from 1400 to 1525 K considering variable needs in the aviation industry. As a novelty, entropic improvement potential (EIP) index for turbomachinery components and specific irreversibility production for the whole engine are calculated. Sustainability‐based parameters for different cases are compared with the baseline values of the HBP‐TF engine. The combustor has the highest entropy production of 44.4425 kW K−1 at the baseline. The higher TIT increases the entropy production of the combustor by 16.56%, whereas the higher HPC‐PR decreases it by 5.83%. The higher TIT and HPC‐PR favorably affect the sustainable efficiency factor of the engine, which is observed as 1.5482 at baseline and increases by 4.5% and 0.058% with the increment of TIT and HPC‐PR, respectively. The higher TIT and higher HPC‐PR results in lowering sustainability of the engine. The specific irreversibility production of the engine decreases by 3.78% and 0.1171% respectively, as TIT and HPC‐PR reach the highest point considered in the study.
Ecological models in higher education research: Overview and synthesis
Authors: Renn Kristen A. , Smith Brandon R. G. 
Published: January 2024

AbstractIn this chapter we provide an overview of campus ecology and ecological systems theory as applied to the study of higher education, most often to research on college students. We describe Bronfenbrenner's developmental ecological model and its application of it to the study of college students. We then discuss affordances and limitations of this approach, including criticism of its lack of attention to systems of privilege and oppression in the higher education environment. We present a number of innovative approaches to using the Bronfenbrenner model that address these limitations, as well as adaptations to the model that incorporate critical theory, queer theory, and Indigenous Knowledge Systems.Practical Takeaways
Ecological systems theory offers a powerful framework for understanding college students and organizational studies in postsecondary education.
Despite the utility of ecological models, they fail fully to take into account systemic forces like racism, homophobia, and transphobia that work at every level from the individual to the macro‐level, rendering them less powerful than they could be.
Innovative applications of ecological models provide new insights into higher education.
Researchers have developed new adaptations of ecological models that incorporate critical lenses (e.g., queer theory, critical race theory, decolonial theory), enabling richer analysis of higher education.