bluuebunny/crossref_metadata_2025_split huggingface dataset:
ADReFV: Face video dataset based on human‐computer interaction for Alzheimer's disease recognition
Authors: Xu Tao , Wang Xinheng , Lun Xie , Pan Hang , Wang Zhiliang 
Published: December 2022

AbstractWith the global aging problem becoming more and more serious, the initial screening for Alzheimer's disease (AD) will become increasingly important. We understand that facial expressions are related to the severity of dementia, but there is no face‐related data in the existing Alzheimer's dataset. This article attempts to establish a facial video‐based AD recognition dataset through a human‐computer interaction method. This interactive task was designed for AD in attention, execution, visual space ability, facial apraxia, and facial changes in task success and failure. Using this task as the collection method, the final dataset includes 102 faces video data, specific task scores, and emotional self‐evaluation. For baseline evaluation, the improved local binary pattern on three orthogonal planes and RF were employed respectively for feature extraction and classification with the 5‐fold cross‐validation method. The best performance was 76.00% for 3‐class classification. In addition, a frame attention network based on fine‐grained local region localization was proposed, which improved the accuracy of cognitive classification to 84.45%. Finally, the analysis was conducted for the association of expressions with cognition and emotion in the AD dataset. This study aims to solve the current lack of standards for AD in the field of facial recognition and contribute to future research and clinical applications.
Site‐Selective Unnatural Amino Acid Incorporation at Single or Multiple Positions to Control Sugar‐Protein Connectivity in Glycoconjugate Vaccine Candidates
Authors: Violo Typhaine , Lambert Annie , Pillot Aline , Fanuel Mathieu , Mac‐Béar Jessica , Broussard Cédric , Grandjean Cyrille , Camberlein Emilie 
Published: December 2022

AbstractIn cellulo site‐specific unnatural amino acid incorporation based on amber stop codon reassignment is a powerful tool to modify proteins at defined positions. This technique is herein applied to the selective functionalization of the Pneumococcal surface adhesin A protein at three distinct positions. Nϵ‐propargyloxycarbonyl‐l‐lysine residues were incorporated and their alkyne groups reacted using click‐chemistry with a synthetic azido‐functionalized tetrasaccharide representative of one repeat unit of the Streptococcus pneumoniae serotype 14 capsular polysaccharide. Anti‐PsaA antibody response induced in mice by the trivalent glycoconjugate was determined in comparison with corresponding monovalent and randomly functionalized conjugates. Our results suggest that controlled was superior to random conjugation for preserving antigenicity. In definitive, the reported strategy offers a unique opportunity to study the impact of carbohydrate antigen‐carrier protein connectivity on immunogenicity.
Diastereoselective Synthesis oftrans‐anti‐Hydrophenanthrenes via Ti‐mediated Radical Cyclization and Total Synthesis of Kamebanin
Authors: Suzuki Takahiro , Ikeda Wataru , Kanno Ayaka , Ikeuchi Kazutada , Tanino Keiji 
Published: December 2022

AbstractEnt‐kaurenes consist of an ABC‐ring based on atrans‐anti‐hydrophenanthrene skeleton and a D ring with an exomethylene. Highly oxygen‐functionalizedent‐kauren‐15‐ones have promising antiinflammatory pharmacological activity. In this study, we developed a novel diastereoselective synthesis oftrans‐anti‐hydrophenanthrenes via a Ti‐mediated reductive radical cyclization. We also demonstrated the applicability of this method by developing the first total synthesis of (±)‐kamebanin (longest linear sequence; 17 steps, overall yield; 6.5 %). Furthermore, this synthesis provided a formal semi‐pinacol rearrangement for the construction of the quaternary carbon at C8 and a novel Thorpe‐Ziegler‐type reaction for the construction of the D‐ring.
Trace Explosive Detection Based on Photonic Crystal Amplified Fluorescence
Authors: Chen Xiaodong , Zhang Xiujuan , Wang Hui , Zhang Lianbin , Zhu Jintao 
Published: December 2022

AbstractWith increasing demand for public security and environmental protection, it is highly desirable to develop strategies to identify trace explosives (e. g., 2,4,6‐trinitrotoluene (TNT)). Herein, we report novel photonic crystal (PC)‐based sensor chips for trace TNT detection by using amplification effect of PCs on fluorescence (FL) signals. The sensor chips are constructed by integrating silica nanoparticles (NPs) modified with (3‐aminopropyl)triethoxysilane (APTES) and fluorescein isothiocyanate isomer (FITC) and PC substrates. The amino groups on FITC‐APTES‐silica NPs can specifically bind with TNT molecules to form Meisenheimer complexes and strongly quench the FL signal of neighboring fluorophores FITC through Förster resonance energy transfer. PCs with matched PBG can amplify the FL signal of FITC‐APTES‐silica NPs about 24.4‐fold and significantly improve sensitivity and resolution of trace TNT detection with the limit of detection of 0.23 nM. The PC‐based sensor chips are stable, sensitive, and reliable TNT sensing platforms, showing great potential in homeland safety and environmental protection.
Cooperative Nitrile Coordination Using Nickel and a Boron‐Containing Secondary Coordination Sphere**
Authors: Clapson Marissa L. , Sharma Harvey , Zurakowski Joseph A. , Drover Marcus W. 
Published: December 2022

AbstractMetal‐ligand cooperation has emerged as a versatile tool for substrate activation in chemical reactivity. Herein, we provide the synthesis and characterization of a monoboranyl‐containing analogue of the ubiquitous bulky diphosphine ligand, 1,2‐bis(di‐tert‐butylphosphino)ethane, whose reactivity has been examined using nickel. Together, the pairing of nickel and boron provides a platform that allows for the cooperative coordination of organonitriles, giving unusual examples of intermolecularly bound dinickelacycles.
Mathematical modelling of enzymatically cross‐linked polymer–phenol conjugates using deterministic and stochastic methods
Authors: Karageorgos Filippos F. , Vasileiadou Athina C. , Kiparissides Costas 
Published: December 2022

AbstractIn this study, two different modelling approaches, namely, a deterministic and a stochastic one, are developed to model the enzymatic cross‐linking of polymer–phenol conjugates. A comprehensive kinetic mechanism is postulated to describe the elementary reactions in the cross‐linking of polymer–phenol chains in the presence of the horseradish peroxidase (HRP)–H2O2 initiation system. In the first approach, a moments‐based model is derived to account for the conservation of all molecular species and leading moments of the number chain length distribution (NCLD) in the reactive system. In the second approach, a stochastic Monte Carlo kinetic model is formulated to follow the time evolution of a sample of cross‐linkable polymer chains and calculate the weight chain length distribution (WCLD). From the numerical solutions of both models, the dynamic evolution of the concentrations of all the reactive species, the gelation onset time, the sol and gel mass fractions as well as the number and weight average molecular weights of the cross‐linkable polymer chains are calculated. The two derived models are validated using experimental kinetic measurements on the enzymatic cross‐linking of tyramine‐modified hyaluronic acid and carboxymethyl‐chitin. It is shown that both models can accurately predict the gelation onset time of the two cross‐linkable systems over a wide range of variations in HRP and H2O2 concentrations. Finally, the MC model predictions on the weight average number of polymer chains in the cross‐linked molecules are compared to Flory's analytical solution on the tetrafunctional cross‐linking of polymer chains of uniform length.
Review and Perspective of Tailorable Metal‐Organic Framework for Enhancing Microwave Absorption
Authors: Miao Peng , Chen Juan , Chen Jianxin , Kong Jie , Chen Kai‐Jie 
Published: December 2022

Comprehensive SummaryMetal‐organic frameworks (MOFs) and their pyrolytic derivates, displaying diverse chemical compositions and microstructures, provide the infinite potential for preparing high‐performance microwave absorption materials (MAMs) and have attracted extensive attention. In this review, we systematically reviewed the recent progress of MOF‐based MAMs, including three types of MOF‐based MAMs (MOF‐derived metal/carbon nanocomposites, MOF‐based hybridization materials and conductive MOF). Besides that, the microwave absorption properties and their related physical and chemical appearance were also analyzed. On behalf of synergistic effects between microstructures, dielectric components and magnetic response, the MOF‐based MAMs show excellent microwave absorption performance, which is superior to that of traditional single metal, metal alloy and pure carbon‐based MAMs. Furthermore, the novel conductive MOF with tunable electrical conductivity shows great potential in MAMs due to the fact that it can dramatically simplify the synthesis process.
Establishment of a 3D co‐culture model to investigate the role of primary fibroblasts in ductal carcinoma in situ of the breast
Authors: Sourouni Marina , Opitz Carl , Radke Isabel , Kiesel Ludwig , Tio Joke , Götte Martin , von Wahlde Marie‐Kristin 
Published: December 2022

AbstractBackgroundDuctal carcinoma in situ (DCIS) is a precursor form of breast cancer. 13%–50% of these lesions will progress to invasive breast cancer, but the individual progression risk cannot be estimated. Therefore, all patients receive the same therapy, resulting in potential overtreatment of a large proportion of patients.AimsThe role of the tumor microenvironment (TME) and especially of fibroblasts appears to be critical in DCIS development and a better understanding of their role may aid individualized treatment.Methods and resultsPrimary fibroblasts isolated from benign or malignant punch biopsies of the breast and MCF10DCIS.com cells were seeded in a 3D cell culture system. The fibroblasts were cultured in a type I collagen layer beneath a Matrigel layer with MCF10DCIS.com cells. Dye‐quenched (DQ) fluorescent collagen I and IV were used in collagen and Matrigel layer respectively to demonstrate proteolysis. Confocal microscopy was performed on day 2, 7, and 14 to reveal morphological changes, which could indicate the transition to an invasive phenotype.MCF10DCIS.com cells form smooth, round spheroids in co‐culture with non‐cancer associated fibroblasts (NAFs). Spheroids in co‐culture with tumor‐associated fibroblasts (TAFs) appear irregularly shaped and with an uneven surface; similar to spheroids formed from invasive cells. Therefore, these morphological changes represent the progression of an in situ to an invasive phenotype. In addition, TAFs show a higher proteolytic activity compared to NAFs. The distance between DCIS cells and fibroblasts decreases over time.ConclusionThe TAFs seem to play an important role in the progression of DCIS to invasive breast cancer. The better characterization of the TME could lead to the identification of DCIS lesions with high or low risk of progression. This could enable personalized oncological therapy, prevention of overtreatment and individualized hormone replacement therapy after DCIS.
Temporal intensity modeling of sub‐events in microblogs
Authors: Vijayakumar Angel Petricia , Rajam V. Mary Anita 
Published: December 2022

SummarySocial media has evolved into a conventional source of obtaining and tracking news events in the digital world. Most news events constitute a flow of sub‐events, that are distinct and independent events, related to the same base news event. These sub‐events have the potential to alter the course of the news event and also the emotional responses toward the news event entirely. Discovering the intensity of user attention toward sub‐events at set points of time, aids in modeling the evolution of sub‐events and consecutively, the news event as a whole. This work proposes two methodologies for day‐to‐day temporal analysis of sub‐events: a top‐down approach based on the significance of hashtags and a bottom‐up approach based on the combined intensity of components such as hashtags and tweet content. In comparison, the approach based on the combined intensity of components proves very promising in representing the temporal intensity of sub‐events.
Parkinson's disease detection using sea lion shuffled shepherd optimization assisted deep maxout network
Authors: Ramaiyar Sundaram Mohana , Swamidason Iwin Thanakumar Joseph , Sarveshwaran Velliangiri 
Published: December 2022

SummaryWhen compared to a cloud‐based application, fog computing allows the doctor to make better decisions in an emergency and also helps secure personal data with less latency. Parkinson's disease (PD) is a kind of brain illness, which causes stiffness, shaking, trouble in walking, talking, and so on. There is various detection techniques have been invented by researchers previously, but less accuracy is a major drawback. The main purpose of this research is the effective PD detection by the progression of optimized deep maxout network (DMN), namely, sea lion shuffled shepherd optimization (SLnSSOA)‐based DMN. Here, the developed method involves fog nodes, blockchain (BC), cloud, medical analyzer, and so on. The input data, which comes from the cloud is sent to the preprocessing phase, where data normalization is used to process it. Additionally, SLnSSOA, a combination of the sea lion optimization algorithm (SLnO) and the shuffled shepherd optimization (SSOA), is used to classify diseases using DMN, where the parameters are trained using SLnSSOA. Moreover, this technique provides an improved classification outcome. The developed method attains maximum testing accuracy of 0.908, sensitivity of 0.930, and specificity of 0.875.
Clumped isotope analysis of zoned calcite cement, Carboniferous, Isle of Man
Authors: Dickson John Anthony Dawson , Hodell David A. , Swart Peter K. , Lu Chaojin , Mleneck‐Vautravers Maryline J. , Rolfe James E. 
Published: December 2022

AbstractSequential analyses of δ13C, δ18O and Δ47 values of calcite and dolomite deposited in millimetre‐sized cavities are reported from the Ronaldsway Member packstones, Isle of Man. The Ronaldsway brachiopods have δ13C values of ca +2.3‰ and δ18O values of ca −7.2‰; carbon is like predicted Carboniferous values, while oxygen values are more negative. The brachiopods show preserved microstructure but have marginal alteration and a streaky cathodoluminescence pattern. Crinoid ossicles have δ13C values of ca +2.3‰ and one with a δ18O value of ca −3.1‰, compatible with Carboniferous marine precipitates; three samples have δ18O values of ca −6.5‰ and are 18O‐depleted. Calcite stages 1 and 2 have δ13C values ca +3.2‰ and δ18O values ca −2.5‰, compatible with Carboniferous sea water. Stage 1 and 2 have non‐luminescent to orange CL zones. Stage 1 and early stage 2 contain red luminescent dolomite micro crystals generated during Mg calcite stabilisation. The Δ47 values for stage 1 and 2 cements indicate temperatures of 86 and 105°C that occurred after the stabilisation of Mg calcite. Stage 3–8 zoned cements preserve their original growth surfaces and their δ13C and δ18O values suggest precipitation during burial and exhumation. The Δ47 values of the brachiopods and crinoids indicate temperatures between 85 and 140°C indicating they were either recrystallised at high temperatures or affected by solid state reordering. To evaluate these alternatives two quantitative models, water–rock reaction and reordering models are performed. The allochems and cements are progressively altered by porewater towards the fluid‐buffered behaviour. The quantitative evaluation of calcite and dolomite solid‐state reordering suggests the elevated clumped isotopic temperatures are produced by interaction with hydrothermal fluids. This study improves understanding by applying previously untried techniques; further Δ47 data and quantifying elemental variations would help further interpretation but the poorly documented post‐depositional history is a drawback.
Differences in initial abundances reveal divergent dynamic structures in Gause's predator–prey experiments
Authors: Mühlbauer Lina Kaya , Harpole William Stanley , Clark Adam Thomas 
Published: December 2022

AbstractImproved understanding of complex dynamics has revealed insights across many facets of ecology, and has enabled improved forecasts and management of future ecosystem states. However, an enduring challenge in forecasting complex dynamics remains the differentiation between complexity and stochasticity, that is, to determine whether declines in predictability are caused by stochasticity, nonlinearity, or chaos. Here, we show how to quantify the relative contributions of these factors to prediction error using Georgii Gause's iconic predator–prey microcosm experiments, which, critically, include experimental replicates that differ from one another only in initial abundances. We show that these differences in initial abundances interact with stochasticity, nonlinearity, and chaos in unique ways, allowing us to identify the impacts of these factors on prediction error. Our results suggest that jointly analyzing replicate time series across multiple, distinct starting points may be necessary for understanding and predicting the wide range of potential dynamic types in complex ecological systems.
Evolution of Graphene Supported RuN (N=1–4) Clusters in CO Atmosphere: A First‐Principles Investigation
Authors: Wu Yong , Guo Huimin , Liu Xin , Meng Changgong 
Published: December 2022

AbstractWe investigated the evolution of Ru clusters containing 1–4 atoms supported on graphene in CO atmosphere with extensive first principle‐based calculations. Exothermic CO adsorption induces gradual structure reorganization and change of the Ru−Ru, Ru‐graphene, and Ru‐CO interactions within these Ru carbonyls. The upper limits of CO on a surface of Ru cluster are 3, 6, 10 and 12 for Ru1, Ru2, Ru3 and Ru4, respectively. The further CO adsorption enhances steric hindrance at the Ru‐graphene interface that finally leads to release of undercoordinated Ru carbonyls into gas phase. Competing with the CO adsorption and sintering of Ru species for better thermostability, disintegration of multinuclear surface Ru carbonyls to atomically dispersed Ru species on graphene is still feasible. The current findings bring more insights into the evolution and interconversion of Ru carbonyls in a CO atmosphere and may help to understand the superior performance of heterogeneous transition metal catalysts in operation conditions.
Sleep architecture in drug‐naïve adult patients with epilepsy: Comparison between focal and generalized epilepsy
Authors: Calvello Carmen , Fernandes Mariana , Lupo Clementina , Maramieri Elena , Placidi Fabio , Izzi Francesca , Castelli Alessandro , Pagano Andrea , Mercuri Nicola Biagio , Liguori Claudio 
Published: December 2022

AbstractObjectiveSleep impairment is one of the most common comorbidities affecting people with epilepsy (PWE). The bidirectional relation between epilepsy and sleep has been widely established. Several studies investigated subjective sleep quality and daytime vigilance in PWE, highlighting frequent complaints of sleep fragmentation, difficulties in falling asleep, and daytime sleepiness. The present study aimed to evaluate sleep structure in drug‐naive PWE, distributed on the basis of epilepsy type, and compared with controls.MethodsThis observational study included adult patients newly diagnosed with epilepsy and drug‐naive as well as a control group of healthy subjects. All PWE and controls underwent a dynamic 24‐h EEG with signals for sleep recording to evaluate sleep architecture, structure, continuity, and fragmentation.ResultsTwenty‐four PWE were included and distributed in two groups based on epilepsy type. Eleven patients were included in the generalized epilepsy group (63.6% male; 34.91 ± 9.80 years) and 13 patients in the focal epilepsy group (53.8% male; 38.69 ± 12.74 years). The control group included 16 subjects (56.3% male; 32.75 ± 12.19 years). Patients with generalized or focal epilepsy had a significantly lower sleep efficiency than controls. Moreover, both patient groups presented the alteration of markers of sleep fragmentation and loss of continuity, with higher indices of sleep stage transitions and arousal. Finally, the two patient groups presented less REM sleep than controls.SignificanceThis study highlighted the alteration of sleep quality, continuity, and stability in both patients with focal or generalized epilepsy compared with controls, also in the absence of ictal events. This sleep impairment resulted in the reduction of REM sleep. Therefore, these findings may be explained by the increase in awakenings and sleep stage shifts, which may be attributed to both sleep networks impairment and neurotransmission dysfunction in PWE, and also possibly triggered by paroxysmal interictal abnormalities.
Microbial peroxide‐producing cell coupled in‐situ enzymatic depolymerization for lignin biorefinery
Authors: Mukhopadhyay Dhruva , Sharma Rakesh Kumar , Gupta Pratima 
Published: December 2022

AbstractLignin is one of the most versatile and complex macromolecules, which can be converted to value‐added products such as p‐coumaric acid and vanillin upon depolymerization. The current work explored oxidative lignin depolymerization in a microbial peroxide‐producing cell containing manganese peroxidase enzymes. A double‐chambered microbial peroxide‐producing cell was constructed containing the immobilized manganese peroxidase on alginate beads in the cathode chamber, while the anodic chamber contained wastewater. This setup was run for 8 days after the addition of lignin in the catholyte. The voltage measured in the circuit was 0.491 V while the current and power densities were 223 µA/cm2 and 110 µW/cm2, respectively on the 8th day of the experiment. The maximum H2O2 concentration observed was 1.5 mM on the 6th day. Depolymerization of lignin was confirmed by the change in the significant peaks at 280 nm of the ultraviolet‐visible spectrum. A change in the signature regions of β‐β linkages and β‐O‐4 linkages in the Fourier‐transform infrared spectrum was also observed. Liquid chromatography–quadrupole time of flight–mass spectrometry analysis revealed the presence of compounds including isoeugenol, acetovanillone, methacrylic acid, phenamacril, diofenolan, and jasmolin identified as the product of lignin depolymerization.
Fluorocyclisation of Oximes to Isoxazolines Through I(I)/I(III) Catalysis
Authors: Neufeld Jessica , Daniliuc Constantin G. , Gilmour Ryan 
Published: December 2022

AbstractA regioselective fluorocyclisation of β,γ‐unsaturated oximes through I(I)/I(III) catalysis is disclosed to generate 5‐fluoromethylated isoxazolines. The transformation leverages p‐iodotoluene as an inexpensive catalyst, Selectfluor® as the terminal oxidant and an amine⋅HF complex (1 : 7.5) as both the fluoride and Brønsted acid source. The λ3‐iodane p‐TolIF2, which is generated in situ, engages the pendant alkene of the substrate to facilitate a cyclisation/fluorination sequence. A range of 5‐fluoromethyl isoxazolines can be generated using this method, including aliphatic and aromatic systems (up to 56 % yield). Single crystal X‐ray analysis of a representative example reveals a conformation that is consistent with the stereoelectronic gauche effect between the exocyclic C(sp3)−F bond and the C(sp3)−O of the isoxazoline (ϕOCCF=−62.0°).