bluuebunny/crossref_metadata_2025_split huggingface dataset:
α‐Aryl‐β,β‐Ditosyloxy Ketones as Versatile Precursors: Convenient, Direct, Metal‐free and Regioselective Synthesis of 4,5‐Diaryl/1,4,5‐Triaryl Pyrazoles
Authors: Kumar Ravinder , Kamal Raj , Kumar Vipan 
Published: September 2022

AbstractThe present study demonstrate the synthetic applications of α‐aryl‐β,β‐ditosyloxy ketones 3 as 1,3‐dielectrophilic three carbon atom versatile precursors to synthesize scarcely underexplored 4,5‐diaryl/1,4,5‐triaryl pyrazoles as small aza‐heterocycles. The exact regiochemistry around pyrazole nucleus has been confirmed by single crystal XRD analysis along with spectroscopic data (1H & 13C‐NMR, IR) and HRMS analysis. The single crystal‐XRD analysis exposed that, crystallization of 4,5‐diaryl pyrazoles 5 b in trigonal systems with R‐3 space group. The strategy was found advantageous especially owing to (i) operationally simplicity of procedure (ii) high regioselectivity (iii) less reaction timing (iv) versatile reactivity due to presence of two p‐toluenesulfonyloxyl groups which behaves as excellent leaving group as well as electron withdrawing group. Additionally, we conjectured that present methodology can broaden the aspects of synthetic chemistry in ongoing medicine chemistry programs for designing and synthesis of regioisomeric analogues of some well‐recognised drugs like celecoxib.
Myopia rates among Hadza hunter‐gatherers are low but not exceptional
Authors: Stibbard‐Hawkes Duncan N. E. , Apicella Coren L. 
Published: September 2022

AbstractObjectivesMyopia rates are increasing globally. This epidemic is linked to increased school participation, decreased outdoor activity and the proliferation of near‐work occupations. The Tanzanian Hadza have traditionally subsisted as hunter‐gatherers. School participation has historically been low and near‐work otherwise minimal. Previous studies have reported exceptionally low myopia rates among hunter‐gatherers, though such studies are few. The present study aims to expand this dataset. We report Hadza myopia rates and compare them to those from other economic/subsistence niches. We look for temporal changes in eyesight, in line with changing Hadza subsistence. Further, we assess the impact two known myopia risk factors, gender and educational participation, on Hadza eyesight.Materials and MethodsWe measured visual acuity among 182 bush‐living Hadza aged 10–75 using a non‐Latin optotype. From these measures, we estimate age‐specific myopia prevalences.ResultsWe find age‐specific myopia prevalences between 5% and 10% for individuals under 40, increasing thereafter. This is low compared to industrialized populations, although not atypical for rural and non‐industrialized populations. Unlike previous studies of hunter‐gatherers, myopia was not exceptionally rare. We find that Hadza men have better distance vision than Hadza women. Though the Hadza have experienced subsistence change, we find no statistical evidence of associated decreases in visual acuity between 2006 and 2013/14 after controlling for gender imbalances. Finally, we find no support for our prediction that schooling participation reduces visual acuity, though so few attended school (13 of 58) that this analysis lacked statistical power and probably represents a false negative.
Modeling and estimating kinetic parameters for CO2 methanation from fixed bed reactor experiments
Authors: Tsuboi Toshiki , Yasuda Shoya , Choi Cheolyong , Zhang Wei , Machida Hiroshi , Norinaga Koyo , Yajima Tomoyuki , Kawajiri Yoshiaki 
Published: September 2022

AbstractCO2 methanation, which converts CO2 and hydrogen into methane as fuel, is one of the promising candidates for the development of CO2 utilization technologies. Recently, a highly active catalyst made of Ni/ZrO2 for methanation has been developed, and is currently investigated as a potential use in a high‐performance reactor. However, design of reactor must be carried out carefully, since this reaction is highly exothermic, which may cause reactor runaway and deterioration of catalysts. For this problem, a mathematical model that can predict the behavior inside the reactor is necessary. In this work, we consider the methanation reaction of CO2 in a reactor model and estimate the kinetic parameters in the reaction rate model from experimental data. In the parameter estimation using literature values and Tikhonov regularization, eight kinetic parameters in the rate equations were identified from 64 data points with a wide range of conditions. We confirm that molar fractions at the reactor exit predicted by this reactor model are in good agreement with the experimental results. Furthermore, the developed model was validated to predict the compositions and temperature that were not used in the estimation. We expect the developed model will be a powerful tool for the reactor design.
Association of Presynaptic Loss with Alzheimer's Disease and Cognitive Decline
Authors: Lan Guoyu , Cai Yue , Li Anqi , Liu Zhen , Ma Shaohua , Guo Tengfei ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: September 2022

ObjectiveIncreased presynaptic dysfunction measured by cerebrospinal fluid (CSF) growth‐associated protein‐43 (GAP43) may be observed in Alzheimer's disease (AD), but how CSF GAP43 increases relate to AD‐core pathologies, neurodegeneration, and cognitive decline in AD requires further investigation.MethodsWe analyzed 731 older adults with baseline β‐amyloid (Aβ) positron emission tomography (PET), CSF GAP43, CSF phosphorylated tau181 (p‐Tau181), and 18F‐fluorodeoxyglucose PET, and longitudinal residual hippocampal volume and cognitive assessments. Among them, 377 individuals had longitudinal 18F‐fluorodeoxyglucose PET, and 326 individuals had simultaneous longitudinal CSF GAP43, Aβ PET, and CSF p‐Tau181 data. We compared baseline and slopes of CSF GAP43 among different stages of AD, as well as their associations with Aβ PET, CSF p‐Tau181, residual hippocampal volume, 18F‐fluorodeoxyglucose PET, and cognition cross‐sectionally and longitudinally.ResultsRegardless of Aβ positivity and clinical diagnosis, CSF p‐Tau181‐positive individuals showed higher CSF GAP43 concentrations (p < 0.001) and faster rates of CSF GAP43 increases (p < 0.001) compared with the CSF p‐Tau181‐negative individuals. Moreover, higher CSF GAP43 concentrations and faster rates of CSF GAP43 increases were strongly related to CSF p‐Tau181 independent of Aβ PET. They were related to more rapid hippocampal atrophy, hypometabolism, and cognitive decline (p < 0.001), and predicted the progression from MCI to dementia (area under the curve for baseline 0.704; area under the curve for slope 0.717) over a median 4 years of follow up.InterpretationTau aggregations rather than Aβ plaques primarily drive presynaptic dysfunction measured by CSF GAP43, which may lead to sequential neurodegeneration and cognitive impairment in AD or neurodegenerative diseases. ANN NEUROL 2022;92:1001–1015
Nonlinear Wave Molecules for the Lakshmanan–Porsezian–Daniel Equation in Nonlinear Optics and Biology
Authors: Zhou Shuo , Wang Lei , Zhao Jun‐Fei , Sun Wen‐Rong 
Published: September 2022

AbstractThe nonlinear wave molecules of the Lakshmanan–Porsezian–Daniel (LPD) equation describing the propagation of ultrashort optical pulses through optical fibers and Davydov soliton in α‐helical proteins are investigated. Based on the analysis of characteristic lines, the breather molecules consisting of two, three, or even four different breather atoms are derived, and the synthesis modes of molecules by adjusting the values of the phase parameters are generated. The state conversion of the breather molecules is studied and a variety of converted wave molecules are produced. In particular, it is reported that the full conversion of the breather molecules does not exist in the LPD equation. The formation mechanisms of different types of nonlinear wave molecules through the nonlinear superposition are further explored and the influence of higher‐order effects on the breather molecules is discussed. Finally, the intricate interactions between the molecules and nonlinear waves are considered. It is found that the distances between atoms in the molecules as well as the shapes of the converted waves change after the interactions, and the essence of such shape‐changed interactions is revealed.
Tunable Mode Entanglement: Topological Su–Schrieffer–Heeger (SSH) Chain with an Embedded Aharonov–Bohm Quantum Ring
Authors: Garrido Alejandro Patricio , Plastino Ángel Ricardo , de Guevara María Loreto Ladrón , Apel Víctor Marcelo 
Published: September 2022

AbstractA variant of the SSH model consisting of an SSH chain with an embedded Aharonov–Bohm quantum ring is investigated. The embedded ring gives rise to domain wall states whose energy levels are in the band gap. The dependence of some of the states on the ring's magnetic flux provides a mechanism to control the entanglement between the two SSH edge fermion modes. The concurrence between the edge modes depends periodically on the magnetic flux. In the deep topological zone, for appropriate values of the flux, the concurrence reaches the extreme values of 0 and 1, corresponding to vanishing entanglement and to maximum entanglement. Therefore, the QR‐SSH system offers a tuning mechanism that can be used either as an entanglement modulator or as an entanglement switch.
Highly Efficient and Selective Recognition of Dicyanoaurate(I) by a Bambusuril Macrocycle in Water
Authors: Rando Carola , Vázquez Julián , Sokolov Jan , Kokan Zoran , Nečas Marek , Šindelář Vladimír 
Published: September 2022

AbstractDicyanoaurate(I) anion, [Au(CN)2]−, plays a central role in the current industrial production of gold, as its extraction from crude ore samples represents the most money‐consuming step. Herein, we present the strongest host–guest recognition of dicyanoaurate anion using the bambusuril receptor in water, a highly competitive solvent. The micromolar stability of such a complex facilitated the up to date most efficient supramolecular stripping of dicyanoaurate from activated carbon at ambient temperature. Thermodynamic characteristics of bambusuril binding with [Au(CN)2]− differing from binding of other inorganic chaotropic anions are rationalized, as well as the bambusuril selectivity for [Au(CN)2]− over [Ag(CN)2]−.
One and Two‐Photon Excited Fluorescence Optimization of Metal–Organic Frameworks with Symmetry‐Reduced AIEgen‐Ligand
Authors: Wang Shi‐Cheng , Zhang Qiang‐Sheng , Wang Zheng , Zheng Lin , Zhang Xiao‐Dong , Fan Ya‐Nan , Fu Peng‐Yan , Xiong Xiao‐Hong , Pan Mei 
Published: September 2022

AbstractBy designing a tetraphenylethylene (TPE)‐based AIEgen‐ligand with reduced symmetry, we obtained two alkaline‐earth metal‐based MOFs (LIFM‐102 and LIFM‐103) with dense packing structures and low porosity as proved by single‐crystal X‐ray diffraction and CO2 sorption data. Excitingly, the desolvated MOFs with rigid environment and reduced lattice free solvent exhibit high quantum yields (QY, 64.9 % and 79.4 %) and excellent two‐photon excited photoluminescence (TPA cross‐sections, 2946.6 GM and 2899.0 GM), while maintaining the external‐stimuli‐responsive properties suitable for anticounterfeit fields. The effect of ligand conformation was validated by comparing the structure and fluorescence properties of the samples before and after desolvation and further verified by theoretical calculations. This work expands the study on TPE‐cored materials to symmetry‐reduced ligand and might bring forward novel structures and excellent photoluminescent properties in the future.
Ultrasmall Copper Nanoclusters in Zirconium Metal‐Organic Frameworks for the Photoreduction of CO2
Authors: Dai Shan , Kajiwara Takashi , Ikeda Miyuki , Romero‐Muñiz Ignacio , Patriarche Gilles , Platero‐Prats Ana E. , Vimont Alexandre , Daturi Marco , Tissot Antoine , Xu Qiang , Serre Christian 
Published: September 2022

AbstractEncapsulating ultrasmall Cu nanoparticles inside Zr‐MOFs to form core–shell architecture is very challenging but of interest for CO2reduction. We report for the first time the incorporation of ultrasmall Cu NCs into a series of benchmark Zr‐MOFs, without Cu NCs aggregation, via a scalable room temperature fabrication approach. The Cu NCs@MOFs core–shell composites show much enhanced reactivity in comparison to the Cu NCs confined in the pore of MOFs, regardless of their very similar intrinsic properties at the atomic level. Moreover, introducing polar groups on the MOF structure can further improve both the catalytic reactivity and selectivity. Mechanistic investigation reveals that the CuIsites located at the interface between Cu NCs and support serve as the active sites and efficiently catalyze CO2photoreduction. This synergetic effect may pave the way for the design of low‐cost and efficient catalysts for CO2photoreduction into high‐value chemical feedstock.
Surface Diffusion Aided by a Chirality Change of Self‐Assembled Oligomers under 2D Confinement
Authors: Bera Abhijit , Henkel Stefan , Mieres‐Perez Joel , Andargie Tsegaw Yetsedaw , Sanchez‐Garcia Elsa , Sander Wolfram , Morgenstern Karina 
Published: September 2022

AbstractChirality switching of self‐assembled molecular structures is of potential interest for designing functional materials but is restricted by the strong interaction between the embedded molecules. Here, we report on an unusual approach based on reversible chirality changes of self‐assembled oligomers using variable‐temperature scanning tunneling microscopy supported by quantum mechanical calculations. Six functionalized diazomethanes each self‐assemble into chiral wheel‐shaped oligomers on Ag(111). At 130 K, a temperature far lower than expected, the oligomers change their chirality even though the molecules reside in an embedded self‐assembled structure. Each chirality change is accompanied by a slight center‐of‐mass shift. We show how the identical activation energies of the two processes result from the interplay of the chirality change with surface diffusion, findings that open the possibility of implementing various functional materials from self‐assembled supramolecular structures.
Pedagogy of teaching with large datasets: Designing and implementing effective data‐based activities
Authors: O'Reilly Catherine M. , Josek Tanya , Darner Rebekka D. , Fortner Sarah K. 
Published: September 2022

AbstractIntegrating the use of large datasets into our teaching provides critical and unique opportunities to build students' skills and conceptual knowledge. Here, we discuss the core components needed to develop effective activities based on large datasets, which align with the 5E learning cycle. Data‐based activities should be structured around a relevant question, use authentic publicly accessible data, be scaffolded to include choice, and involve discussion of the results. It is important that the software that is used to manipulate, analyze and/or visualize the data is accessible for students. There are a range of strategies to reduce the barriers of working with large datasets through pre‐organizing and pre‐scripting code for analyses, using online cloud‐based versions of software, and reducing opportunities for error in syntax. Resources exist for learning open‐source software (e.g., Data Carpentry) as well as for support and professional development in teaching with large datasets (Project EDDIE).
Hackathons as extracurricular activities: Unraveling the motivational orientation behind student participation
Authors: Garcia Manuel B. 
Published: September 2022

AbstractThe education sector is constantly progressing its competency paradigm by establishing a nexus between practical, theoretical, and technical dimensions of teaching and learning. In the modern age of education, hackathons are becoming increasingly prominent in providing an optimal academic environment that connects classroom learnings to real‐life scenarios. This study explored the motivational orientation behind student participation in hackathons through the framework provided by self‐determination theory. Specifically, it investigated the role of intrinsic and extrinsic motivations in encouraging initial and continuous hackathon participation. The partial least squares‐structural equation modeling method was used to analyze data collected from 437 students in 12 countries. According to the findings, although intrinsic motivation influences participation intention, extrinsic motivation drives continuance participation. When intrinsic and extrinsic motivational constructs were analyzed individually, it was found that continuance participation demands both motivational orientations. Comparisons of demographic characteristics indicate that older students with more extensive educational experience may have higher intentions to participate and continue participating in these events. This study offers insights into how the education sector can increase hackathon participation by tapping on students’ motivational orientation. From a methodological point of view, it is apparent to recommend the promotion of hackathons as a core extracurricular activity at a school level, and more indispensably, as pedagogy at a classroom level. In a world where students are encouraged to fail early, fast, and often, participating in hackathons is a tactical preparation for eventual success.
TNFAIP3 mutation is an independent poor overall survival factor for patients with T‐cell acute lymphoblastic leukemia
Authors: Chen Cunte , Zhou Lingling , Zhu Lihua , Luo Gengxin , Wang Liang , Zeng Chengwu , Zhou Hongsheng , Li Yangqiu 
Published: September 2022

AbstractBackgroundIt is imperative to explore potential biomarkers for predicting clinical outcome and developing targeted therapies for T‐cell acute lymphoblastic leukemia (T‐ALL). This study aimed to investigate the mutation patterns of tumor necrosis factor‐alpha‐inducing protein 3 (TNFAIP3, also known as A20) and its role in the prognosis of T‐ALL patients.MethodsPolymerase chain reaction (PCR) and Sanger sequencing data from T‐ALL (n = 49, JNU) and targeted sequencing data from T‐ALL (n = 54, NFH) in our clinical center and a publicly available dataset (n = 121, PRJCA002270), were used to detect TNFAIP3 mutation.ResultsThree TNFAIP3 single nucleotide polymorphisms (SNPs; g.3033 C > T, g.3910 G > A, and g.3904 A > G) were detected in T‐ALL in the JNU dataset, and g.3033 C > T accounted for the highest proportion, reaching 60% (6/10). Interestingly, TNFAIP3 mutation mainly occurred in adults but not pediatric patients in all three datasets (JNU, NFH, and PRJCA002270). T‐ALL patients carrying a TNFAIP3 mutation were associated with a trend of poor overall survival (OS) (p = 0.092). Moreover, TNFAIP3 mutation was also an independent factor for OS for T‐ALL patients (p = 0.008). Further subgroup analysis suggested that TNFAIP3 mutation predicted poor OS for T‐ALL patients who underwent chemotherapy only (p < 0.001), and it was positively correlated with high risk and early T‐cell precursor ALL (ETP‐ALL) in two independent validation datasets (NFH and PRJCA002270).ConclusionTNFAIP3 mutation mainly occurs in adult T‐ALL patients, and it was associated with adverse clinical outcomes for T‐ALL patients; thus, it might be a biomarker for prognostic stratification.
A case of COVID‐19‐associated fulminant myocarditis successfully treated with mechanical circulatory support
Authors: Asakura Ryosuke , Kuroshima Tatsuki , Kokita Naohiro , Okada Motoi 
Published: September 2022

AbstractA 49‐year‐old man, who had not been vaccinated against COVID‐19 visited the hospital for fever and cough, and a PCR test for COVID‐19 was positive on the Day X. Initially, there was no decrease in oxygen saturation and the patient was under observation as a mild case without medication. Five days after the onset (Day X + 5), chest pain appeared. Electrocardiogram showed widespread ST‐segment elevation, and blood tests showed high levels of troponin I. However, given that there was no stenotic lesion on coronary computed tomography, myocarditis was suspected, and he was transferred to our hospital on the Day X + 6. We started treatment with lemdesivir and dexamethasone. On the Day X + 7, the patient developed decreased left ventricular ejection fraction, hypotension, and hyperlactatemia. We decided that mechanical circulatory support was necessary and an Impella 5.0 was inserted under ventilator management. The patient was successfully weaned from the Impella 5.0 on the Day X + 17, was transferred to the general ward on the Day X + 24, continued rehabilitation, and was discharged home on the Day X + 39 with no heart failure symptoms. In this case, we performed daily bedside echocardiography and chose the Impella 5.0 instead of extra corporeal membrane oxygenation (ECMO) because there were no findings of severe pneumonia or right heart failure. The Impella 5.0 device was inserted via an axillary artery approach, given that it provides more assisted flow than the Impella CP inserted through the inguinal route. Furthermore, early rehabilitation was possible due to the lack of restriction of the lower body.
Relapse of Hodgkin's disease revealed by skin involvement
Authors: Abakarim Ouadii , Maghnouj Oumaima , Hamdaoui Abderrachid , Lahlimi Fatima Zahra , Tazi Illias 
Published: September 2022

AbstractWe present a case of a relapse of HL revealed by a skin involvement. A biopsy of the skin lesion showed infiltration by a mixed cellularity and Reed–Sternberg cells. The immunoreactivity was positive for CD30 and CD15. The patient was undergoing ICE protocol with good improvement after three cycles.
Tracheal necrosis following two‐stage thyroidectomy: A case report
Authors: Colvin Taylor , Selinsky Chris 
Published: September 2022

AbstractTracheal necrosis is a rare complication of a thyroidectomy, almost exclusively following the resection of invasive thyroid carcinoma with tracheal involvement. We report a case of delayed tracheal necrosis following a routine thyroidectomy for noninvasive papillary thyroid carcinoma likely secondary to a postoperative seroma. This complication was successfully managed with a temporary tracheostomy.
Salmonella infantis ulcerative keratitis in a dog
Authors: Routh Brayden L. , McCool Emily S. 
Published: September 2022

AbstractThis manuscript describes a previously unreported clinical case of Salmonella enterica serovar infantis associated with ulcerative keratitis in a dog. Local immunosuppression of the corneal surface likely contributed to this opportunistic infection. Antimicrobial therapy with topical ofloxacin, tobramycin, and systemic enrofloxacin was successful in resolving the infection.
Urticaria multiforme in an adolescent: A rare benign rash not to be ignored
Authors: Dupont Manon , Theunis Anne , Vanhooteghem Olivier 
Published: September 2022

AbstractUrticaria multiforme, first described in 1997, also called acute ring urticaria, is a clinical variant of acute urticaria. We relate the case of a 16‐year‐old adolescent with an extensive pruritic eruption of erythematous annular lesions of variable shapes, arciform, or polycyclic with an ecchymotic center. Urticaria multiforme is described in children aged from 4 months to 4 years, rarely in adolescents. As far as we know, this is the 4th case reported in the literature.
Neutrophilic dermatosis with necrobiotic changes as an unusual manifestation after the first shot of a COVID‐19 mRNA vaccine together with a high fever and liver injury
Authors: Iijima Shigeruko , Enami Chiaki , Sato Mikio , Tsunoda Takahiko , Otoyama Kazunobu 
Published: September 2022

AbstractCoronavirus disease 19 (COVID‐19) mRNA vaccines sometimes cause various skin rashes. We report an unusual case of erythema nodosum‐like nodules with vesicular and pustular papules, which arose after the first shot of a COVID‐19 mRNA vaccine. A skin biopsy showed marked neutrophilic infiltration with necrobiotic changes throughout the dermis and subcutis. Immunohistochemically, CD8+ cells were much more common than CD4+ cells in the dense neutrophilic infiltrates. Many CD68+ macrophages were present around the CD8+ cells. No cases of neutrophilic dermatosis with necrobiotic changes have been reported. Thus, our findings should be added to the cutaneous adverse effects of the vaccines.