bluuebunny/crossref_metadata_2025_split huggingface dataset:
Extended conditional trend analysis: Predicting triple period buyer flows with a tri‐variate NBD model
Authors: Trinh Giang , Dawes John , Wright Malcolm J. , Danenberg Nick , Sharp Byron 
Published: July 2021

AbstractMarketers are interested in the loyalty of their customer base. Increasingly this includes examining behavioural loyalty inferred from the frequency or weight of purchase. A typical approach is to divide the customer base into arbitrary segments based on weight of purchase and then attempt to move customers from lighter to heavier segments, rather than have them reduce purchasing or cease buying altogether. Effects can be monitored by examining how purchasing by groups of individuals evolves over successive periods. However, much of the flow between segments represents random fluctuations in period‐to‐period purchasing rather than true change to underlying loyalty. Accurate analysis requires true change to be separated from these stochastic changes, for example through benchmarks derived from conditional trend analysis (CTA). While CTA considers the two‐period case, it provides no guidance for changes seen across three‐periods. The three‐period case is nonetheless regularly reported by panel companies and relied on by managers. We therefore develop the three‐period CTA, using a tri‐variate NBD, to allow the analysis of buyer flow across three successive periods. We provide an empirical illustration and demonstrate fresh insights into the evolution of consumer loyalty. The findings allay oft‐raised concerns about supposedly ‘lost’ buyers, as perceived customer loss is often simply regression to the mean of the buying rates. Accordingly, the three‐period CTA shows predictable proportions of buyers who move between different buying‐weight segments, including first‐year buyers who were apparently ‘lost’ in the second year but return to buy the brand in the third year.
A review of carbon dots and their composite materials for electrochemical energy technologies
Authors: Liu Yiming , Roy Swagata , Sarkar Samrat , Xu Jiaqiang , Zhao Yufeng , Zhang Jiujun 
Published: July 2021

AbstractCarbon dots (CDs) and their composites as energy storage materials and electrocatalysts have emerged as new types of quasi‐zero‐dimensional carbon materials. CDs can provide a large specific surface area, numerous electron–electron hole pairs, adjustable heteroatom doping, rich surface functional groups, and so on. However, the roles and functional mechanisms of CDs and their composite materials in the enhancement of electrochemical performance remain unclear and need to be understood in depth. Based on the most recent literature, this paper comprehensively reviews the synthesis methods and applications of various categories of CDs and their composites as electrode materials of supercapacitors, lithium‐ion batteries, sodium‐ion batteries, and potassium‐ion batteries, and as electrocatalysts for hydrogen evolution, oxygen evolution, and oxygen reduction reactions in metal–air batteries, fuel cells, and water electrolysis. To facilitate further research and development, several important aspects related to CDs and their composite materials are summarized with analysis of the technical challenges in practical applications and discussion of the possible development perspectives.
Determining the Diastereoselectivity of the Formation of Dipeptidonucleotides by NMR Spectroscopy
Authors: Doppleb Olivia , Bremer Jennifer , Bechthold Maren , Sánchez Rico Carolina , Göhringer Daniela , Griesser Helmut , Richert Clemens 
Published: July 2021

AbstractProteins are composed of l‐amino acids, but nucleic acids and most oligosaccharides contain d‐sugars as building blocks. It is interesting to ask whether this is a coincidence or a consequence of the functional interplay of these biomolecules. One reaction that provides an opportunity to study this interplay is the formation of phosphoramidate‐linked peptido RNA from amino acids and ribonucleotides in aqueous condensation buffer. Here we report how the diastereoselectivity of the first peptide coupling of the peptido RNA pathway can be determined in situ by NMR spectroscopy. When a racemic mixture of an amino acid ester was allowed to react with an 5′‐aminoacidyl nucleotide, diastereomeric ratios of up to 72 : 28 of the resulting dipeptido nucleotides were found by integration of 31P‐ or 1H‐NMR peaks. The highest diastereomeric excess was found for the homochiral coupling product d‐Ser‐d‐Trp, phosphoramidate‐linked to adenosine 5′‐monophosphate with its d‐ribose ring. When control reactions with an N‐acetyl amino acid and valine methyl ester were run in organic solvent, the diastereoselectivity was found to be lower, with diastereomeric ratios≤62 : 38. The results from the exploratory study thus indicate that the ribonucleotide residue not only facilitates the coupling of lipophilic amino acids in aqueous medium but also the formation of a homochiral dipeptide. The methodology described here may be used to search for other stereoselective reactions that shed light on the origin of homochirality.
First Synthesis of the Inherently Chiral Trans‐4′ Bisadduct of C59N Azafullerene by Using Cyclo‐[2]‐dodecylmalonate as a Tether
Authors: Asad Karam , Stergiou Anastasios , Kourtellaris Andreas , Tagmatarchis Nikos , Chronakis Nikos 
Published: July 2021

AbstractThe multiaddition chemistry of azafullerene C59N has been scarcely explored, and the isolation of pure bisadducts is in its infancy. Encouraged by the recent regioselective synthesis of the inherently chiral equatorialface bisadduct of C59N, we focused on the isolation of the first trans‐4 bisadduct in a simple two‐step approach. The first regioselective synthesis of the trans‐4 bisadduct of C59N by using cyclo‐[2]‐dodecylmalonate as a tether is now reported. The newly synthesized bisadduct has C1 symmetry, as evidenced by 13C NMR, while X‐ray crystallography validated the trans‐4′ addition pattern. Furthermore, the inherently chiral trans‐4′ C59N bisadduct was enantiomerically resolved, and the mirror‐image relation of the two enantiomers was probed by circular dichroism spectroscopy. Finally, UV‐Vis and redox assays suggested that the addition pattern has a reflection in the light‐harvesting and redox properties of the bisadduct.
Compliance with sentinel lymph node biopsy guidelines for invasive melanomas treated with Mohs micrographic surgery
Authors: MacArthur Kelly M. , Baumann Brian C. , Sobanko Joseph F. , Etzkorn Jeremy R. , Shin Thuzar M. , Higgins H. William , Giordano Cerrene N. , McMurray Stacy L. , Krausz Aimee , Newman Jason G. , Rajasekaran Karthik , Cannady Steven B. , Brody Robert M. , Karakousis Giorgos C. , Miura John T. , Cohen Justine V. , Amaravadi Ravi K. , Mitchell Tara C. , Schuchter Lynn M. , Miller Christopher J. 
Published: July 2021

BackgroundSentinel lymph node biopsy (SLNB) has not been studied for invasive melanomas treated with Mohs micrographic surgery using frozen‐section MART‐1 immunohistochemical stains (MMS‐IHC). The primary objective of this study was to assess the accuracy and compliance with National Comprehensive Cancer Network (NCCN) guidelines for SLNB in a cohort of patients who had invasive melanoma treated with MMS‐IHC.MethodsThis retrospective cohort study included all patients who had primary, invasive, cutaneous melanomas treated with MMS‐IHC at a single academic center between March 2006 and April 2018. The primary outcomes were the rates of documenting discussion and performing SLNB in patients who were eligible based on NCCN guidelines. Secondary outcomes were the rate of identifying the sentinel lymph node and the percentage of positive lymph nodes.ResultsIn total, 667 primary, invasive, cutaneous melanomas (American Joint Committee on Cancer T1a‐T4b) were treated with MMS‐IHC. The median patient age was 69 years (range, 25‐101 years). Ninety‐two percent of tumors were located on specialty sites (head and/or neck, hands and/or feet, pretibial leg). Discussion of SLNB was documented for 162 of 176 (92%) SLNB‐eligible patients, including 127 of 127 (100%) who had melanomas with a Breslow depth >1 mm. SLNB was performed in 109 of 176 (62%) SLNB‐eligible patients, including 102 of 158 melanomas (65%) that met NCCN criteria to discuss and offer SLNB and 7 of 18 melanomas (39%) that met criteria to discuss and consider SLNB. The sentinel lymph node was successfully identified in 98 of 109 patients (90%) and was positive in 6 of those 98 patients (6%).ConclusionsCombining SLNB and MMS‐IHC allows full pathologic staging and confirmation of clear microscopic margins before reconstruction of specialty site invasive melanomas. SLNB can be performed accurately and in compliance with consensus guidelines in patients with melanoma using MMS‐IHC.
Personalized 0D‐1D multiscale hemodynamic modeling and wave dynamics analysis of cerebral circulation for an elderly patient with dementia
Authors: Zhang Xiancheng , Liu Jia , Cheng Zaiheng , Wu Bokai , Xie Jian , Zhang Lin , Zhang Zhijun , Liu Hao 
Published: July 2021

AbstractSenile dementia is associated with pronounced alterations in cerebral circulation. A fundamental understanding of intracranial hemodynamics and wave dynamics is essential for assessing dementia risk. Recent findings suggest that higher carotid artery wave intensity (WI) can predict future cognitive impairments in the elderly. However, wave power (WP) is more advantageous for assessing the risk of cognitive impairment and dementia because of its conservative form, which allows quantification of detailed WP distribution among the entire cerebrovascular network. Unfortunately, intracranial hemodynamics and wave dynamics in elderly patients with dementia remain poorly understood due to ethical issues and technical challenges. In this paper, we proposed a novel and easily achievable personalized methodology for the 0D‐1D model of cerebral circulation using widely available clinical data on transcranial Doppler ultrasonography velocity, cerebral artery anatomy from magnetic resonance imaging, and brachial artery pressure. Using the proposed model, we simulated the cerebral blood flows and compared the wave dynamics between a healthy elderly subject and one living with dementia. Moreover, we performed a variance‐based global sensitivity analysis to quantify the model‐predicted WI and WP sensitivity to the uncertainties of model inputs. This provided more precise information for model personalization and further insights into the wave dynamics of cerebral circulation. In conclusion, the proposed personalized model framework provides a practical approach for patient‐specific modeling and WI/WP analysis of cerebral circulation through noninvasive clinical data. The wave dynamics features of higher WI and lower WP in cerebral arteries may be an invaluable biomarker for assessing dementia risk.
T‐cell replete haploidentical stem cell transplantation with low dose anti‐thymocyte globulin for relapsed/refractory Ewing sarcoma family tumors
Authors: Sano Hideki , Mochizuki Kazuhiro , Kobayashi Shogo , Ohara Yoshihiro , Takahashi Nobuhisa , Kudo Shingo , Ikeda Kazuhiko , Ohto Hitoshi , Kikuta Atsushi 
Published: July 2021

AbstractBackgroundDespite intensive multimodal therapies, the prognosis of relapsed/ refractory Ewing sarcoma family tumors (RR‐ESFTs) is dismal. Some case reports using allogeneic stem cell transplantation (allo SCT) for RR‐ESFTs have been reported, however, the efficacy of allo SCT is yet to be established.AimThe purpose of this study was to evaluate the response and toxicity of T‐cell replete haploidentical SCT (TCR‐haplo‐SCT) in RR‐ESFTs.Methods and resultsIn this study, we retrospectively analyzed six patients with RR‐ESFTs who received TCR‐haplo‐SCT. Four patients had relapsed and two patients had refractory Ewing sarcoma. Before the TCR‐haplo‐SCT, all patients received a reduced intensity‐conditioning regimen containing fludarabine, melphalan, and low‐dose rabbit anti‐thymocyte globulin (2.5 mg/kg), as well as graft‐versus‐host disease (GVHD) prophylaxis, which consisted of tacrolimus, methotrexate, and prednisolone. Primary neutrophil engraftment was achieved in all the patients. Four patients developed acute GVHD (aGVHD) (grade I, 1; grade II, 1; grade III, 2), and two patients developed chronic GVHD (cGVHD). Among the four that developed aGVHD, three survived for 14, 116, and 129 months without relapse, while one died due to a transplant‐related complication. In contrast, the two patients who did not develop aGVHD experienced relapse early after TCR‐haplo‐SCT.ConclusionsIn this study, three of the six patients with RR‐ESFTs survived for more than one year without relapse, and the treatment toxicity was considered acceptable even for patients who underwent high‐intensity pretreatment. TCR‐haplo‐SCT could be a potential therapeutic option for patients with RR‐ESFTs.
Discrimination of PHIP Signals Through their Evolution in Multipulse Sequences
Authors: Bussandri S. , Franzoni M. B. , Buljubasich L. , Acosta R. H. 
Published: July 2021

AbstractThe antiphase character of the PHIP associated signals after a hydrogenation reaction is particularly sensitive to line broadening introduced by magnetic field inhomogeneities and interferences by the presence of resonance lines steaming from a large amount of thermally polarized spins. These obstacles impose a limitation in the detection of reaction products as well as in the experimental setups. A simple way to overcome these impediments consists of acquiring the signal with a train of refocusing pulses instead of a single r.f. pulse. We present here a number of examples where this multipulse acquisition, denominated PhD‐PHIP, displays its potentiality in improving the information related to hyperpolarized spins performed in a sample, where the former parahydrogen nuclei are part of a complex J‐coupling network.
Interacting Quantum Atoms Analysis of the Reaction Force: A Tool to Analyze Driving and Retarding Forces in Chemical Reactions
Authors: Barrales‐Martínez César , Gutiérrez‐Oliva Soledad , Toro‐Labbé Alejandro , Pendás Ángel Martín 
Published: July 2021

AbstractThe analysis of the reaction force and its topology has provided a wide range of fruitful concepts in the theory of chemical reactivity over the years, allowing to identify chemically relevant regions along a reaction profile. The reaction force (RF), a projection of the Hellmann‐Feynman forces acting on the nuclei of a molecular system onto a suitable reaction coordinate, is partitioned using the interacting quantum atoms approach (IQA). The exact IQA molecular energy decomposition is now shown to open a unique window to identify and quantify the chemical entities that drive or retard a chemical reaction. The RF/IQA coupling offers an extraordinarily detailed view of the type and number of elementary processes that take reactants into products, as tested on two sets of simple reactions.
Assurance of corporate social responsibility reports: Examining the role of internal and external corporate governance mechanisms
Authors: García‐Sánchez Isabel‐María , Hussain Nazim , Khan Sana‐Akbar , Martínez‐Ferrero Jennifer 
Published: July 2021

AbstractThis article examines the effects of various internal (board independence, gender diversity, and specialized sustainability committee) and external (analysts' coverage and institutional ownership) corporate governance mechanisms on firms' decision to purchase external assurance for their corporate social responsibility (CSR) report. Using an international sample, we show that board diversity, the existence of a CSR committee, analysts' coverage, and institutional investors increase the probability of assuring a CSR report, while board independence decreases it. The findings further suggest that several configurations of these mechanisms complement each other in improving the credibility of nonfinancial disclosure through assurance. However, other configurations do not work in tandem, supporting the existence of substitution effects. Overall, bundling various governance mechanisms effectively could be more useful in formulating and implementing a corporate strategy than individual mechanisms.
Electrochemical Oxidative Syntheses of NH‐Sulfoximines, NH‐Sulfonimidamides and Dibenzothiazines via Anodically Generated Hypervalent Iodine Intermediates
Authors: Kong Xianqiang , Lin Long , Chen Xiaohui , Chen Yiyi , Wang Wei , Xu Bo 
Published: July 2021

AbstractHerein, we report a general method for the synthesis of NH‐sulfoximines and NH‐sulfonimidamides through direct electrochemical oxidative catalysis involving an iodoarene(I)/iodoarene(III) redox couple. In addition, dibenzothiazines can be synthesized from [1,1′‐biaryl]‐2‐sulfides under standard conditions. Notably, only a catalytic amount of iodoarene is required for the generation in situ of an active hypervalent iodine catalyst, which avoids the need for an excess of a hypervalent iodine reagent relative to conventional approaches. Moreover, this protocol features broad substrate scope and wide functional group tolerance, delivering the target compounds with good‐to‐excellent yields even for a scale of more than 10 g.
RNA sequencing identifies global transcriptional changes in peripheral CD4+ cells during active oesophagitis and following epicutaneous immunotherapy in eosinophilic oesophagitis
Authors: Ruffner Melanie A , Zhang Zhe , Maurer Kelly , Muir Amanda B , Cianferoni Antonella , Sullivan Kathleen E , Spergel Jonathan M 
Published: July 2021

AbstractObjectiveThere are no disease‐modifying therapies for the treatment of eosinophilic oesophagitis (EoE), which is driven by non‐IgE‐mediated allergic inflammation. A recent clinical trial of milk epicutaneous immunotherapy (EPIT) has shown initial promise, with 47% of treated EoE patients tolerating milk without recurrence of disease. Mechanisms of EPIT in EoE have not been studied in humans. Here, we identify transcriptional changes in the peripheral CD4+ T‐cell compartment during active EoE and following EPIT.MethodsRNA isolation, sequencing and integrative data analysis were performed on peripheral CD4+ T cells isolated from 15 of 20 patients enrolled in a clinical trial of EPIT for EoE. Gene expression changes in peripheral CD4+ T cells were examined during diet therapy and following trial of milk antigen EPIT.ResultsWe identify 244 differentially expressed genes in peripheral blood CD4+ cells of EoE patients consuming versus those eliminating milk, and 129 DEGs in CD4+ cells were isolated after EPIT versus after placebo (FDR ≤ 0.05). Gene set enrichment analysis identifies enrichment of hallmark interferon‐α and interferon‐γ response pathways in peripheral CD4+ T cells from EoE patients during active disease on a milk‐containing diet. We demonstrate overlap of this gene signature with the altered gene expression signature seen in EoE patient biopsy tissue. EPIT therapy response is associated with significant enrichment in pathways related to T‐cell receptor signalling (P = 1.16 × 10−14), antigen presentation and costimulation, and cytokine signalling (P = 1.11 × 10−16), as well as upregulation of genes associated with regulatory T‐cell function.ConclusionsEoE is associated with distinct global transcriptional changes in CD4+ T cells, one feature of which is an IFN response signature. Clinically favorable response to EPIT is likely multifactorial but is associated with a distinct transcriptional profile in peripheral CD4+ cells supporting the hypothesis that EPIT alters peripheral CD4+ responses in EoE patients.
Impact of stress and parenting on respiratory sinus arrythmia trajectories in early adolescence
Authors: Lisitsa Ellie , Bolden China R. , Johnson Benjamin D. , Mezulis Amy H. 
Published: July 2021

AbstractThe effects of stress and parenting on 1‐year trajectories of physiological emotion regulation capacity among adolescents were examined. Consistent with the vulnerability‐stress and allostatic load models, stress (chronic family and marital) was hypothesized to be associated with less favorable trajectories of basal respiratory sinus arrhythmia (RSA) over 1 year. This relationship was further hypothesized to be moderated by parenting practices (warmth, neglect, and rejection) and adolescent sex. Participants included 150 adolescents (51.3% female), 11–15 years of age (M = 13.04, SD = 0.89). Basal RSA and stress were assessed four times across 1 year. Results indicated a significant decrease in RSA over the course of 1 year (β = −0.15, p = .010). Warm parenting style was associated with lower RSA in environments of low marital stress and was also related with higher RSA in environments of high marital stress (β = 0.86, p = .021). Rejecting parenting styles were associated with higher RSA in environments of low family stress and lower RSA in environments of high family stress (β = −0.60, p = .014). These findings may be explained by the Yerkes–Dodson law of optimal stress, suggesting that sufficient environmental challenge is needed to catalyze regulatory development.
Environmental DNA‐derived pathogen gene sequences can expand surveillance when pathogen titers are decoupled in eDNA and hosts
Authors: Kaganer Alyssa W. , Nagel Leah D. , Youker‐Smith Tess E. , Bunting Elizabeth M. , Hare Matthew P. 
Published: July 2021

AbstractEnvironmental DNA (eDNA) collection has emerged as a powerful and noninvasive wildlife population and pathogen‐monitoring tool. Ranavirus is an emerging pathogen linked to die‐offs in amphibian species. Applications of eDNA detection for ranavirus surveillance have shown promise, but it is unclear how reliably eDNA represents viral pressure on host populations. We evaluated the relationship of ranavirus titers in hosts and eDNA in four New York vernal pools from May to October 2016. We compared ranavirus titers in aquatic eDNA samples (n = 562) and liver samples (n = 362) of wood frog (Lithobates sylvaticus) and green frog (Lithobates clamitans) larvae from pools with past ranavirus die‐offs. We detected low‐quantity Ranavirus DNA (<Log10 0.7 copies) in larval liver samples from two pools but observed no signs of clinical disease or die‐offs in any frog population. Despite low ranavirus quantities in hosts, we observed sustained moderate titers of Ranavirus eDNA in all pools with peak titers (<Log10 3 copies/ml) occurring after observed host infections. We identified the viral strain in the pool network, compared viral populations between host and environment, and identified longitudinal genetic changes in the virus by assembling five complete viral gene sequences from host and eDNA samples collected in 2016 and archived host samples from a past outbreak. The Ranavirus at this site was closely related to both Frog Virus 3 (FV3) reference isolate and FV3—Spotted Salamander—Maine isolate. We identified polymorphisms in 2016 host‐derived Ranavirus sequences that were rare in 2016 eDNA‐derived gene sequences and absent from archived host sequences, suggesting that ranavirus in resident hosts has changed over time within our field site and is not the primary source of Ranavirus DNA detected in environmental samples. We therefore suggest that vernal pools may function as catchment basins of eDNA from surrounding uplands.