bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Efficient Protocol for the Synthesis of Pyrazolo[1,5-c]quinazolines by a Staudinger–Aza-Wittig–Dehydroaromatization Sequence
Authors: Ren Zhilin , He Ping , Xu Mingxian , Chen An , Qiu Jiying , Zu Mingming , Zhang Yi , Wang Jiayi 
Published: August 2021

AbstractThe one-pot synthesis of azide-substituted dihydropyrazoles in isopropanol was performed by using chalcones, hydrazine hydrate, and an acyl chloride at 0 ℃. Subsequent Staudinger–aza-Wittig–dehydroaromatization reactions of the products with methyl(diphenyl)phosphine were also investigated for further application in the construction of pyrazolo[1,5-c]quinazolines.
Nickel Boride Catalyzed Reductions of Nitro Compounds and Azides: Nanocellulose-Supported Catalysts in Tandem Reactions
Authors: Dinér Peter , Proietti Giampiero , Prathap Kaniraj Jeya , Ye Xinchen , Olsson Richard T. 
Published: August 2021

AbstractNickel boride catalyst prepared in situ from NiCl2 and sodium borohydride allowed, in the presence of an aqueous solution of TEMPO-oxidized nanocellulose (0.01 wt%), the reduction of a wide range of nitroarenes and aliphatic nitro compounds. Here we describe how the modified nanocellulose has a stabilizing effect on the catalyst that enables low loading of the nickel salt pre-catalyst. Ni-B prepared in situ from a methanolic solution was also used to develop a greener and facile reduction of organic azides, offering a substantially lowered catalyst loading with respect to reported methods in the literature. Both aromatic and aliphatic azides were reduced, and the protocol is compatible with a one-pot Boc-protection of the obtained amine yielding the corresponding carbamates. Finally, bacterial crystalline nanocellulose was chosen as a support for the Ni-B catalyst to allow an easy recovery step of the catalyst and its recyclability for new reduction cycles.
Physician Perceptions on Quality of Life and Resuscitation Preferences for Extremely Early Newborns
Authors: LoRe Danielle , Mattson Christopher , Feltman Dalia M. , Fry Jessica T. , Brennan Kathleen G. , Arnolds Marin 
Published: August 2021

Objective The study aimed to explore physician views on whether extremely early newborns will have an acceptable quality of life (QOL), and if these views are associated with physician resuscitation preferences.
Study Design We performed a cross-sectional survey of neonatologists and maternal fetal medicine (MFM) attendings, fellows, and residents at four U.S. medical centers exploring physician views on future QOL of extremely early newborns and physician resuscitation preferences. Mixed-effects logistic regression models examined association of perceived QOL and resuscitation preferences when adjusting for specialty, level of training, gender, and experience with ex-premature infants.
Results A total of 254 of 544 (47%) physicians were responded. A minority of physicians had interacted with surviving extremely early newborns when they were ≥3 years old (23% of physicians in pediatrics/neonatology and 6% in obstetrics/MFM). The majority of physicians did not believe an extremely early newborn would have an acceptable QOL at the earliest gestational ages (11% at 22 and 23% at 23 weeks). The majority of physicians (73%) believed that having an extremely preterm infant would have negative effects on the family's QOL. Mixed-effects logistic regression models (odds ratio [OR], 95% confidence interval [CI]) revealed that physicians who believed infants would have an acceptable QOL were less likely to offer comfort care only at 22 (OR: 0.19, 95% CI: 0.05–0.65, p < 0.01) and 23 weeks (OR: 0.24, 95% CI: 0.07–0.78, p < 0.02). They were also more likely to offer active treatment only at 24 weeks (OR: 9.66, 95% CI: 2.56–38.87, p < 0.01) and 25 weeks (OR: 19.51, 95% CI: 3.33–126.72, p < 0.01).
Conclusion Physician views of extremely early newborns' future QOL correlated with self-reported resuscitation preferences. Residents and obstetric physicians reported more pessimistic views on QOL.
Key Points
Safety and Outcomes in Infants Born to Mothers Participating in Retosiban Treatment Trials: ARIOS Follow-up Study
Authors: Powell Marcy , Pimenta Jeanne M. , Beach Kathleen J. , Snidow Jerry , Saade George R. , Thornton Steve , Haque Nazneen , Miller Diane , Correa Erika Ochoa , Scott Rhona 
Published: August 2021

Objective Retosiban, an oxytocin receptor antagonist, was developed for treating spontaneous preterm labor (sPTL) in women with intact membranes. This ARIOS follow-up study aimed to characterize clinical safety, morbidity, and mortality of infants exposed to retosiban or comparator over 2 years.
Study Design ARIOS prospectively assessed outcomes in infants whose mothers received at least one dose of retosiban or comparator (placebo/atosiban) in two Phase 3 sPTL trials. Both trials were terminated prematurely owing to poor enrolment. Infants could be enrolled into ARIOS from 28 days after estimated due date until hospital discharge or up to 9 months (corrected age). An internally developed questionnaire detailing medical conditions, mortality and resource use (Child Health Inventory; CHI), Ages and Stages Questionnaire-3 (ASQ-3), Modified Checklist for Autism in Toddlers–Revised with Follow-Up, and Child Behavior Checklist for Ages 1.5 to 5 were completed remotely by parents or legal guardians at prespecified intervals. Serious adverse events (SAEs) were primarily captured via CHI. No comparative statistical analysis was conducted between treatment arms.
Results A total of 49 (86%) infants who had received retosiban and 49 (78%) infants who had received a comparator were enrolled in ARIOS. No deaths occurred during the study. Nine infants experienced SAEs: 6/49 (12.2%) infants in the comparators group and 3/49 (6.1%) in the retosiban group. Of the nine SAEs, seven were due to infections, three, and four in the retosiban and comparators groups, respectively. Based on ASQ-3 score, the incidence of neurodevelopmental delay at 18 and 24 months were 0/18 (0%) and 2/25 (8%) with retosiban and 7/22 (31.8%) and 3/21 (14.3%) with comparator, respectively.
Conclusion The current study showed no unexpected adverse outcome or impairment with retosiban based on safety monitoring and neurodevelopment assessments. No further follow-up is intended owing to the discontinuation of clinical development of retosiban.
Key Points
Inverse Regulation of Confluence-Dependent ADAMTS13 and von Willebrand Factor Expression in Human Endothelial Cells
Authors: Popa Miruna , Hecker Markus , Wagner Andreas H. 
Published: August 2021

AbstractADAMTS13 (a disintegrin and metalloproteinase with a thrombospondin type 1 motif, member 13) is a zinc-containing metalloprotease also known as von Willebrand factor (vWF)-cleaving protease. Low ADAMTS13 plasma levels are associated with an increased risk of arterial thrombosis, including myocardial infarction and cerebrovascular disease. The expression and regulation of this metalloprotease in human endothelial cells have not been systematically investigated. In this study, we demonstrate that ADAMTS13 expression is inhibited by proinflammatory cytokines tumor necrosis factor-α and interferon-γ as well as by CD40 ligand, which was hitherto unknown. Factors protecting against atherosclerosis such as exposure to continuous unidirectional shear stress, interleukin-10, or different HMG-CoA reductase inhibitors like, e.g., simvastatin, atorvastatin, or rosuvastatin, did not influence ADAMTS13 expression. Unidirectional periodic orbital shear stress, mimicking oscillatory flow conditions found at atherosclerosis-prone arterial bifurcations, had also no effect. In contrast, a reciprocal correlation between ADAMTS13 and vWF expression in endothelial cells depending on the differentiation state was noted. ADAMTS13 abundance significantly rose on both the mRNA and intracellular protein level and also tethered to the endothelial glycocalyx with the degree of confluency while vWF protein levels were highest in proliferating cells but significantly decreased upon reaching confluence. This finding could explain the anti-inflammatory and antithrombotic phenotype of dormant endothelial cells mediated by contact inhibition.
Colonoscopic Instillation of Coca-Cola for Evacuation of Large Fecaloma: A Report of Two Cases and Review of Literature
Authors: Seth Avnish Kumar , Gupta Mahesh Kumar , Bansal Rinkesh Kumar , Verma Radha Krishan , Kaur Gursimran 
Published: August 2021

Abstract
Introduction Fecaloma is a large mass of organized hardened feces causing impaction, usually in rectum and sigmoid colon. Medical management usually entails digital evacuation, use of clearance enema, and oral laxatives. We report two patients managed successfully with colonoscopic instillation of Coca-Cola and review the literature.
Case Report Patient 1: A 37-year-old male presented with firm, nontender, pitting mass over lower abdomen for 2 months and inability to pass stool for 1 month. Per-rectal examination and imaging confirmed presence of solid stool with gross distension of rectum and sigmoid colon. Attempts at clearance of stool with conventional methods were unsuccessful. At colonoscopy, 4 L of Coca-Cola was instilled into descending and sigmoid colon, leading to evacuation of 10 L of fragmented and liquid stool.Patient 2: A 72-year-old diabetic lady presented with constipation and tender, firm pelvic mass extending till mid-abdomen for 6 months. Per-rectal examination revealed presence of hard stool. Imaging confirmed large amount of fecal matter in dilated rectum, sigmoid, and descending colon. Attempts at evacuating stool with digital evacuation, sodium phosphate enema, and oral polyethylene glycol were unsuccessful. At colonoscopy, two sittings of instillation of 990 mL of Coca-Cola Light each were done into sigmoid colon over 2 days, resulting in clearance.
Conclusion Colonoscopic instillation of Coca-Cola may be effective in evacuation of large fecaloma from rectum, sigmoid, and descending colon when refractory to use of conventional methods like digital disimpaction, rectal enema, and oral laxatives.
Correlative analysis of embedded silicon interface passivation by Kelvin probe force microscopy and corona oxide characterization of semiconductor
Authors: Aubriet Valentin , Courouble Kristell , Gros-Jean Mickael , Borowik Łukasz 
Published: August 2021

We report a correlative analysis between corona oxide characterization of semiconductor (COCOS) and Kelvin probe force microscopy (KPFM) in a study of embedded silicon surfaces in the field of chemical and field-effect passivation. The COCOS approach gives access to the defect density, the total charge contained in the passivation stack, and the potential barrier. Based on the COCOS parameters, we could probe by KPFM to analyze the influence of the passivation stack upon the surface photovoltage. Thus, KPFM emerges as a valuable method to access chemical and field-effect passivation directly. We confirm that it is possible to differentiate by KPFM the influence of local band bending (i.e., field-effect passivation) from the effects due to the local recombination rates (i.e., chemical passivation). The measurements were carried on five different passivation layers of different thicknesses, precisely, 10.5 nm SiO2, 50 nm SiN, 7 nm Al2O3, 7 nm HfO2, and a double layer of 7 nm Al2O3 below 53 nm Ta2O5. Based on our correlative analysis, we could identify by KPFM that HfO2 displays the best chemical passivation properties. Additionally, we confirm that using an anti-reflective coating such as a Ta2O5 layer on top of Al2O3 causes the chemical passivation to deteriorate. Finally, for p-type silicon, SiN appears to be the worst case in terms of field-effect passivation.
Ab initio study of the O3–N2 complex: Potential energy surface and rovibrational states
Authors: Kalugina Yulia N. , Egorov Oleg , van der Avoird Ad 
Published: August 2021

The formation and destruction of O3 within the Chapman cycle occurs as a result of inelastic collisions with a third body. Since N2 is the most abundant atmospheric molecule, it can be considered as the most typical candidate when modeling energy-transfer dynamics. We report a new ab initio potential energy surface (PES) of the O3–N2 van der Waals complex. The interaction energies were calculated using the explicitly correlated single- and double-excitation coupled cluster method with a perturbative treatment of triple excitations [CCSD(T)-F12a] with the augmented correlation-consistent triple-zeta aug-cc-pVTZ basis set. The five-dimensional PES was analytically represented by an expansion in spherical harmonics up to eighth order inclusive. Along with the global minimum of the complex (De = 348.88 cm−1), with N2 being perpendicular to the O3 plane, six stable configurations were found with a smaller binding energy. This PES was employed to calculate the bound states of the O3–N2 complex with both ortho- and para-N2 for total angular momentum J = 0 and 1, as well as dipole transition probabilities. The nature of the bound states of the O3–oN2 and O3–pN2 species is discussed based on their rovibrational wave functions.
Ion correlations drive charge overscreening and heterogeneous nucleation at solid–aqueous electrolyte interfaces
Authors: Lee Sang Soo , Koishi Ayumi , Bourg Ian C. , Fenter Paul 
Published: August 2021

Significance
Ion distributions at charged solid–water interfaces, referred to as the electrical double layer (EDL), are poorly understood at high ion concentrations, in part due to the lack of molecular-scale descriptions of the interactions between adsorbed hydrated ions. Here, direct visualization of the salinity-dependent evolution of EDL structure reveals molecular origins of nonclassical transformation of the EDL, in which charge overscreening and heterogeneous nucleation are driven by ion–ion correlations at the interfaces. This manifestation of the atomistic basis of nonclassical behaviors provides a much-needed understanding of the impact of ion cooperativity at charged interfaces for the development of predictive models for element transport in natural environments and advanced technologies for material growth and synthesis in saline environments.
Complexity and the Big Bang
Authors: Nicolai Hermann 
Published: August 2021

Abstract
After a brief review of current scenarios for the resolution and/or avoidance of the Big Bang, an alternative hypothesis is put forward implying an infinite increase in complexity towards the initial singularity. This may result in an effective non-calculability which would present an obstruction to actually reaching the beginning of time. This proposal is motivated by the appearance of certain infinite-dimensional duality symmetries of indefinite Kac–Moody type in attempts to unify gravity with the fundamental matter interactions, and deeply rooted in properties of Einstein’s theory.
Frustrated tunneling dynamics in ultrashort laser pulses
Authors: Olofsson Edvin , Carlström Stefanos , Dahlström Jan Marcus 
Published: August 2021

Abstract
We study a model for frustrated tunneling ionization using ultrashort laser pulses. The model is based on the strong field approximation and it employs the saddle point approximation to predict quasiclassical trajectories that are captured on Rydberg states. We present a classification of the saddle-point solutions and explore their behavior as functions of angular momentum of the final state, as well as the carrier-envelope phase (CEP) of the laser pulse. We compare the final state population computed by the model to results obtained by numerical propagation of the time-dependent Schrödinger equation (TDSE) for the hydrogen atom. While we find qualitative agreement in the CEP dependence of the populations in principal quantum numbers, n, the populations to individual angular momentum channels, ℓ, are found to be inconsistent between model and TDSE. Thus, our results show that improvements of the quasiclassical trajectories are in order for a quantitative model of frustrated tunneling ionization.
Cosmological particle production: a review
Authors: Ford L H 
Published: August 2021

Abstract
This article will review quantum particle creation in expanding universes. The emphasis will be on the basic physical principles and on selected applications to cosmological models. The needed formalism of quantum field theory in curved spacetime will be summarized, and applied to the example of scalar particle creation in a spatially flat Universe. Estimates for the creation rate will be given and applied to inflationary cosmology models. Analog models which illustrate the same physical principles and may be experimentally realizable are also discussed.
Modulation of Weyl semimetal state in half-Heusler GdPtBi enabled by hydrostatic pressure
Authors: Zhang Junli , Jin Lei , Chen Jie , Zhang Chenhui , Li Peng , Yuan Ye , Wen Yan , Zhang Qiang , Zhang Xiaoming , Liu Enke , Wang Wenhong , Zhang Xixiang 
Published: August 2021

Abstract
The excitation of Weyl semimetals obeys the relativistic Weyl equation and attracted significant research attention due to its unique electronic state. In this paper, we present an emerging approach for modulating the electron state of half-Heusler GdPtBi by hydrostatic pressure. Through measurements of the temperature-dependent resistivity and magnetoresistance (MR), a phase transition from a Weyl semimetal to a semiconductor state was identified at about 2.0 GPa upon increasing the hydrostatic pressure. Electron transport in semiconductive GdPtBi is found to be well describable by Mott variable-range-hopping. The simulated electronic structures under different hydrostatic pressures further indicate that changes in the electronic states of atoms in the primary unit cell result in a phase transition in GdPtBi. This work presents an effective strategy for modulating the electronic state by tuning the lattice constant.
Long-term intracortical microelectrode array performance in a human: a 5 year retrospective analysis
Authors: Colachis Samuel C , Dunlap Collin F , Annetta Nicholas V , Tamrakar Sanjay M , Bockbrader Marcia A , Friedenberg David A 
Published: August 2021

Abstract

Objective. Brain-computer interfaces (BCIs) that record neural activity using intracortical microelectrode arrays (MEAs) have shown promise for mitigating disability associated with neurological injuries and disorders. While the chronic performance and failure modes of MEAs have been well studied and systematically described in non-human primates, there is far less reported about long-term MEA performance in humans. Our group has collected one of the largest neural recording datasets from a Utah MEA in a human subject, spanning over 5 years (2014–2019). Here we present both long-term signal quality and BCI performance as well as highlight several acute signal disruption events observed during the clinical study. Approach. Long-term Utah array performance was evaluated by analyzing neural signal metric trends and decoding accuracy for tasks regularly performed across 448 clinical recording sessions. For acute signal disruptions, we identify or hypothesize the root cause of the disruption, show how the disruption manifests in the collected data, and discuss potential identification and mitigation strategies for the disruption. Main results. Neural signal quality metrics deteriorated rapidly within the first year, followed by a slower decline through the remainder of the study. Nevertheless, BCI performance remained high 5 years after implantation, which is encouraging for the translational potential of this technology as an assistive device. We also present examples of unanticipated signal disruptions during chronic MEA use, which are critical to detect as BCI technology progresses toward home usage. Significance. Our work fills a gap in knowledge around long-term MEA performance in humans, providing longevity and efficacy data points to help characterize the performance of implantable neural sensors in a human population. The trial was registered on ClinicalTrials.gov (Identifier NCT01997125) and conformed to institutional requirements for the conduct of human subjects research.
The Impact of Nuclear Physics Uncertainties on Galactic Chemical Evolution Predictions
Authors: Côté Benoit , Denissenkov Pavel , Herwig Falk , Fryer Chris L. , Belczynski Krzysztof , Vassh Nicole , Mumpower Matthew R. , Lippuner Jonas , Pignatari Marco , Ruiter Ashley J. 
Published: August 2021

Abstract
Modeling the evolution of the elements in the Milky Way is a multidisciplinary and challenging task. In addition to simulating the ∽ 13 billion years evolution of our Galaxy, chemical evolution simulations must keep track of the elements synthesized and ejected from every astrophysical site of interest (e.g., supernova, compact binary merger). The elemental abundances of such ejecta, which are a fundamental input for chemical evolution codes, are usually taken from theoretical nucleosynthesis calculations performed by the nuclear astrophysics community. Therefore, almost all chemical evolution predictions rely on the nuclear physics behind those calculations. In this proceedings article, we highlight the impact of nuclear physics uncertainties on galactic chemical evolution predictions. We demonstrate that nuclear physics and galactic evolution uncertainties both have a significant impact on interpreting the origin of neutron-capture elements in our Solar System. Those results serve as a motivation to create and maintain collaborations between the fields of nuclear astrophysics and galaxy evolution.
Exploring the relative importance of socio-ecological factors to ecosystem services clusters: a support to spatially targeted management
Authors: Li Jiangyue , Zhang Chi , Chen Xi 
Published: August 2021

Abstract
Identifying the relative importance of different socio-ecological drivers that affect the ecosystem services (ESs) clusters provides a potential opportunity for spatially targeted policy design. Taking Central Asia (CA) as a case study, the spatiotemporal distribution of seven ESs was evaluated at the state level, and then a principal component analysis and k-means clustering were applied to explore the ES clusters. Based on Spearman’s correlation coefficients, the trade-offs and synergies relationship between ESs were analyzed at the different ES clusters scales. A redundancy analysis (RDA) was used to determine the relative contribution of socio-ecological factors affecting the distribution of ES clusters. The ES quantification revealed the spatial consistency and separation among different types of ESs. Similarities and differences of the trade-offs and synergies among ESs existed in five ES clusters (i.e. ‘ESC1: agricultural cluster’, ‘ESC2: carbon cluster’, ‘ESC3: sand fixation cluster’, ‘ESC4: habitat cluster’ and ‘ESC5: Soil and water cluster’). Pairwise water yield, soil retention, carbon storage and net primary production had good synergetic relationships in ESC1, ESC2, ESC4 and ESC5; sand fixation displayed negative correlations with other ESs in all ESCs; and the trade-offs relationships existed between food production and habitat quality in ESC1, ESC2 and ESC5. The RDA demonstrated that the explanatory power of the ecological variables (e.g. climate and vegetation) to the spatial distribution of ES clusters was much higher than that of the socio-economic variables (e.g. population and GDP). An important information/recommendation provided by this study is that ES clusters should be treated as the basic ecological management unit in CA, and different management strategies should be designed in accordance to the major interactions among the ESs in each ES cluster.