bluuebunny/crossref_metadata_2025_split huggingface dataset:
Organocatalytic atroposelective heterocycloaddition to access axially chiral 2-arylquinolines
Authors: Yang Gongming , Sun Shaofa , Li Zhipeng , Liu Yuhan , Wang Jian 
Published: October 2021

AbstractAxially chiral heterobiaryls play a vital role in asymmetric synthesis and drug discovery. However, there are few reports on the synthesis of atropisomeric heterobiaryls compared with axially chiral biaryls. Thus, the rapid enantioselective construction of optically active heterobiaryls and their analogues remains an attractive challenge. Here, we report a concise chiral amine-catalyzed atroposelective heterocycloaddition reaction of alkynes with ortho-aminoarylaldehydes, and obtain a new class of axially chiral 2-arylquinoline skeletons with high yields and excellent enantioselectivities. In addition, the axially chiral 2-arylquinoline framework with different substituents is expected to be widely used in enantioselective synthesis.
Serology study after BTN162b2 vaccination in participants previously infected with SARS-CoV-2 in two different waves versus naïve
Authors: Dalle Carbonare Luca , Valenti Maria Teresa , Bisoffi Zeno , Piubelli Chiara , Pizzato Massimo , Accordini Silvia , Mariotto Sara , Ferrari Sergio , Minoia Arianna , Bertacco Jessica , Li Vigni Veronica , Dorelli Gianluigi , Crisafulli Ernesto , Alberti Daniela , Masin Laura , Tiberti Natalia , Longoni Silvia Stefania , Lopalco Lucia , Beretta Alberto , Zipeto Donato 
Published: October 2021

Abstract
Background
The antibody response to SARS-CoV-2 mRNA vaccines in individuals with waning immunity generated by a previous SARS-CoV-2 infection, as well as the patterns of IgA and IgM responses in previously infected and in naïve individuals are still poorly understood.

Methods
We performed a serology study in a cohort of BTN162b2 mRNA vaccine recipients who were immunologically naïve (N, n = 50) or had been previously infected with SARS-CoV-2 (P.I., n = 51) during the first (n = 25) or second (n = 26) pandemic waves in Italy, respectively. We measured IgG, IgM and IgA antibodies against the SARS-CoV-2 Spike (S) and IgG against the nucleocapsid (N) proteins, as well as the neutralizing activity of sera collected before vaccination, after the first and second dose of vaccine.

Results
Most P.I. individuals from the first pandemic wave who showed declining antibody titres responded to the first vaccine dose with IgG-S and pseudovirus neutralization titres that were significantly higher than those observed in N individuals after the second vaccine dose. In all recipients, a single dose of vaccine was sufficient to induce a potent IgA response that was not associated with serum neutralization titres. We observed an unconventional pattern of IgM responses that were elicited in only half of immunologically naïve subjects even after the second vaccine dose.

Conclusions
The response to a single dose of vaccine in P.I. individuals is more potent than that observed in N individuals after two doses. Vaccine-induced IgA are not associated with serum neutralization.
The peculiar abundances of HE 1005–1439
Authors: Goswami Partha Pratim , Goswami Aruna 
Published: October 2021

Context. Understanding the surface chemical composition of carbon-enhanced metal-poor (CEMP) stars with enhanced abundances of heavy elements remains problematic.
Aims. One of the primary objectives is to investigate the origin of the peculiar abundance pattern observed in the carbon-enhanced extremely metal-poor object HE 1005–1439, which is enriched with both s-process and i-process nucleosynthesis products and thus forms a new class of object with a distinct abundance pattern.
Methods. We performed a detailed, high-resolution spectroscopic analysis of this object based on SUBARU/HDS spectra with a resolution R of ∼50 000. We utilised the line analysis method with measured equivalent widths of neutral and ionised lines due to various elements. Moreover, we calculated the spectrum synthesis of carbon molecular bands and lines due to elements with hyperfine structures to determine the elemental abundances. Abundances of ten light elements from C through Ni and 12 heavy elements Sr, Y, Ba, La, Ce, Pr, Nd, Eu, Dy, Er, Hf, and Pb were determined. We also performed a parametric-model-based analysis of the abundances of the heavy elements to understand the origin of the observed abundance pattern.
Results. For the first time, we came across an object with a surface chemical composition that exhibits contributions from both slow (s) and intermediate (i) neutron-capture nucleosynthesis. The observed abundance pattern is quite unique and has never been observed before in any CEMP stars. The star is found to be a CEMP-s star based on the CEMP stars’ classification criteria. However, the observed abundance pattern could not be explained based on theoretical s-process model predictions. On the contrary, our parametric-model based analysis clearly indicates its surface chemical composition being influenced by similar contributions from both the s- and i-process. We critically examined the observed abundances and carefully investigated the formation scenarios involving the s-process and the i-process that are available in literature, and we found that none of them could explain the observed abundances. We note that the variation we see in our radial velocity estimates obtained from several epochs may indicate the presence of a binary companion. Considering a binary system, we therefore propose a formation scenario for this object involving effective proton ingestion episodes triggering i-process nucleosynthesis followed by s-process asymptotic giant branch (AGB) nucleosynthesis with a few third-dredge-up episodes in the now extinct companion AGB star. Results obtained from the parametric-model-based analysis are discussed in light of existing stellar evolutionary models.
Three new species of Creptotrema (Trematoda, Allocreadiidae) with an amended diagnosis of the genus and reassignment of Auriculostoma (Allocreadiidae), based on morphological and molecular evidence
Authors: Franceschini Lidiane , Aguiar Aline , Zago Aline Cristina , de Oliveira Fadel Yamada Priscilla , Bertholdi Ebert Mariana , da Silva Reinaldo José 
Published: October 2021

Diversity of Creptotrema was investigated using morphological and molecular tools, including data for Creptotrema creptotrema (type-species). Three new species, parasites of Brazilian fishes, are described: Creptotrema conconae n. sp. (type-host, Imparfinis mirini Haseman), Creptotrema schubarti n. sp. (type-host, Characidium schubarti Travassos) and Creptotrema megacetabularis n. sp. (type-host, Auchenipterus osteomystax (Miranda Ribeiro)). The diagnosis of the genus was amended to include new features. The new species differ from each other mainly in terms of body shape, relative sucker size, and testes position. DNA sequences were obtained from Creptotrema spp. from Brazil, including 28S, ITS and COI. Genetic divergences among the new species and C. creptotrema varied from 2.1 to 5.2% (21–49 bp) for 28S, and 6.6 to 16.4% (21–45 bp) for COI. Phylogenetic analysis (28S) placed the newly generated DNA sequences of Creptotrema in a clade (Creptotrema clade sensu stricto) composed of C. creptotrema, the new species described herein, and all species previously described as Auriculostoma, revealing that Auriculostoma is best interpreted as a synonym of Creptotrema based on the principle of priority of zoological nomenclature. Creptotrema funduli, the single sequence of the genus previously available, was not grouped within the Creptotrema clade sensu stricto, suggesting the need for reevaluation of the taxonomic status of this species. Our results showed that Creptotrema represents a monophyletic genus of trematodes widely distributed across the Americas, which currently comprises 19 valid species of parasites of teleosts and anurans.
Challenging diagnostic work-up of a massive fluid-filled structure in the cranial abdomen of a cat
Authors: Fels Lena , Hungerbühler Stephan , Dziallas Peter , Kramer Sabine , Becker Kathrin , Beineke Andreas , Mischke Reinhard 
Published: October 2021

AbstractA 9-year-old female, neutered European shorthair cat was presented with acute vomiting, obvious jaundice and painful enlargement of the abdomen. Icteric skin and mucous membranes in addition to severe bilirubinaemia (mainly direct bilirubin) and a large increase in liver enzyme activities were the main findings at the initial examination. Radio- and ultrasonographic evaluation revealed a massive fluid-filled structure caudal to the liver displacing abdominal organs, in particular the stomach. As this structure with a diameter of 8–10 cm occupied considerable space in the cranioventral abdomen, a detailed ultrasonographic examination of the liver and the gallbladder, and determination of the structure’s association with a particular abdominal organ was initially impossible. Via ultrasound-assisted puncture under general anaesthesia 300 ml of an almost clear fluid could be aspirated. Cytological examination revealed a cyst content-like fluid with cell detritus.Further ultrasonographic and computed tomographic diagnostics followed by abdominal laparotomy finally enabled diagnosis of a cystic dilatation of the entire common bile duct and accumulation of white bile. Histopathological examination after euthanasia (requested by the owner) identified lymphoplasmacytic cholangitis and necrosis of the duodenal papilla. The massive dilatation of the common bile duct complicated its definite diagnosis by diagnostic imaging methods. It was most likely caused by a longer-standing obstruction of the bile flow by lymphoplasmacytic cholangitis with necrosis and granulation tissue formation in the area of the duodenal papilla. An interesting but initially misleading feature was the presence of white bile. The etiology of this extremely rare condition remains obscure but in the described case a manifestation of impaired hepatocyte function secondary to biliary stasis is suspected to be the cause.
Internal Load of Female Varsity Ice Hockey Players During Training
and Games During a Season
Authors: Bigg Jessica Lynne , Gamble Alexander Shand Davis , Spriet Lawrence L. 
Published: October 2021

AbstractThis study quantified internal load, using sessional rating of perceived exertion
(sRPE) and heart-rate derived training impulse (TRIMP), of female varsity ice
hockey players throughout a season. Twenty-four female
(19.8±1.4 yr, 68.0±6.9 kg) varsity ice hockey
players participated in this prospective cohort study. Internal load was
captured using sRPE and TRIMP for each on-ice session. Internal load was
significantly higher (p<0.05) for games (sRPE:
324±202 AU, TRIMP: 95±60 AU) compared to
training (sRPE: 248±120 AU, TRIMP: 68±32 AU).
Overall, goalies had a higher internal load than forwards (sRPE and TRIMP) and
defence (TRIMP), with no differences between forwards and defence. Micro-cycle
periodization was present, with training sessions several days prior to game
days having the highest internal load (sRPE and TRIMP) and tapering down as
subsequent training sessions approached game day. For the meso-cycle assessment,
for both training and competition combined, the post-season sRPE was greater
than the pre-season (p=0.002) and regular season (p<0.001).
Lastly, the association between sRPE and TRIMP, revealed a large, statistically
significant relationship (r=0.592, p<0.001). Internal load was
greater during competitions, training sessions and subsequent internal loads
suggested prioritization around game days, the post-season phase demanded the
highest internal load and there was a strong correlation between sRPE and
TRIMP.
Wie man mit der Ernährung Einfluss auf Fettstoffwechselstörungen nehmen kann
Authors: Römmele Petra 
Published: October 2021

ZusammenfassungMit einer Änderung der Ernährungsgewohnheiten können Lipoproteinämien positiv beeinflusst werden. Dabei gilt es, auf eine ausgeglichene Energiebilanz zu achten, Übergewicht zu reduzieren sowie die Zufuhr einzelner Nährstoffe über eine veränderte Lebensmittelauswahl anzupassen. Eine pflanzenreiche Ernährung, reich an Pflanzenölen, fermentierten Milchprodukten und Vollkornprodukten, bei gleichzeitig geringem Konsum von fettem Fleisch und Zucker, ist vorteilhaft. Funktionelle Lebensmittel können ergänzend verwendet werden. Ernährungsformen wie die mediterrane Ernährung oder die DASH-Diät vereinen wichtige Prinzipien der Ernährung bei Lipoproteinämien und können eine gute Basis einer veränderten Ernährungsweise sein.
Group-Selective Approaches to Complex Natural Product Synthesis: Three Examples of Diastereotopos-Selective Reactions
Authors: Ohmori Ken , Suzuki Keisuke 
Published: October 2021

AbstractThis Account showcases three diastereotopos-selective reactions exploited in our complex natural syntheses.1 Introduction2 Malyngolide: Hydroalumination of Bisalkynyl tert-Alcohols3 Cavicularin: Acetal Cleavage4 Carthamin: Bromoacetoxylation5 Conclusions
Modified Technique for Retrograde Cerebral Perfusion during Hemiarch Aortic Replacement
Authors: Kouchoukos Nicholas T. , Haynes Marc , Hester Sarah , Castner Catherine F. 
Published: October 2021

Abstract
Background Uncertainty remains regarding the optimal method of brain protection for procedures that require repair or replacement of the aortic arch. We examined the early outcomes of a technique for brain protection in patients undergoing partial aortic arch (hemiarch) replacement that involves deep hypothermic circulatory arrest (DHCA) and retrograde cerebral perfusion (RCP) of cold blood from the superior vena cava toward the end of the arrest interval.
Methods During a recent 15-year interval, 520 patients underwent elective or urgent/emergent ascending aortic and hemiarch replacement as an isolated (47 patients) or combined (473 patients) procedure employing DHCA (mean nasopharyngeal temperature at circulatory arrest, 17.1°C and mean duration, 19.3 minutes) supplemented with RCP of cold blood from the superior vena cava toward the end of the arrest interval (mean, 6.7 minutes). The mean age of the patients was 59.5 years, and 65% were male.
Results The in-hospital and 30-day mortality rates were 1.2% (six patients). Seven patients (1.4%) sustained a stroke and 19 patients (3.7%) had transient neurologic dysfunction that completely resolved by the time of hospital discharge. Four patients (0.77%) developed postoperative renal failure requiring dialysis. Twenty-one patients (4%) required ventilator support for >48 hours and five patients (0.96%) required a tracheostomy. The median hospital length of stay was 6 days.
Conclusion DHCA with a brief interval of RCP is a safe and effective technique for brain protection during hemiarch aortic replacement. RCP reduces the duration of brain ischemia and permits removal of particulate matter and air from the arterial circulation.
A High-Echoic Layer Surrounding the Heart Suggesting Cardiac Tamponade by Clotting
Authors: Takeuchi Ikuto , Shitara Jun , Yanagawa Youichi 
Published: October 2021

AbstractA 16-year-old boy experienced a sudden loss of consciousness. On arrival, he was in cardiac arrest. An ultrasound study revealed a high-echoic layer surrounding the heart. He received a diagnosis of clotting cardiac tamponade. Urgent thoracotomy with pericardiotomy was performed, but he failed to obtain return of spontaneous circulation. Physicians should focus on not only low-echoic but also high-echoic areas to accurately diagnose clotting, which can result in a critical condition if not managed properly.
Parent Activation in the Neonatal Intensive Care Unit
Authors: Skeens Ryan , Cavanaugh Kerri L. , Cronin Robert , Chen QinGxia , Liu Yuhan , Huth Hannah , Jackson Gretchen P. 
Published: October 2021

Objective Patient activation is the knowledge, skills, and confidence to manage one's health; parent activation is a comparable concept related to a parent's ability to manage a child's health. Activation in adults is a modifiable risk factor and associated with clinical outcomes and health care utilization. We examined activation in parents of hospitalized newborns observing temporal trends and associations with sociodemographic characteristics, neonate characteristics, and outcomes.
Study Design Participants included adult parents of neonates admitted to a level-IV neonatal intensive care unit in an academic medical center. Activation was measured with the 10-item Parent version of the Patient Activation Measure (P-PAM) at admission, discharge, and 30 days after discharge. Associations with sociodemographic variables, health literacy, clinical variables, and health care utilization were evaluated.
Results A total of 96 adults of 64 neonates were enrolled. The overall mean P-PAM score on admission was 81.8 (standard deviation [SD] = 18), 88.8 (SD = 13) at discharge, and 86.8 (SD = 16) at 30-day follow-up. Using linear mixed regression model, P-PAM score was significantly associated with timing of measurement. Higher P-PAM scores were associated with higher health literacy (p = 0.002) and higher in mothers compared to fathers (p = 0.040). There were no significant associations of admission P-PAM scores with sociodemographic characteristics. Parents of neonates who had a surgical diagnosis had a statistically significant (p = 0.003) lower score than those who did not. There were no associations between discharge P-PAM scores and neonates' lengths of stay or other indicators of illness severity.
Conclusion Parental activation in the NICU setting was higher than reported in the adult and limited pediatric literature; scores increased from admission to discharge and 30-day postdischarge. Activation was higher in mothers and parents with higher health literacy. Additional larger scale studies are needed to determine whether parental activation is associated with long-term health care outcomes as seen in adults.
Key Points
Polycrystal plasticity with grain boundary evolution: a numerically efficient dislocation-based diffuse-interface model
Authors: He Junyan , Admal Nikhil Chandra 
Published: October 2021

Abstract
Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various manufacturing processes. To this end, we present a computationally efficient framework to describe the co-evolution of bulk plasticity and GBs. We represent GBs as diffused geometrically necessary dislocations, whose evolution describes GB plasticity. Under this representation, the evolution of GBs and bulk plasticity is described in unison using the evolution equation for the plastic deformation gradient, an equation central to classical crystal plasticity theories. To reduce the number of degrees of freedom, we present a procedure which combines the governing equations for each slip rates into a set of governing equations for the plastic deformation gradient. Finally, we outline a method to introduce a synthetic potential to drive migration of a flat GB. Three numerical examples are presented to demonstrate the model. First, a scaling test is used to demonstrate the computational efficiency of our framework. Second, we study the evolution of a tricrystal, formed by embedding a circular grain into a bicrystal, and demonstrate qualitative agreement between the predictions of our model and those of molecular dynamics simulations by Trautt and Mishin (2014 Acta Mater.
65 19–31). Finally, we demonstrate the effect of applied loading in texture evolution by simulating the evolution of a synthetic polycrystal under applied displacements.
Ab initio calculation of the ground and first excited states of the lithium dimer
Authors: Qi JianJun , Bai YuYao , Guo QianQian , Han Yong-Chang , Shundalau Maksim B 
Published: October 2021

Abstract
Based on a high level ab initio calculation which is carried out with the multireference configuration interaction method under the aug-cc-pVXZ (AVXZ) basis sets, X = T, Q, 5, the accurate potential energy curves (PECs) of the ground state

X

Σ

g

+

1

and the first excited state

A

Σ

u

+

1

of Li2 are constructed. By fitting the ab initio potential energy points with the Murrell–Sorbie potential function, the analytic potential energy functions (APEFs) are obtained. The molecular bond length at the equilibrium (R

e
), the potential well depth (D

e
), and the spectroscopic constants (B

e

, ω

e

, α

e
, and ω

e

χ

e
) for the

X

Σ

g

+

1

state and the

A

Σ

u

+

1

state are deduced from the APEFs. The vibrational energy levels of the two electronic states are obtained by solving the time-independent Schrödinger equation with the Fourier grid Hamiltonian method. All the spectroscopic constants and the vibrational levels agree well with the experimental results. The Franck–Condon factors (FCFs) corresponding to the transitions from the vibrational level (v′ = 0) of the ground state to the vibrational levels (v″ = 0–74) of the first excited state have been calculated. The FCF for the vibronic transition of

A

Σ

u

+

1

(v″ = 0) ←

X

Σ

g

+

1

(v′ = 0) is the strongest. These PECs and corresponding spectroscopic constants provide reliable theoretical references to both the spectroscopic and the molecular dynamic studies of the Li2 dimer.
Generation of laser-driven flyer dominated by shock-induced shear bands: A molecular dynamics simulation study
Authors: Geng Deshen , Liu Danyang , Lu Jianying , Chen Chao , Wu Junying , Li Shuzhou , Chen Lang 
Published: October 2021

Abstract
High-power pulsed lasers provide an ingenious method for launching metal foils to generate high-speed flyers for high-pressure loading in material science or aerospace engineering. At high-temperature and high-pressure laser-induced conditions, the dynamic response of the metals and the mechanism of flyer formation remain unclear. In this study, the overall process of the laser-driven aluminum flyer, including laser ablation, rupture of metal foil, and the generation of the flyer was investigated by molecular dynamics combined with the two-temperature model. It was found that under high laser fluence (over 1.3 J/cm2 with 200-fs laser pulse duration), the laser induced a shock wave with a peak pressure higher than 25 GPa, which led to shear bands expanding from the edge of the laser ablation zone in the foil. Compared with the cases of low laser fluence less than 0.5 J/cm2, the shear band induced by high laser fluence promotes the rupture of the foil and results in a high-speed flyer (> 1 km/s) with better flatness and integrity. In addition, the shock wavefront was found to be accompanied by aluminum crystal phase transformation from face-centered cubic (FCC) to body-centered cubic structure. The crystal structure reverts with the decrease of pressure, therefore the internal structure of the generated flyer is pure of FCC. The results of this study provide a better understanding of the laser-induced shock effect on the foil rupture and flyer quality and forward the development of the laser-driven flyer.