bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular docking study of potential phytochemicals and their effects on the complex of SARS-CoV2 spike protein and human ACE2
Authors: Basu Anamika , Sarkar Anasua , Maulik Ujjwal 
Published: October 2020

AbstractAngiotensin converting enzyme 2 (ACE2) (EC:3.4.17.23) is a transmembrane protein which is considered as a receptor for spike protein binding of novel coronavirus (SARS-CoV2). Since no specific medication is available to treat COVID-19, designing of new drug is important and essential. In this regard, in silico method plays an important role, as it is rapid and cost effective compared to the trial and error methods using experimental studies. Natural products are safe and easily available to treat coronavirus affected patients, in the present alarming situation. In this paper five phytochemicals, which belong to flavonoid and anthraquinone subclass, have been selected as small molecules in molecular docking study of spike protein of SARS-CoV2 with its human receptor ACE2 molecule. Their molecular binding sites on spike protein bound structure with its receptor have been analyzed. From this analysis, hesperidin, emodin and chrysin are selected as competent natural products from both Indian and Chinese medicinal plants, to treat COVID-19. Among them, the phytochemical hesperidin can bind with ACE2 protein and bound structure of ACE2 protein and spike protein of SARS-CoV2 noncompetitively. The binding sites of ACE2 protein for spike protein and hesperidin, are located in different parts of ACE2 protein. Ligand spike protein causes conformational change in three-dimensional structure of protein ACE2, which is confirmed by molecular docking and molecular dynamics studies. This compound modulates the binding energy of bound structure of ACE2 and spike protein. This result indicates that due to presence of hesperidin, the bound structure of ACE2 and spike protein fragment becomes unstable. As a result, this natural product can impart antiviral activity in SARS CoV2 infection. The antiviral activity of these five natural compounds are further experimentally validated with QSAR study.
Effects of cLFchimera peptide on intestinal morphology, integrity, microbiota, and immune cells in broiler chickens challenged with necrotic enteritis
Authors: Daneshmand Ali , Kermanshahi Hassan , Sekhavati Mohammad Hadi , Javadmanesh Ali , Ahmadian Monireh , Alizadeh Marzieh , Aldawoodi Ahmed 
Published: October 2020

AbstractThree hundred and sixty 1-day-old male broiler chicks were randomly allocated to 4 treatments of 6 replicates to evaluate the effects of cLFchimera, a recombinant antimicrobial peptide (AMP), on gut health attributes of broiler chickens under necrotic enteritis (NE) challenge. Treatments were as follows: (T1) unchallenged group fed with corn-soybean meal (CSM) without NE challenge and additives (NC); (T2) group fed with CSM and challenged with NE without any additives (PC); (T3) PC group supplemented with 20 mg cLFchimera/kg diet (AMP); (T4) PC group supplemented with 45 mg antibiotic (bacitracin methylene disalicylate)/kg diet (antibiotic). Birds were sampled for villi morphology, ileal microbiota, and jejunal gene expression of cytokines, tight junctions proteins, and mucin. Results showed that AMP ameliorated NE-related intestinal lesions, reduced mortality, and rehabilitated jejunal villi morphology in NE challenged birds. While the antibiotic non-selectively reduced the count of bacteria, AMP restored microflora balance in the ileum of challenged birds. cLFchimera regulated the expression of cytokines, junctional proteins, and mucin transcripts in the jejunum of NE challenged birds. In conclusion, cLFchimera can be a reliable candidate to substitute growth promoter antibiotics, while more research is required to unveil the exact mode of action of this synthetic peptide.
Contrasting surface warming of a marginal basin due to large-scale climatic patterns and local forcing
Authors: Krauzig Naomi , Falco Pierpaolo , Zambianchi Enrico 
Published: October 2020

AbstractThe Mediterranean Sea is one of the first regions where sea surface temperature (SST) increase was linked to greenhouse effects and global warming. Due to its sensitivity to climate variability and its high impact on local and remote climate conditions, much effort has been made to assess the SST variability in the Mediterranean as a whole. However, the Mediterranean is composed of several basins, each of which plays a different role in its conveyor belt’s function. This study focuses on the basin of the Tyrrhenian Sea which represents one of the crucial areas for deep mixing of the Mediterranean main water masses. Thirty-seven years (1982–2018) of satellite-derived data were used to investigate the SST variability in relation to large-scale and local forcing mechanisms. A significant warming trend of 0.034 ± 0.004 °C/year was found, which led to an average warming of 1.288 ± 0.129 °C over the considered period. The observed warming presents time-dependent spatial patterns as well as changes in the seasonal cycle. Our results highlight that the Tyrrhenian’s individual long-term surface variability has different characteristics than the Mediterranean as a whole and provide insight into the relative influence of large-scale teleconnection patterns and local air-sea interaction on this variability.
Loss of skeletal muscle mass during palliative chemotherapy is a poor prognostic factor in patients with advanced gastric cancer
Authors: Park Song Ee , Choi Jin Hwa , Park Jae Yong , Kim Beom Jin , Kim Jae Gyu , Kim Jong Won , Park Joong-Min , Chi Kyong-Choun , Hwang In Gyu 
Published: October 2020

AbstractCancer causes muscle mass loss, which is associated with a poor prognosis. Chemotherapy may also reduce muscle mass. We investigated skeletal muscle mass change during palliative chemotherapy for advanced gastric cancer (AGC) and its association with treatment outcomes. We retrospectively reviewed 111 consecutive AGC patients who underwent first-line palliative chemotherapy. Skeletal muscle area was measured before and after chemotherapy at the third lumbar vertebra level using computed tomography scans. We compared skeletal muscle index (SMI), body mass index (BMI), and body weight changes to chemotherapy response and survival. The 80 male and 31 female patients’ median age was 65 (range 31–87) years, and 46.8% had sarcopenia at baseline. Median pre-chemotherapy to post-chemotherapy SMI, BMI, and body weight decreases were − 4.5 cm2/m2 (− 11.3%) (P < 0.001); − 0.7 kg/m2 (− 3.2%) (P < 0.001); and − 2.0 kg (− 3.5%) (P < 0.001), respectively. Median SMI decreases for patients with objective response, stable disease, and disease progression were − 4.0 cm2/m2 (range − 20.1 ~ 9.5); − 4.5 cm2/m2 (range − 19.8 ~ 0.8); and − 3.8 cm2/m2 (range: − 17.6 ~ 0.1), respectively. Response to chemotherapy was not associated with SMI decrease (P = 0.463). In multivariable analysis, sarcopenia at baseline (HR 1.681; 95% CI 1.083–2.609, P = 0.021), decreased SMI (HR 1.620; 95% CI 1.041–2.520; P = 0.032) were significant poor prognostic factors for survival. Skeletal muscle mass decreased significantly during chemotherapy in AGC patients, but was not associated with chemotherapy response. Decreased SMI was a poor prognostic factor in AGC patients during first-line palliative chemotherapy.
Metabolomic and transcriptomic analyses reveal the regulation of pigmentation in the purple variety of Dendrobium officinale
Authors: Zhan Xinqiao , Qi Jufeng , Zhou Bin , Mao Bizeng 
Published: October 2020

AbstractWe performed an integrated analysis of the transcriptome and metabolome from purple (Pr) and normal cultivated varieties (CK) of Dendrobium officinale to gain insights into the regulatory networks associated with phenylpropanoid metabolism and to identify the key regulatory genes of pigmentation. Metabolite and transcript profiling were conducted by ultra-performance liquid chromatography electrospray tandem mass spectrometry (UPLC-ESI-MS/MS) and RNA sequencing. Pr had more flavonoids in the stem than did CK. Metabolome analyses showed that 148 differential metabolites are involved in the biosynthesis of phenylpropanoids, amino acids, purines, and organic acids. Among them, the delphinidin and quercetin derivatives were significantly higher in Pr. A total of 4927 differentially expressed genes (DEGs) were significantly enriched (p ≤ 0.01) in 50 Gene Ontology (GO) terms. Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses revealed significantly enriched phenylpropanoid biosynthesis and phytohormone signal transduction in Pr versus CK. The expression levels of flavanone 3-hydroxylase (F3H) and leucoanthocyanidin dioxygenase (LDOX) affected the flux of dihydroflavonol, which led to a color change in Pr. Moreover, DEG enrichment and metabolite analyses reflected flavonoid accumulation in Pr related to brassinosteroid (BR) and auxin metabolism. The results of this study elucidate phenylpropanoid biosynthesis in D. officinale.
Education in early life markedly reduces the probability of cognitive impairment in later life in Colombia
Authors: O’Donovan Gary , Hamer Mark , Sarmiento Olga L. , Hessel Philipp 
Published: October 2020

AbstractThe objective of this study was to investigate associations between education in early life and cognitive impairment in later life in Colombia. Participants were community-dwelling adults aged 60 years or older from the National Study of Health, Wellbeing and Ageing. Trained interviewers administered a shorter version of the mini-mental state examination. Cognitive impairment was defined as the lowest tertile in the main analysis and as a score of 12 or less out of 19 in the sensitivity analysis. Logistic regression models were adjusted for education, other early life characteristics, and later life characteristics. The prevalence of cognitive impairment was 17.93% in the main analysis (n = 16,505). Compared with participants with no education, the fully adjusted odds ratio for cognitive impairment was 0.57 (95% confidence interval: 0.52, 0.63) in those with some primary education and 0.29 (95% confidence interval: 0.25, 0.34) in those with some secondary education or more. The population attributable fraction for education suggests that at least 10% of cases of cognitive impairment would be eliminated if all children received an education. Similar results were observed in the sensitivity analysis (n = 20,174). This study suggests that education in early life markedly reduces the probability of cognitive impairment in late life in Colombia.
MUSE observations of comet 67P/Churyumov-Gerasimenko
Authors: Opitom C. , Guilbert-Lepoutre A. , Besse S. , Yang B. , Snodgrass C. 
Published: October 2020

Aims. Observations of comet 67P/Churyumov-Gerasimenko were performed with MUSE at large heliocentric distances post-perihelion between 3 and 7 March 2016. These observations are part of a simultaneous ground-based campaign aimed at providing broad-scale information about comet 67P to complement the ESA/Rosetta mission.
Methods. We obtained a total of 38 datacubes over five nights. We took advantage of the integral field unit nature of the instrument to carry out a simultaneous study of the spectrum of 67P’s dust and its spatial distribution in the coma. We also looked for evidence of gas emission in the coma.
Results. We produced a high-quality spectrum of the dust coma over the optical range that could be used as a reference for future comet observations with this instrument. The slope of the dust reflectivity is of 10%∕100 nm over the 480–900 nm interval, with a shallower slope towards redder wavelengths. We used the Afρ to quantify the dust production and measure values of 65 ± 4 cm, 75 ± 4 cm, and 82 ± 4 cm in the V, R, and I bands, respectively. We detected several jets in the coma as well as the dust trail. Finally, using a novel method combining spectral and spatial information, we detected the forbidden oxygen emission line at 630 nm. Using this line, we derived a water production rate of 1.5 ± 0.6 × 1026 molec. s−1, assuming all oxygen atoms come from the photo-dissociation of water.
Activity–rotation in the dM4 star Gl 729
Authors: Ibañez Bustos R. V. , Buccino A. P. , Messina S. , Lanza A. F. , Mauas P. J. D. 
Published: October 2020

Aims. Recently, new debates about the role of layers of strong shear have emerged in stellar dynamo theory. Further information on the long-term magnetic activity of fully convective stars could help determine whether their underlying dynamo could sustain activity cycles similar to the solar one.
Methods. We performed a thorough study of the short- and long-term magnetic activity of the young active dM4 star Gl 729. First, we analyzed long-cadence K2 photometry to characterize its transient events (e.g., flares) and global and surface differential rotation. Then, from the Mount Wilson S-indexes derived from CASLEO spectra and other public observations, we analyzed its long-term activity between 1998 and 2020 with four different time-domain techniques to detect cyclic patterns. Finally, we explored the chromospheric activity at different heights with simultaneous measurements of the Hα and the Na I D indexes, and we analyzed their relations with the S-Index.
Results. We found that the cumulative flare frequency follows a power-law distribution with slope ~−0.73 for the range 1032–1034 erg. We obtained Prot = (2.848 ± 0.001) days, and we found no evidence of differential rotation. We also found that this young active star presents a long-term activity cycle with a length of about 4 yr; there is less significant evidence of a shorter cycle of 0.8 yr. The star also shows a broad activity minimum between 1998 and 2004. We found a correlation between the S index, on the one hand, and the Hα the Na I D indexes, on the other hand, although the saturation level of these last two indexes is not observed in the Ca lines.
Conclusions. Because the maximum-entropy spot model does not reflect migration between active longitudes, this activity cycle cannot be explained by a solar-type dynamo. It is probably caused by an α2-dynamo.
In schwierigen Fällen
Authors: Jung Carsten 
Published: October 2020

SummaryModerate Entgiftungsmethoden führen nicht immer zum Ziel – eine intensive Entgiftungstherapie kann in schwierigen Fällen helfen. Vor einer Entgiftungstherapie sollten zunächst der Vergiftungszustand und die Entgiftungsleistung ermittelt werden. Bei einer Entgiftung sollte die anatomisch chronologische Reihenfolge eingehalten werden, vor allem um Reintoxikationen zu vermeiden.
Anreiz für Arbeitnehmer
Authors: Dornbusch Hans-Ludwig 
Published: October 2020

SummaryHeilpraktiker, die Mitarbeiter beschäftigen, können die Arbeitgeberattraktivität durch vermögenswirksame Leistungen steigern. Als Arbeitgeber kann, aber muss sich der Heilpraktiker nicht an der Vermögensbildung seiner Arbeitnehmer beteiligen. Arbeitnehmer-Sparzulagen für die Anlage vermögenswirksamer Leistungen sind an Einkommensgrenzen gekoppelt, steuerfreie Vermögensbeteiligungen nicht.
Recent Advances in Photoacid Catalysis for Organic Synthesis
Authors: Badillo Joseph J. , Saway Jason , Salem Zena M. 
Published: October 2020

AbstractPhotoacids are molecules that become more acidic upon the absorption of light. This short review highlights recent advances in the use of photoacids as catalysts for organic synthesis. Photoacid-catalyzed­ transformations discussed herein include: Protonation, glycosylation, acetalization, and arylation reactions.1	Introduction2	Protonation: Excited-State Proton Transfer (ESPT)3	Glycosylation4	Acetalization5	Friedel–Crafts Arylation6	Additional C–C and C–S Bond-Forming Reactions7	Conclusion
A Model to Predict Vaginal Delivery and Maternal and Neonatal Morbidity in Low-Risk Nulliparous Patients at Term
Authors: Costantine Maged M. , Sandoval Grecio , Grobman William A. , Bailit Jennifer L. , Reddy Uma M. , Wapner Ronald J. , Varner Michael W. , Thorp John M. , Caritis Steve N. , Prasad Mona , Tita Alan T.N. , Sorokin Yoram , Rouse Dwight J. , Blackwell Sean C. , Tolosa Jorge E. ,   for the Eunice Kennedy Shriver National Institute of Child Health Human Development Maternal-Fetal Medicine Units Network, Bethesda, MD
Published: October 2020

Objective This study aimed to develop and validate a model to predict the probability of vaginal delivery (VD) in low-risk term nulliparous patients, and to determine whether it can predict the risk of severe maternal and neonatal morbidity.
Methods Secondary analysis of an obstetric cohort of patients and their neonates born in 25 hospitals across the United States (n = 115,502). Trained and certified research personnel abstracted the maternal and neonatal records. Nulliparous patients with singleton, nonanomalous vertex fetuses, admitted with an intent for VD ≥ 37 weeks were included in this analysis. Patients in active labor (cervical exam > 5 cm), those with prior cesarean and other comorbidities were excluded. Eligible patients were randomly divided into a training and test sets. Based on the training set, and using factors available at the time of admission for delivery, we developed and validated a logistic regression model to predict the probability of VD, and then estimated the prevalences of severe morbidity according to the predicted probability of VD.
Results A total of 19,611 patients were included. Based on the training set (n = 9,739), a logistic regression model was developed that included maternal age, body mass index (BMI), cervical dilatation, and gestational age on admission. The model was internally validated on the test set (n = 9,872 patients) and yielded a receiver operating characteristic-area under the curve (ROC-AUC) of 0.71 (95% confidence interval [CI]: 0.70–0.72). Based on a subset of 18,803 patients with calculated predicted probabilities, we demonstrated that the prevalences of severe morbidity decreased as the predicted probability of VD increased (p < 0.01).
Conclusion In a large cohort of low-risk nulliparous patients in early labor or undergoing induction of labor, at term with singleton gestations, we developed and validated a model to calculate the probability of VD, and maternal and neonatal morbidity. If externally validated, this calculator may be clinically useful in helping to direct level of care, staffing, and adjustment for case-mix among various systems.
Key Points
Noninvasive High-Frequency Oscillatory Ventilation: A Retrospective Chart Review
Authors: Ali Yaser A.H. , Seshia Mary M. , Ali Ebtihal , Alvaro Ruben 
Published: October 2020

Objective This study aimed to review the feasibility of nasal high-frequency oscillatory ventilation (NHFOV) in preventing reintubation in preterm infants.
Study Design This is a retrospective cohort study of all premature newborn infants placed on NHFOV in a single-center neonatal intensive care unit.
Results Twenty-seven patients (birth weight: 765 ± 186 g, gestational age: 28 ± 2 weeks) were commenced on NHFOV on 32 occasions. NHFOV was used immediately postextubation as the primary mode of noninvasive ventilation (NIV; prophylaxis) in 10 of 32 occasions and as “rescue” (failure of NCPAP or biphasic CPAP) in 22 of 32 occasions. Treatment with NHFOV was successful in 22 occasions (69%) while on 10 occasions (31%) reintubation was required within 72 hours. In the rescue group, there was significant reduction in the mean (standard deviation [SD]) number of apneas (0.9 ± 1.07 vs. 0.3 ± 0.29, p < 0.005), but there were no significant changes in the PCO2 level (52 [ ±  9.8] vs. 52 [ ±  8.6] mm Hg, p = 0.8), or the FiO2 requirement (0.39 ± 0.19 vs. 0.33 ± 0.10, p = 0.055) before and after commencing NHFOV, respectively.
Conclusion The use of NHFOV is feasible as a prophylactic or rescue mode of NIV following extubation and was associated with decrease in the number of apneas without significant changes in PCO2 or oxygen requirements. A well-designed randomized control trial is needed to determine the indications, clinical outcomes, and safety of this treatment modality.
Key Points
Subnational constitutional courts and judicialization in Germany
Authors: Reutter Werner 
Published: October 2020

AbstractThis paper examines the contribution of German subnational constitutional courts to the judicialization of politics in the German states, known as Länder. This research goal entails three dimensions. First, I have to define and measure judicialization. To accomplish this task, I use an index recently developed by an international group of scholars of comparative politics. Second, based on major theoretical approaches, I identify possible causes that might give reasons for judicialization, namely institutional preconditions and preferences of justices. In a third step, I use a linear regression in order to test the theory empirically and find links between causes and effects of judicial decision-making in subnational constitutional courts. The findings confirm institutionalist approaches that contribute to explaining decision-making in German subnational constitutional courts.
Expertise and resources for interpreter training online
Authors: Rodríguez Melchor María Dolores , Motta Manuela , Aguirre Fernández Bravo Elena , Egorova Olga , Ferguson Kate , Mikolič Južnič Tamara 
Published: October 2020

Abstract
The development of online interactive resources for interpreter training has been at the centre of the agenda
in terms of pedagogical assistance and cooperation both for the European Institutions and for their partner universities. Modern
videoconferencing systems and online learning technologies provide an excellent alternative to face-to-face classes, offering solutions to
the problem of trainers’ availability and engaging learners in synchronous and asynchronous task-oriented activities.
In this context, the European Parliament-funded ERITON project was launched in 2014 with the aim of facilitating the
dissemination of best practices and enhancing collaboration between EU and non-EU partner universities in the field of conference
interpreter training. Forming the strategic core of this project was the use of innovative training methodologies, such as virtual classes
and virtual mock-conferences.
This paper presents the pedagogical framework of the VCs and discusses the results of an online survey conducted from 2015
to 2017 among students who actively participated in the virtual classes held within the ERITON project. The aim of the survey was to obtain
anonymous feedback on the technical set-up of the VCs and on the helpfulness of this format in terms of skill acquisition and progress. The
results show that the new medium was well-received and appreciated by respondents, especially since it gave them the possibility to interact
in ways and with people that would otherwise be impossible.
Horndeski theories and beyond from higher dimensions
Authors: Jana Soumya , Dalang Charles , Lombriser Lucas 
Published: October 2020

Abstract
The Einstein–Hilbert action with a cosmological constant is the most general local four-dimensional action leading to second-order derivative equations of motion that are symmetric and divergence free. In higher dimensions, additional terms can appear. We investigate a generalised metric decomposition involving a scalar degree of freedom to express the higher-dimensional action as an effective four-dimensional scalar–tensor theory. From the higher-dimensional Ricci scalar alone and a subclass of our metric ansatz, we recover the subset of Horndeski theories with luminal speed of gravitational waves. More generally, beyond-Horndeski terms appear. When including a Gauss–Bonnet scalar in the higher-dimensional action, we generate contributions to all cubic-order second-derivative terms present in the degenerate higher-order scalar–tensor theory (DHOST) as well as higher-derivative terms beyond that. We discuss this technique as a way to generate healthy four-dimensional gravity theories with an extra scalar degree of freedom and outline further generalisations of our method.