bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular structural characterization of superphenalene and supertriphenylene
Authors: Radhakrishnan M. , Prabhu Savari , Arockiaraj Micheal , Arulperumjothi M. 
Published: November 2021

AbstractInnovative discovery in bottom‐line research and industrial utilization of graphene material has made its mass and low‐cost creation an essential advance. This one‐atom thick luminous of carbon accumulates a set of different physico‐chemical properties, going from its extraordinary mechanical conduct to its uncommon electrical and warm conductivities, which are making graphene a genuine choice to trade numerous customary materials for different applications. Hexabenzocoronene (HBC) is one of the model frameworks for graphene. Because of extremely solid stacking cooperations prompting a columnar plan inside the HBC crystal the subsequent material is as insoluble as graphene. In this paper, we derive the explicit analytic expressions of distance and degree‐based topological indices of super‐polycyclic aromatic compounds with HBC as a base molecule, such as superphenalene and supertriphenylene.
Covid‐19 vaccines and variants of concern: A review
Authors: Hadj Hassine Ikbel 
Published: November 2021

AbstractSince the outbreak of coronavirus disease 2019 (Covid‐19) in December 2019, caused by the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), the number of confirmed infections has risen to more than 242 million worldwide, with nearly 5 million deaths. Currently, nine Covid‐19 vaccine candidates based on the original Wuhan‐Hu‐1 strain are at the forefront of vaccine research. All nine had an efficacy over 50% against symptomatic Covid‐19 disease: NVX‐CoV2373 (∼96%), BNT162b2 (∼95%), mRNA‐1273 (∼94%), Sputnik V (∼92%), AZD1222 (∼81%), BBIBP‐CorV (∼79%), Covaxin (∼78%), Ad26.CoV.S (∼66%) and CoronaVac (∼51%). However, vaccine efficacy (VE) can be jeopardised by the rapid emergence and spread of SARS‐CoV‐2 variants of concern (VOCs) that could escape from neutralising antibodies and/or cell‐mediated immunity. Rare adverse events have also been reported soon after administration of viral vector and mRNA vaccines. Although many Covid‐19 vaccines have been developed, additional effective vaccines are still needed to meet the global demand. Promising Covid‐19 vaccines such as WIBP‐CorV, AD5‐nCOV, ZyCoV‐D, CVnCoV, EpiVacCorona and ZF2001 have advanced to clinical studies. This review describes the most relevant mutations in the SARS‐CoV‐2 spike protein, discusses VE against VOCs, presents rare adverse events after Covid‐19 vaccination and introduces some promising Covid‐19 vaccine candidates.
Synthesis of Functionalized Quinazolinones via Acid‐Catalyzed Redox Neutral Reaction
Authors: Mondal Mohabul A. , Mondal Sudipta , Khan Abdul A. 
Published: November 2021

AbstractAn intramolecular 1,5‐hydride transfer reaction is observed during the synthesis of quinazolinones from anthranilamide and aliphatic dialdehyde under a mild acidic condition at room temperature. The hydride is being transferred from a dihydroquinazolinone moiety to a distal imine functional group. We proposed the hydride transfer mechanism based on the product obtained in a deuterated solvent. The influence of steric and electronic effects, and length of the dialdehyde towards the hydride transfer reaction, have been investigated. NMR and mass spectrometry are used to characterize the synthesized quinazolinones. This simple method is suitable for the preparation of a diverse array of multivalent quinazolinones.
Electrolytic Study of Pineapple Peel Derived Porous Carbon for All‐Solid‐State Supercapacitors
Authors: Dubey Prashant , Shrivastav Vishal , Singh Mandeep , Maheshwari Priyanka H. , Sundriyal Shashank , Dhakate Sanjay R. 
Published: November 2021

AbstractBiowaste derived carbon materials are recently gaining attention owing to their high specific surface area (SSA) and decent electrical conductivity. Herein, pineapple peel derived porous carbon nanosheets have been synthesized at different activation temperatures (PP‐600, PP‐700 and PP‐800). This shows that its high SSA along with hierarchal pore size distribution makes it a suitable electrode material for supercapacitors. Further, the electrochemical performance of the as prepared electrode material was carried out in three different electrolytes viz. acidic (1 M H2SO4), basic (6 M KOH) and neutral (1 M Na2SO4) and among them 1 M H2SO4 electrolyte shows superior electrochemical performance. Furthermore, PP‐800 electrode material displayed highest specific capacitance of 368.8 F/g in 1 M H2SO4 electrolyte, which is much higher when tested and compared in 6 M KOH (34 F/g) and 1 M Na2SO4 (102.7 F/g) electrolytes at a constant current density of 1 A/g. Additionally, symmetrical solid‐state supercapacitor was fabricated by utilizing PP‐800 electrodes and PVA gel electrolyte, that rendered remarkable energy density of ∼43 Wh/kg at a high‐power density of ∼1 kW/kg. The as fabricated PP‐800//PP‐800 device displayed an extraordinary cycle life exhibiting capacitance retention of 83 % after 10000 ultra‐long charge‐discharge cycles.
Reusable Cavitand‐Based Electrospun Membranes for the Removal of Polycyclic Aromatic Hydrocarbons from Water
Authors: Amorini Mattia , Riboni Nicolò , Pesenti Lucia , Dini Valentina Antonia , Pedrini Alessandro , Massera Chiara , Gualandi Chiara , Bianchi Federica , Pinalli Roberta , Dalcanale Enrico 
Published: November 2021

AbstractThe removal of toxic and carcinogenic polycyclic aromatic hydrocarbons (PAHs) from water is one of the most intractable environmental problems nowadays, because of their resistance to remediation. This work introduces a highly efficient, regenerable membrane for the removal of PAHs from water, featuring excellent filter performance and pH‐driven release, thanks to the integration of a cavitand receptor in electrospun polyacrylonitrile (PAN) fibers. The role of the cavitand receptor is to act as molecular gripper for the uptake/release of PAHs. To this purpose, the deep cavity cavitand BenzoQxCav is designed and synthetized and its molecular structure is elucidated via X‐Ray diffraction. The removal efficiency of the new adsorbent material toward the 16 priority PAHs is demonstrated via GC‐MS analyses at ng L−1 concentration. A removal efficiency in the 32%, to 99% range is obtained. The regeneration of the membrane is performed by exploiting the pH‐driven conformational switching of the cavitand between the vase form, where the PAHs uptake takes place, to the kite one, where the PAHs release occurs. The absorbance and regeneration capability of the membrane are successfully tested in four uptake/release cycles and the morphological stability.
Advanced Strategies in Metal‐Organic Frameworks for CO2 Capture and Separation
Authors: Usman Muhammad , Iqbal Naseem , Noor Tayyaba , Zaman Neelam , Asghar Aisha , Abdelnaby Mahmoud M. , Galadima Ahmad , Helal Aasif 
Published: November 2021

AbstractThe continuous carbon dioxide (CO2) gas emissions associated with fossil fuel production, valorization, and utilization are serious challenges to the global environment. Therefore, several developments of CO2 capture, separation, transportation, storage, and valorization have been explored. Consequently, we documented a comprehensive review of the most advanced strategies adopted in metal‐organic frameworks (MOFs) for CO2 capture and separation. The enhancements in CO2 capture and separation are generally achieved due to the chemistry of MOFs by controlling pore window, pore size, open‐metal sites, acidity, chemical doping, post or pre‐synthetic modifications. The chemistry of defects engineering, breathing in MOFs, functionalization in MOFs, hydrophobicity, and topology are the salient advanced strategies, recently reported in MOFs for CO2 capture and separation. Therefore, this review summarizes MOF materials′ advancement explaining different strategies and their role in the CO2 mitigations. The study also provided useful insights into key areas for further investigations.
Ortho C−H Functionalization of 2‐Arylimidazo[1,2‐a]pyridines
Authors: Ghosh Sumit , Laru Sudip , Hajra Alakananda 
Published: November 2021

AbstractC−H activation and functionalization is quite promising in recent days as the strategy offers a go‐to general method for different bond formations and hence grants synthetic versatility. At the same time, imidazopyridine, a fused bicycle of imidazole moiety with pyridine ring, has a profound impact due to its ubiquitous and prodigious application in medicinal as well as material chemistry. The presence of N‐1 atom in 2‐arylImidazo[1,2‐a]pyridine facilitates the coordination with metal catalysts leading to the formation of ortho‐substituted products. This review summarizes all the articles on ortho C−H functionalization of 2‐arylImidazo[1,2‐a]pyridines published till August 2021.
BMS flux algebra in celestial holography
Authors: Donnay Laura , Ruzziconi Romain 
Published: November 2021

Abstract
Starting from gravity in asymptotically flat spacetime, the BMS momentum fluxes are constructed. These are non-local expressions of the solution space living on the celestial Riemann surface. They transform in the coadjoint representation of the extended BMS group and correspond to Virasoro primaries under the action of bulk superrotations. The relation between the BMS momentum fluxes and celestial CFT operators is then established: the supermomentum flux is related to the supertranslation operator and the super angular momentum flux is linked to the stress-energy tensor of the celestial CFT. The transformation under the action of asymptotic symmetries and the OPEs of the celestial CFT currents are deduced from the BMS flux algebra.
Matching N3LO QCD calculations to parton showers
Authors: Prestel Stefan 
Published: November 2021

Abstract
The search for new interactions and particles in high-energy collider physics relies on precise background predictions. This has led to many advances in combining precise fixed-order cross-section calculations with detailed event generator simulations. In recent years, fixed-order qcd calculations of inclusive cross sections at n3lo precision have emerged, followed by an impressive progress at producing differential results. Once differential results become publicly available, it would be prudent to embed these into event generators to allow the community to leverage these advances. This note offers some concrete thoughts on me+ps matching at third order in qcd. As a method for testing these thoughts, a toy calculation of e+e− → u$$ \overline{u} $$

u
¯

at $$ \mathcal{O} $$
O
($$ {\alpha}_s^3 $$

α
s
3

) is constructed, and combined with an event generator through unitary matching. The toy implementation may serve also as blueprint for high-precision qcd predictions at future lepton colliders. As a byproduct of the n3lo matching formula, a new nnlo+ps formula for processes with “additional” jets is obtained.
Efficient rules for all conformal blocks
Authors: Fortin Jean-François , Ma Wen-Jie , Prilepina Valentina , Skiba Witold 
Published: November 2021

Abstract
We formulate a set of general rules for computing d-dimensional four-point global conformal blocks of operators in arbitrary Lorentz representations in the context of the embedding space operator product expansion formalism [1]. With these rules, the procedure for determining any conformal block of interest is reduced to (1) identifying the relevant projection operators and tensor structures and (2) applying the conformal rules to obtain the blocks. To facilitate the bookkeeping of contributing terms, we introduce a convenient diagrammatic notation. We present several concrete examples to illustrate the general procedure as well as to demonstrate and test the explicit application of the rules. In particular, we consider four-point functions involving scalars S and some specific irreducible representations R, namely 〈SSSS〉, 〈SSSR〉, 〈SRSR〉 and 〈SSRR〉 (where, when allowed, R is a vector or a fermion), and determine the corresponding blocks for all possible exchanged representations.
Light-cone distribution amplitudes of light mesons with QED effects
Authors: Beneke Martin , Böer Philipp , Toelstede Jan-Niklas , Vos K. Keri 
Published: November 2021

Abstract
We discuss the generalization of the leading-twist light-cone distribution amplitude for light mesons including QED effects. This generalization was introduced to describe virtual collinear photon exchanges at the strong-interaction scale ΛQCD in the factorization of QED effects in non-leptonic B-meson decays. In this paper we study the renormalization group evolution of this non-perturbative function. For charged mesons, in particular, this exhibits qualitative differences with respect to the well-known scale evolution in QCD only, especially regarding the endpoint-behaviour. We analytically solve the evolution equation to first order in the electromagnetic coupling αem, which resums large logarithms in QCD on top of a fixed-order expansion in αem. We further provide numerical estimates for QED corrections to Gegenbauer coefficients as well as inverse moments relevant to (QED-generalized) factorization theorems for hard exclusive processes.
Second-order reliability methods: a review and comparative study
Authors: Hu Zhangli , Mansour Rami , Olsson Mårten , Du Xiaoping 
Published: November 2021

AbstractSecond-order reliability methods are commonly used for the computation of reliability, defined as the probability of satisfying an intended function in the presence of uncertainties. These methods can achieve highly accurate reliability predictions owing to a second-order approximation of the limit-state function around the Most Probable Point of failure. Although numerous formulations have been developed, the lack of full-scale comparative studies has led to a dubiety regarding the selection of a suitable method for a specific reliability analysis problem. In this study, the performance of commonly used second-order reliability methods is assessed based on the problem scale, curvatures at the Most Probable Point of failure, first-order reliability index, and limit-state contour. The assessment is based on three performance metrics: capability, accuracy, and robustness. The capability is a measure of the ability of a method to compute feasible probabilities, i.e., probabilities between 0 and 1. The accuracy and robustness are quantified based on the mean and standard deviation of relative errors with respect to exact reliabilities, respectively. This study not only provides a review of classical and novel second-order reliability methods, but also gives an insight on the selection of an appropriate reliability method for a given engineering application.
The Evolution of Hemocyanin Genes in Caenogastropoda: Gene Duplications and Intron Accumulation in Highly Diverse Gastropods
Authors: Schäfer Gabriela Giannina , Grebe Lukas Jörg , Schinkel Robin , Lieb Bernhard 
Published: November 2021

AbstractHemocyanin is the oxygen transport protein of most molluscs and represents an important physiological factor that has to be well-adapted to their environments because of the strong influences of abiotic factors on its oxygen affinity. Multiple independent gene duplications and intron gains have been reported for hemocyanin genes of Tectipleura (Heterobranchia) and the caenogastropod species Pomacea canaliculata, which contrast with the uniform gene architectures of hemocyanins in Vetigastropoda. The goal of this study was to analyze hemocyanin gene evolution within the diverse group of Caenogastropoda in more detail. Our findings reveal multiple gene duplications and intron gains and imply that these represent general features of Apogastropoda hemocyanins. Whereas hemocyanin exon–intron structures are identical within different Tectipleura lineages, they differ strongly within Caenogastropoda among phylogenetic groups as well as between paralogous hemocyanin genes of the same species. Thus, intron accumulation took place more gradually within Caenogastropoda but finally led to a similar consequence, namely, a multitude of introns. Since both phenomena occurred independently within Heterobranchia and Caenogastropoda, the results support the hypothesis that introns may contribute to adaptive radiation by offering new opportunities for genetic variability (multiple paralogs that may evolve differently) and regulation (multiple introns). Our study indicates that adaptation of hemocyanin genes may be one of several factors that contributed to the evolution of the large diversity of Apogastropoda. While questions remain, this hypothesis is presented as a starting point for the further study of hemocyanin genes and possible correlations between hemocyanin diversity and adaptive radiation.
The child’s perception on monitoring inflammatory bowel disease activity
Authors: van Wassenaer Elsa A. , van der Klift Renée R. , Staphorst Mira S. , van der Lee Johanna H. , Benninga Marc A. , Koot Bart G. P. 
Published: November 2021

AbstractTo determine the perception of children with inflammatory bowel disease (IBD) regarding monitoring tests, we first compared the reported discomfort and patient perspective during gastro-intestinal (GI)-endoscopy, magnetic resonance entrography (MRE), and ultrasound (US) and, in a second comparison, patient preference on non-invasive tests (venipuncture, sampling stool and US). A cross-sectional study in children 8–18 years undergoing an US, MRE, and GI-endoscopy for diagnosis or follow-up of IBD. After each procedure, the children filled out the Discomfort during research procedures questionnaire (DISCO-RC). Items of the DISCO-RC are as follows: nervousness, annoyance, pain, fright, boredom, and tiredness. Answers range from “not” (= 0 points) to “extremely” (= 4 points) (range total score: 0–24). Differences between the procedures were assessed with Friedman test, with subsequent Wilcoxon signed-rank test. The children were also asked which non-invasive test they preferred not to undergo regularly (venipuncture, stool-sampling, or US). Answers were analyzed with χ2-test. Forty-nine patients (27 (55%) female, median age 15 (range 9–17)) were included. The children reported to be most nervous, frightened, and tired after GI-endoscopy (median: 1, 1, 2 points, respectively), equally annoyed by MRE and GI-endoscopy (median 1 point), and equally bored by MRE and US. GI-endoscopy was ranked as most discomfortable, followed by MRE and US (total DISCO-RC scores: 7 vs. 5 vs. 2, p < 0.001). Most of the children preferred not to sample stool or perform venipuncture regularly (n = 20 (41%, both) (p < 0.001)).Conclusion: Our results suggest that the children with IBD report low discomfort after US, MRE, and GI-endoscopy. US is preferred as a monitoring tool, also among non-invasive monitoring tests. GI-endoscopy was most discomfortable.

What is Known:• Children with inflammatory bowel disease need to be monitored frequently for disease activity.• Adult studies — including a systematic review — on acceptability of monitoring tools among IBD patients showed mixed results.

What is New:• Children in our study ranked gastro-intestinal endoscopy as most discomfortable, followed by MRE and US.• With regard to non-invasive monitoring, most children preferred not to sample stool or perform venipuncture regularly, and preferred US.
Protein expression of prognostic genes in primary melanoma and benign nevi
Authors: Gambichler T. , Elfering J. , Meyer T. , Bruckmüller S. , Stockfleth E. , Skrygan M. , Käfferlein H. U. , Brüning T. , Lang K. , Wagener D. , Schröder S. , Nick M. , Susok L. 
Published: November 2021

Abstract
Purpose
To evaluate the protein expression characteristics of genes employed in a recently introduced prognostic gene expression assay for patients with cutaneous melanoma (CM).

Methods
We studied 37 patients with CM and 10 with benign (melanocytic) nevi (BN). Immunohistochemistry of primary tumor tissue was performed for eight proteins: COL6A6, DCD, GBP4, KLHL41, KRT9, PIP, SCGB1D2, SCGB2A2.

Results
The protein expression of most markers investigated was relatively low (e.g., DCD, KRT9, SCGB1D2) and predominantly cytoplasmatic in melanocytes and keratinocytes. COL6A6, GBP4, and KLHL41 expression was significantly enhanced in CM when compared to BN. DCD protein expression was significantly correlated with COL6A6, GBP4, and KLHL41. GBP4 was positively correlated with KLHL41 and inversely correlated with SCGB2B2. The latter was also inversely correlated with serum S100B levels at time of initial diagnosis. The presence of SCGB1D2 expression was significantly associated with ulceration of the primary tumor. KRT9 protein expression was significantly more likely found in acral lentiginous melanoma. The presence of DCD expression was less likely associated with superficial spreading melanoma subtype but significantly associated with non-progressive disease. The absence of SCGB2A2 expression was significantly more often observed in patients who did not progress to stage III or IV.

Conclusions
The expression levels observed were relatively low but differed in part with those found in BN. Even though we detected some significant correlations between the protein expression levels and clinical parameters (e.g., CM subtype, course of disease), there was no major concordance with the protective or risk-associated functions of the corresponding genes included in a recently introduced prognostic gene expression assay.
Development of a Measure to Assess What Young Heterosexual Adults Say They Learn About Sex from Pornography
Authors: Dawson Kate , Nic Gabhainn Saoirse , Willis Malachi , MacNeela Pádraig 
Published: November 2021

AbstractThis study involved the development of two new measures to assess what some young heterosexual-identifying adults report learning about sex from pornography. Inventory items were generated from an extensive literature review and six qualitative focus group sessions with young adults (N = 54) aged 18–29 which explored how pornography could be used as a source of sexual information. A total of 135 items pertaining to sexual learning from pornography were produced, reviewed and categorized by a sample of young adults (n = 9), and finally reviewed for item and construct relevance by a panel of pornography, sex education and scale development experts (n = 6). Inventory items were administered to a sample of young adult university students (n = 1306). Two separate exploratory factor analyses were conducted for the female and male datasets. The final factors were reviewed by a panel of young adults  = 8) to identify the theme of each factor. Both the SIPI-F and SIPI-M yielded three factors: (1) How to be a good sexual partner, (2) Body aesthetic, and (3) Sexual exploration. Results show that pornography provides information about a range of sex-related topics. Findings also show that more frequent female pornography users reported learning more about how to be a good sexual partner and body aesthetic than less frequent pornography users. The SIPI-F and SIPI-M can be useful for examining a variety of questions regarding the use of pornography as an informal source of sexual information and its correlates.