bluuebunny/crossref_metadata_2025_split huggingface dataset:
Racial/ethnic disparities in gastric cancer: A 15‐year population‐based analysis
Authors: Gonzalez‐Pons Maria , Torres‐Cintrón Carlos R. , Soto‐Salgado Marievelisse , Vargas‐Ramos Yimari , Perez‐Portocarrero Luis , Morgan Douglas R. , Cruz‐Correa Marcia 
Published: July 2022

AbstractBackground and aims: Disparities in gastric cancer incidence and mortality have been reported among ethnic/racial groups. While gastric cancer is not common in the U.S., it is among the top 10 causes of cancer‐related death among Hispanics living in Puerto Rico (PRH). This study compared gastric cancer incidence rates during a 15‐year period (2002–2006, 2007–2011, and 2012–2016) between PRH and racial/ethnic groups in the mainland U.S., including Non‐Hispanic Whites (NHW), Non‐Hispanics Blacks (NHB), Hispanics (USH), and Non‐Hispanic Asian or Pacific Islanders (NHAPI).MethodsPrimary gastric cancer cases (ICD‐O‐3 codes C16.0 to C16.9) from the Puerto Rico Central Cancer Registry and SEER diagnosed from January 1, 2002 to December 31, 2016 were included in the analysis. The Joinpoint Regression Program and standardized rate ratios were used to estimate Annual Percent Changes (APC) and differences in gastric cancer incidence among racial/ethnic groups, respectively.ResultsOur analysis included 83,369 gastric cancer cases (PRH n = 4202; NHW n = 43,164; NHB n = 10,414; NHAPI n = 11,548; USH n = 14,041). USH had the highest number of cases among individuals <50 years, whereas NHW and PRH had the highest percentage among individuals ≥50 years. PRH and USH were the only groups with increasing APCs among individuals <50 years.ConclusionsGastric cancer continues to be a common cancer among PRH, despite the overall decrease in incidence among other racial/ethnic groups. Studies evaluating the gastric cancer risk factors among high‐risk groups are necessary to establish health policy and modify gastric cancer screening algorithms among Hispanics.
Adolescents' evaluations of those who challenge exclusive and inclusive peer norms
Authors: Hitti Aline , Killen Melanie 
Published: July 2022

AbstractEarly and middle adolescents' judgements and reasonings about peers who challenge exclusive and inclusive peer group norms were examined across three studies with varying intergroup contexts. Study 1 participants included (N = 199) non‐Arab American participants responding to an Arab American/non‐Arab American intergroup context. Study 2 included (N = 123) non‐Asian and (N = 105) Asian American participants responding to an Asian/non‐Asian American intergroup context. Study 3 included (N = 275) Lebanese participants responding to an American/Lebanese intergroup context. Across all three studies participants responded to ingroup and outgroup deviant group members who challenged their peer groups to either include or exclude an outgroup peer with similar interests. Findings indicated that adolescents approved of peers who challenged exclusive peer norms and advocated for inclusion of an ethnic and cultural outgroup, and disapproved of peers who challenged inclusive group norms and advocated for exclusion. Non‐Arab and non‐Asian American adolescents displayed ingroup bias when evaluating a deviant advocating for exclusion. Additionally, age differences were found among Asian American adolescents. Findings will be discussed in the light of intergroup research on those who challenge injustices.
Chemical Conjugation to Less Targeted Proteinogenic Amino Acids
Authors: Kjærsgaard Nanna L. , Nielsen Thorbjørn B. , Gothelf Kurt V. 
Published: July 2022

AbstractProtein bioconjugates are in high demand for applications in biomedicine, diagnostics, chemical biology and bionanotechnology. Proteins are large and sensitive molecules containing multiple different functional groups and in particular nucleophilic groups. In bioconjugation reactions it can therefore be challenging to obtain a homogeneous product in high yield. Numerous strategies for protein conjugation have been developed, of which a vast majority target lysine, cysteine and to a lesser extend tyrosine. Likewise, several methods that involve recombinantly engineered protein tags have been reported. In recent years a number of methods have emerged for chemical bioconjugation to other amino acids and in this review, we present the progress in this area.
Feruloyl Esterases Protein Engineering to Enhance Their Performance as Biocatalysts: A Review
Authors: Vega‐Rodríguez MS Ana Daniela , Rodríguez‐González Jorge Alberto , Armendáriz‐Ruiz Mariana Antonieta , Asaff‐Torres Ali , Sotelo‐Mundo Rogerio R. , Velasco‐Lozano Susana , Mateos‐Díaz Juan Carlos 
Published: July 2022

AbstractFeruloyl esterases (FAEs) are versatile enzymes able to release hydroxycinnamic acids or synthesize their ester derivatives, both molecules with interesting biological activities such as: antioxidants, antifungals, antivirals, antifibrotic, anti‐inflammatory, among others. The importance of these molecules in medicine, food or cosmetic industries provides FAEs with several biotechnological applications as key industrial biocatalysts. However, FAEs have some operational limitations that must be overcome, which can be addressed through different protein engineering approaches to enhance their thermal stability, catalytic efficiencies, and selectivity. This review aims to present a brief historical tour through the mutagenesis strategies employed to improve enzymes performance and analyze the current protein engineering strategies applied to FAEs as interesting biocatalysts. Finally, an outlook of the future of FAEs protein engineering approaches to achieve successful industrial biocatalysts is given.
Synthetic α‐Helical Peptides as Potential Inhibitors of the ACE2 SARS‐CoV‐2 Interaction
Authors: Engelhardt Pascal M. , Florez‐Rueda Sebastián , Drexelius Marco , Neudörfl Jörg‐Martin , Lauster Daniel , Hackenberger Christian P. R. , Kühne Ronald , Neundorf Ines , Schmalz Hans‐Günther 
Published: July 2022

AbstractDuring viral cell entry, the spike protein of SARS‐CoV‐2 binds to the α1‐helix motif of human angiotensin‐converting enzyme 2 (ACE2). Thus, alpha‐helical peptides mimicking this motif may serve as inhibitors of viral cell entry. For this purpose, we employed the rigidified diproline‐derived module ProM‐5 to induce α‐helicity in short peptide sequences inspired by the ACE2 α1‐helix. Starting with Ac‐QAKTFLDKFNHEAEDLFYQ‐NH2 as a relevant section of α1, a series of peptides, N‐capped with either Ac‐βHAsp‐[ProM‐5] or Ac‐βHAsp‐PP, were prepared and their α‐helicities were investigated. While ProM‐5 clearly showed a pronounced effect, an even increased degree of helicity (up to 63 %) was observed in sequences in which non‐binding amino acids were replaced by alanine. The binding affinities of the peptides towards the spike protein, as determined by means of microscale thermophoresis (MST), revealed only a subtle influence of the α‐helical content and, noteworthy, led to the identification of an Ac‐βHAsp‐PP‐capped peptide displaying a very strong binding affinity (KD=62 nM).
Electrochemical Immobilisation of Glucose Oxidase for the Controlled Production of H2O2 in a Biocatalytic Flow Reactor
Authors: Arshi Simin , Xiao Xinxin , Belochapkine Serguei , Magner Edmond 
Published: July 2022

AbstractElectrochemical methods can be used to selectively modify the surfaces of electrodes, enabling the immobilisation of enzymes on defined areas on the surfaces of electrodes. Such selective immobilisation methods can be used to pattern catalysts on surfaces in a controlled manner. Using this approach, the selective patterning of the enzyme glucose oxidase on the electrodes was used to develop a flow reactor for the controlled delivery of the oxidant H2O2. GOx was immobilised on a glassy carbon electrode using polypyrrole, silica films, and diazonium linkers. The rate of production of H2O2 and the stability of the response was dependent on the immobilisation method. GOx encapsulated in polypyrrole was selected as the optimal method of immobilisation, with a rate of production of 91±11 μM h−1 for 4 hours of continuous operation. The enzyme was subsequently immobilised on carbon rod electrodes (surface area of 5.76 cm2) using a polypyrrole/Nafion® film and incorporated into a flow reactor. The rate of production of H2O2 was 602±57 μM h−1, with 100 % retention of activity after 7 h of continuous operation, demonstrating that such a system can be used to prepare H2O2 at continuous and stable rate for use in downstream oxidation reactions.
Effective Ways to Stabilize Polysulfide Ions for High‐Capacity Li−S Batteries Based on Organic Chalcogenide Catholytes
Authors: Nikiforidis Georgios , Pires Julie , Phadke Satyajit , Anouti Mérièm 
Published: July 2022

AbstractGiven the great promise of lithium‐sulfur (Li−S) batteries as next‐generation high‐capacity energy storage devices, this feature article investigated critical parameters of the cathode, such as pretreatment of elemental sulfur (sublimed, polymerized, and crystallized), size of sulfur particles (19 vs. 35 μm) and aptness of current collector (aluminium vs. carbon paper). At the same time it also demonstrated the applicability of polychalcogenide‐based catholytes (e. g., diphenyl disulfide and diselenide) that exhibited a record specific capacity (3000 mAh g−1 at a C/5 rate) and an energy density of 1853 Wh Kg−1. From tweaking the sulfur nature in the cathode, where small‐sized polymerized sulfur was found to promote the carbon‐sulfur bond on the surface of carbon nanotubes, to trapping the polysulfide ions to formulate organochalcogenide‐based catholytes, our study provided fundamental insights into key battery performance parameters as well as sulfur‐polysulfide electrochemistry, inspiring future designs of such battery systems and more.
Reverse Replacement in NH2‐MIL‐125 with 1,4‐Dicarboxybenzene for Enhanced Photocatalytic Hydrogen Generation
Authors: Zhang Yijun , Wen Chunfang , Wu Xuefeng , Liu Peng Fei , Yang Hua Gui 
Published: July 2022

AbstractMetal‐organic frameworks (MOFs) constructed by ligands and metal clusters, have been considered as a promising material for photocatalytic water splitting. In this work, a solvent‐assisted ligand exchange (SALE) method has been applied through partial reverse substitution of the ligand in NH2‐MIL‐125 (Ti) by 1,4‐dicarboxybenzene (BDC). This modification strategy can optimize the charge transfer dynamics together with the preserved light absorption, resulting in a 3.3 times higher hydrogen production rate compared to the pristine material under visible‐light irradiation. This work broadens the field of ligand modifications of MOFs to boost the photocatalytic performance.
Chemistry of Pentafluorosulfanyl Derivatives and Related Analogs: From Synthesis to Applications
Authors: Kordnezhadian Reza , Li Bing‐Yu , Zogu Armir , Demaerel Joachim , De Borggraeve Wim M. , Ismalaj Ermal 
Published: July 2022

AbstractPentafluorosulfanyl (SF5)‐containing compounds and corresponding analogs are a highly valuable class of fluorine‐containing building blocks owing to their unique properties. The reason for that is the set of peculiar and tremendously beneficial characteristics they can impart on molecules once introduced onto them. Despite this, their application in distinct scientific fields remains modest, given the extremely harsh reaction conditions needed to access such compounds. The recent synthetic approaches via S−F, and C−SF5 bond formation as well as the use of SF5‐containing building blocks embody a “stairway‐to‐heaven” loophole in the synthesis of otherwise‐inaccessible chemical scaffolds only a few years ago. Herein, we report and evaluate the properties of the SF5 group and analogs, by summarizing synthetic methodologies available to access them as well as following applications in material science and medicinal chemistry since 2015.
Pseudo empirical likelihood inference for nonprobability survey samples
Authors: Chen Yilin , Li Pengfei , Rao J. N. K. , Wu Changbao 
Published: July 2022

AbstractIn this article, we first provide an overview of two major developments on complex survey data analysis: the empirical likelihood methods and statistical inference with nonprobability survey samples. We highlight the important research contributions to the field of survey sampling in general and the two topics in particular by Canadian survey statisticians. We then propose new inferential procedures for analyzing nonprobability survey samples through the pseudo empirical likelihood approach. The proposed methods lead to point estimators asymptotically equivalent to those discussed in the recent literature but with more desirable features on confidence intervals such as range‐respecting and data‐driven orientation. Results from a simulation study demonstrate the superiority of the proposed methods in dealing with binary response variables.
Expression and localization of neuronal nitric oxide synthase in the brain and sensory tissues of the African cichlid fish Astatotilapia burtoni
Authors: Mobley Robert B. , Ray Emily J. , Maruska Karen P. 
Published: July 2022

AbstractNitric oxide (NO) produced by the enzyme neuronal nitric oxide synthase serves as an important neurotransmitter in the central nervous system that is involved in reproductive regulation, learning, sensory processing, and other forms of neural plasticity. Here, we map the distribution of nnos‐expressing cells in the brain and retina of the cichlid fish Astatotilapia burtoni using in situ hybridization. In the brain, nnos‐expressing cells are found from the olfactory bulbs to the hindbrain, including within specific nuclei involved in decision‐making, sensory processing, neuroendocrine regulation, and the expression of social behaviors. In the retina, nnos‐expressing cells are found in the inner nuclear layer, presumably in amacrine cells. We also used quantitative PCR to test for differences in nnos expression within the eye and olfactory bulbs of males and females of different reproductive states and social statuses. In the eye, males express more nnos than females, and socially dominant males express more nnos than subordinate males, but expression did not differ among female reproductive states. In the olfactory bulbs, dominant males had greater nnos expression than subordinate males. These results suggest a status‐specific function for NO signaling in the visual and olfactory systems that may be important for sensory perception related to mating or territorial interactions to maintain the social hierarchy. The widespread distribution of nnos‐expressing cells throughout the cichlid brain is similar to that in other teleosts, with some conserved localization patterns across vertebrates, suggesting diverse functions for this important neurotransmitter system.
A Theoretical Investigation of Cu+, Ni2+ and Co2+‐Exchanged Zeolites for Hydrogen Storage
Authors: Ozbek M. Olus , Ipek Bahar 
Published: July 2022

AbstractThis study investigates the H2 adsorption on Cu+, Ni2+ and Co2+‐exchanged SSZ‐13 (CHA) and SSZ‐39 (AEI) using periodic DFT computations. The most stable Cu+ position was found to be the 6‐membered‐ring window for both zeolites. Similarly, for the investigated Ni2+ and Co2+ loadings on 6‐membered‐ring windows, the third nearest neighbor Al positions, i. e., Al−O−Si−O−Si−O−Al coordination, was found to be the most stable position. H2 adsorption was investigated for all the Cu+, Ni2+ and Co2+ centers. AEI and CHA resulted in similar H2−Cu interactions for the Al and B substituted structures. H2 adsorption on Cu+ located in the 8‐membered‐ring gave the highest adsorption energy for both frameworks. Replacing Al with B in the framework increased the electron back donation from Cu+ (3d) orbitals to H2 antibonding orbital (σH2*). The H2 adsorption energies on the Ni2+ and Co2+‐exchanged zeolites were found to be between −15 and −44 kJ/mol. Higher energy values were observed on the AEI framework, especially when two Al atoms have the Al−O−Si−O−Al configuration. Lesser interaction of the d‐orbitals in the case of the Co2+ and Ni2+ cations resulted in heat of H2 adsorption close to optimum values required for H2 storage on porous materials.
Bowl‐shaped Cluster CuB12−: A Viable Global Minimum with Twofold Aromaticity
Authors: Solar‐Encinas José , Leyva‐Parra Luis , Yáñez Osvaldo , Inostroza Diego , Barrios‐Llacuachaqui Julio R. , Vásquez‐Espinal Alejandro , Orellana Walter , Tiznado William 
Published: July 2022

AbstractA low‐lying structure is revealed for the CuB12−cluster, which is bowl‐shaped. It consists of a triangular CuB2base and a B10rim. Molecular dynamics simulations indicates its structural robustness; at an elevated temperature (600 K), the base rotates reversibly within the B10perimeter. Chemical bonding analysis detects 2σ‐ and 3π‐delocalized bonds, suggesting double aromaticity. This is also confirmed by two diatropic and concentric ring currents under an external magnetic field.
Preservation and Encryption in DNA Digital Data Storage
Authors: Zhang Yi , Ren Yubin , Liu Yangyi , Wang Fan , Zhang Hongjie , Liu Kai 
Published: July 2022

AbstractThe exponential growth of the total amount of global data presents a huge challenge to mainstream storage media. The emergence of molecular digital storage inspires the development of the new‐generation higher‐density digital data storage. In particular, DNA with high storage density, reproducibility, and long recoverable lifetime behaves the ideal representative of molecular digital storage media. With the development of DNA synthesis and sequencing technologies and the reduction of cost, DNA digital storage has attracted more and more attention and achieved significant breakthroughs. Herein, this Review briefly describes the workflow of DNA storage, and highlights the storage step of DNA digital data storage. Then, according to different information storage forms, the current DNA information encryption methods are emphatically expounded. Finally, the brief perspectives on the current challenges and optimizing proposals in DNA information preservation and encryption are presented.
Therapeutic potential of targeting the receptor for advanced glycation end products (RAGE) by small molecule inhibitors
Authors: Singh Harbinder , Agrawal Devendra K. 
Published: July 2022

AbstractReceptor for advanced glycation end products (RAGE) is a 45 kDa transmembrane receptor of immunoglobulin family that can bind to various endogenous and exogenous ligands and initiate the inflammatory downstream signaling pathways. RAGE is involved in various disorders including cardiovascular and neurodegenerative diseases, cancer, and diabetes. This review summarizes the structural features of RAGE and its various isoforms along with their pathological effects. Mainly, the article emphasized on the translational significance of antagonizing the interactions of RAGE with its ligands using small molecules reported in the last 5 years and discusses future approaches that could be employed to block the interactions in the treatment of chronic inflammatory ailments. The RAGE inhibitors described in this article could prove as a powerful approach in the management of immune‐inflammatory diseases. A critical review of the literature suggests that there is a dire need to dive deeper into the molecular mechanism of action to resolve critical issues that must be addressed to understand RAGE‐targeting therapy and long‐term blockade of RAGE in human diseases.
Interspecific coprophagia by wild red foxes:DNAmetabarcoding reveals a potentially widespread form of commensalism among animals
Authors: Waggershauser Cristian N. , Taberlet Pierre , Coissac Eric , Kortland Kenny , Hambly Catherine , Lambin Xavier 
Published: July 2022

AbstractVertebrate animals are known to consume other species' faeces, yet the role of such coprophagy in species dynamics remains unknown, not least due to the methodological challenges of documenting it. In a large‐scale metabarcoding study of red fox and pine marten scats, we document a high occurrence of domestic dog DNA in red fox scats and investigate if it can be attributed to interspecific coprophagia. We tested whether experimental artifacts or other sources of DNA could account for dog DNA, regressed dog occurrence in the diet of fox against that of the fox’s main prey, short‐tailed field voles, and consider whether predation or scavenging could explain the presence of dog DNA. Additionally, we determined the calorific value of dog faeces through calorimetric explosion. The high occurrence of dog DNA in the diet of fox, the timing of its increase, and the negative relationship between dog and the fox's main prey, point to dog faeces as the source of DNA in fox scats. Dog faeces being highly calorific, we found that foxes, but not pine martens, regularly exploit them, seemingly as an alternative resource to fluctuating prey. Scattered accounts from the literature may suggest that interspecific coprophagia is a potentially frequent and widespread form of interaction among vertebrates. However, further work should address its prevalence in other systems and the implications for ecological communities. Tools such as metabarcoding offer a way forward.
Density‐dependent demography and movements in a cyclic brown lemming population
Authors: Fauteux Dominique , Gauthier Gilles 
Published: July 2022

AbstractTheoretical modeling predicts that both direct and delayed density‐dependence are key factors to generate population cycles. Deciphering density‐dependent processes that lead to variable population growth characterizing different phases of the cycles remains challenging. This is particularly the case for the period of prolonged low densities, which is inherently data deficient. However, demographic analyses based on long‐term capture–mark–recapture datasets can help resolve this question. We relied on a 16‐year (2004–2019) live‐trapping program to analyze the summer demography and movements of a cyclic brown lemming population in the Canadian Arctic. More specifically, we examined if inversely density‐dependent processes could explain why population growth can remain low during the prolonged low phase. We found that the proportion of females in the population was inversely density‐dependent with a strong male‐biased sex ratio at low densities but not at high densities. However, survival of adult females was higher than adult males, but both had lower survival at low densities than at high ones. Distances moved by both adult males and females were density‐dependent, and proportion of females in reproductive condition was weakly density‐dependent as it tended to increase at low density. Individual body condition, measured as monthly change in body mass, was not density‐dependent. Overall, the strong male‐biased sex ratio at very low densities suggests a loss of reproductive potential due to the rarity of females and appears to be the most susceptible demographic factor that could contribute to the prolonged low phase in cyclic brown lemmings. What leads to this sex‐bias in the first place is still unclear, potentially owing to our trapping period limited to the summer, but we suggest that it could be due to high predation rate on breeding females in winter.
Ion Pairing in Cationic Au(I)(μ‐H)2WCp2 Bimetallic Dihydrides
Authors: Landrini Martina , De Paolis Elena , Macchioni Alceo , Tensi Leonardo , Hrobárik Peter , Rocchigiani Luca 
Published: July 2022

AbstractThe interionic structure in solution of a series of [LAu(μ‐H)2WCp2][BF4] ion pairs (L=N‐heterocyclic carbene, phosphine or phosphite) has been elucidated by means of heteronuclear NOE and diffusion NMR. Selective ion pairing based on specific metallocene‐anion interactions has been observed for all species. The ancillary ligand L plays only a minor role in dictating the availability of secondary ion pair structures, mainly owing to steric factors. DFT calculations have indicated that the tungstenocene fragment delocalizes most of the positive charge and acts as the preferential anion anchoring point. Even though the interaction is highly specific, ion association in CD2Cl2 is not enhanced and the typical aggregation behavior of linear Au(I) ion pairs is observed.