bluuebunny/crossref_metadata_2025_split huggingface dataset:
Study on vibrational spectroscopy, molecular property, UV-VIS, HOMO-LUMO energies and MEP analysis of N-[2-(4-Bromo-benzoyl)-benzofuran-3-yl]-acrylamide monomer by DFT method
Authors: Barim Esra , Akman Feride 
Published: December 2021

Purpose
This study aimed the synthesis and theoretical/experimental characterization of novel benzofuran-based acrylamide monomer.

Design/methodology/approach
Novel N-substituted acrylamide monomer, i.e. N-[2–(4-Bromo-benzoyl)-benzofuran-3-yl]-acrylamide (BBFA), was synthesized by reacting (3-Amino-benzofuran-2-yl)-(4-bromophenyl) methanone with acryloylchloride at 0–5oC. Nuclear magnetic resonance (1H-NMR), infrared (FT-IR) and UV-Visible spectrophotometer were used to elucidate the chemical structure of BBFA. Computational studies were performed using the DFT (B3LYP) method on the basis of 6-31 + G (d, p) using Gaussian 09 W and Gauss View 5.0 package in addition to the VEDA program, gauge-independent atomic orbital (GIAO) and time-dependent density functional theory (TD-DFT) methods.

Findings
Molecular geometry and vibration assignments of the BBFA monomer were calculated. The molecular structure of the monomer was examined. Both longest and shortest bonds were determined in the structure. The nucleophilic and electrophilic regions of the monomer were determined. The theoretical spectroscopic data of the monomer were compared with the experimental data; both were consistent with each other. The chemical reactivity of the monomer was also determined.

Originality/value
The synthesized BBFA monomer can be evaluated in many areas; from medicine to industry (such as textiles) owing to the presence of various active functional groups. Indeed, acrylamide copolymers are remarkable materials for polymer science and industry. The data produced in this study is original and adds to the scientific community.
Joint inversion of Rayleigh wave fundamental and higher order mode phase velocity dispersion curves using multi‐objective grey wolf optimization
Authors: Vashisth Divakar , Shekar Bharath , Srivastava Shalivahan 
Published: December 2021

AbstractRayleigh wave dispersion curves can be inverted to retrieve subsurface seismic velocity profiles. The inverse problem is ill‐posed, nonlinear and poorly conditioned, necessitating the application of global optimization methods. We present the application of the multi‐objective grey wolf optimization algorithm to perform joint inversion of the phase velocity dispersion curves corresponding to the fundamental and higher order modes of Rayleigh waves to obtain shear (S‐) and primary (P‐) wave velocity profiles. Multi‐objective grey wolf optimization is an extension of the grey wolf optimization algorithm for application to multi‐objective optimization and can be adapted to solve joint inversion problems. We compare the joint inversion results obtained from the multi‐objective grey wolf optimizer with those obtained from Markov chain Monte Carlo and fundamental mode inversion using the grey wolf optimizer on synthetic examples. The errors associated with phase velocity measurements are simulated by adding frequency‐dependent noise, with a higher level of noise added to the phase velocities corresponding to lower frequencies as compared to the higher frequencies. In the multimode joint inversion problem, the multi‐objective grey wolf optimizer gives a suite of solutions corresponding to each model parameter. The suite of S‐wave and P‐wave velocity profiles estimated from the multi‐objective grey wolf optimizer matches closely with the true model for the synthetic case studies even in the presence of noise. However, the suite of solutions has a greater spread for the last few layers, qualitatively indicating a higher degree of uncertainty in the predicted model parameter. The uncertainty in the solution for the deeper layers is a consequence of the uncertainty in the phase velocity at lower frequencies. We demonstrate the efficacy of the algorithm on recorded data from a shallow seismic survey conducted at the Indian Institute of Technology Bombay. The results from the multi‐objective grey wolf optimizer are in close agreement with those from Markov chain Monte Carlo, and the depth of investigation is found to be greater in comparison to results from refraction traveltime inversion.
Anthropogenic land‐use change shapes bird diversity along the eastern Himalayan altitudinal gradient
Authors: Penjor Ugyen , Jamtsho Rinzin , Sherub Sherub 
Published: December 2021

Abstract

Globally, the conversion of natural forest into agricultural land and human settlement has altered avian diversity and structure often leading to functional and/or phylogenetic homogenisation. While the effects of land‐use change on avian functional diversity (FD) and phylogenetic diversity (PD) is well studied in the tropics, it is poorly understood and scarcely studied in the Himalayas let alone in eastern Himalayan bird communities.

Using data from replicated transect surveys, we investigated the effects of land‐use change (agriculture, settlement and forest) on the community diversity and structure of 336 bird species while accounting for imperfect detection across 679‐point count locations along an elevational gradient in the eastern Himalayan biodiversity hotspot of Bhutan.

The main findings of our study are (a) bird community occupancy along the elevational gradient is negatively associated with human land use (agriculture and settlement), (b) bird assemblages at higher elevations were functionally and phylogenetically clustered and (c) agriculture and settlement harboured disproportionately higher FD and PD whereas forest had phylogenetically diverse communities within functionally convergent traits.

Synthesis and applications. Our findings suggest that high functional diversity in agriculture and settlement offers an opportunity for a broad range of ecosystem services such as pollination, insect‐ and rodent‐pest control. Agricultural practices that protect and improve bird‐friendly habitats (particularly for insectivores) should be promoted. To facilitate coexistence, educational programmes on the importance of the functional roles of birds should be implemented to raise farmers' awareness of the importance of farmland biodiversity. Management interventions should seek to integrate bird conservation and farm production. Safeguarding edge habitats and forests abutting human settlements would be key to promoting phylogenetically diverse assemblages and ecological functions in Himalayan working landscapes.
The widespread trade in stingless beehives may introduce them into novel places and could threaten species
Authors: dos Santos Charles Fernando , Acosta André Luis , Halinski Rosana , Souza‐Santos Patrick Douglas , Borges Rafael Cabral , Gianinni Tereza Cristina , Blochtein Betina 
Published: December 2021

Abstract

Animal trade, such as birds, mammals and reptiles, is a common human activity. Among insects, few are as charismatic as bees. Their hives are commonly commercialized for multiple purposes, such as honey production, crop pollination and leisure. However, hive trade has the potential to adversely introduce species into novel places in a widespread way.

Our main objectives were to evaluate the trade flow of stingless beehives in Brazil by comparing the geographical distances and climatic features between origin and destination as well as by determining the potential impact on endangered (EN) native bee species.

We performed species distribution modelling to estimate their respective natural habitats. After that, we carried out a principal component analysis characterizing the climatic features found within their natural habitats and those where bees were negotiated. Subsequently, we applied hierarchical clustering followed by a Procrustes analysis to evaluate the contrast between the climatic niches of original and destination places. We also checked the conservation status of each species being commercialized and whether exotic species could be introduced within their areas.

At least nine species of stingless bees were negotiated during the surveyed period. The hives were requested for almost 100 different localities. Over 40% of sellers and buyers were located outside the natural range of the stingless bee species being negotiated, and half of interested people were as far as 320 km. Climatic features vary considerably between natural habitat and traded regions. This implies that some species might suffer and perish due to intolerance to new climatic features. Nonetheless, species can be taken to new areas that are climatically suitable, creating a risk of biological introduction and invasion events. Finally, most hives were requested in places where equivalent bee species are under EN status.

Synthesis and application. Even if managed in hives, exotic stingless bees are flying insects, meaning that they may interact and compete for resources with local bee populations. Therefore, stingless beehive displacement for non‐native places and at large spatial scales should be prevented in negotiations to safeguard their welfare and the sustainability of local populations in the long term.
Soil fauna accelerate litter mixture decomposition globally, especially in dry environments
Authors: Njoroge Denis Mburu , Chen Si‐Chong , Zuo Juan , Dossa Gbadamassi G. O. , Cornelissen Johannes H. C. 
Published: December 2021

Abstract

More than half of the net primary production in terrestrial ecosystems returns to the soil through leaf litter fall and decomposition. In terrestrial ecosystems, litter constitutes a mixture of mainly senescent foliage from multiple species. Yet, the effect of litter mixing on litter decomposition rate remains ambiguous. Quantification of the soil fauna contribution and inclusion of their interaction with litter could remove the prevailing ambiguity, as soil fauna might influence the direction and magnitude of litter mixture effects on decomposition.

We carried out a global meta‐analysis to elucidate how soil fauna influenced litter mixture decomposition rate based on 55 published studies with 873 fauna inclusion/exclusion observations in field litterbag experiments. We hypothesized that soil fauna inclusion in litter mixture experiments would cause a positive change in the magnitude of mixed litter decomposition. That is, the presence of soil fauna would lead to synergistic litter mixture effects while the absence of soil fauna would lead to antagonistic litter mixture effects. Furthermore, we hypothesized that soil fauna would have a greater positive impact on the litter mixture effect in environments with low precipitation.

While litter mixture had a neutral effect on decomposition on average across studies, non‐additive mixture effects were common, with a key role for soil fauna, which generally enhanced decomposition rate compared to the component single‐species litters. In contrast, fauna exclusion resulted in diminished decomposition rate overall. The overall synergistic soil fauna effect on litter mixture decomposition increased under low precipitation. Under high precipitation, the litter mixture effect was positive in the absence of soil fauna but non‐significant in the presence of fauna. Climate imposes a great effect on litter mixture, with synergistic effects increasing towards the equator.

Synthesis. These results highlight the importance of soil fauna in mixed litter decomposition, most strongly in dry environments. In this era of global climate change, where some regions are projected to become drier, soil fauna might compensate the expected slower decomposition of litter by increasingly enhancing litter mixture decomposition.
Moral reasoning, emotion understanding, and callous‐unemotional traits in early‐to‐middle childhood
Authors: Northam Jaimie C. , Kurukulasuriya Nadezhda , Hunt Caroline , Hawes David J. 
Published: December 2021

AbstractRelatively little is known about features of moral reasoning among young children with callous‐unemotional (CU) traits (e.g., lack of guilt and empathy). This study tested associations between CU traits and emotion attributions (i.e., identification of others’ emotional states) and justifications (i.e., explanations for those emotional states), across social scenarios involving discreet versus salient distress cues. The participants were boys aged 6‐to‐10 years (N = 50; Mage = 7 years 7 months), who were interviewed about 12 hypothetical scenarios (eight with discreet and four with salient distress cues). Regression models indicated that CU traits, in interaction with high levels of antisocial behaviour, were associated with reduced emotion attributions of fear in discreet but not salient immoral scenarios. Higher CU traits were also associated with reduced justifications referencing others’ welfare in discreet scenarios, and increased references to action‐orientated justifications in salient scenarios. These findings suggest that CU traits are associated with early moral reasoning impairments and that salience of distress may be important to these processes.
Design, synthesis, and molecular modeling of quinoline‐based derivatives as anti‐breast cancer agents targeting EGFR/AKT signaling pathway
Authors: Batran Rasha Z. , El‐Daly Sherien M. , El‐Kashak Walaa A. , Ahmed Eman Y. 
Published: December 2021

AbstractTwo series of quinoline–thiazole and quinoline–thiazolidinone hybrids were designed, synthesized, and evaluated for their in vitro antitumor activity on MCF‐7 breast cancer cell line. In comparison with lapatinib (IC50 = 4.69 µM), compounds 4b and 6b exhibited the best antiproliferative activity with IC50 values of 33.19 and 5.35 µM, respectively. Although compound 6b showed higher cytotoxicity, compound 4b exhibited better inhibitory activity toward the epidermal growth factor receptor (EGFR) pathway than compound 6b as represented by the significant reduction in the EGFR kinase activity and the levels of phosho‐EGFR and phosho‐AKT when compared to lapatinib as a reference standard. Moreover, compound 4b was capable of down‐regulating the anti‐apoptotic genes Bcl‐2 and survivin and up‐regulating the level of the pro‐apoptotic gene BAX. Molecular modeling study was carried out to predict the binding interactions of both compounds into the target kinase. Finally, the physicochemical properties were investigated in silico as well.
Some important inhibitors and mechanisms of rheumatoid arthritis
Authors: Zhou Shiyang , Huang Gangliang 
Published: December 2021

AbstractRheumatoid arthritis (RA) is a chronic disease that seriously affects human health and quality of life, and it is one of the main causes of labor loss and disability. Many countries have listed rheumatoid arthritis as one of the national a key diseases to tackle. The pathogenesis of RA in humans is still unknown, and medical researchers believe that the pathogenesis of RA may be the result of a combination of genetic and environmental factors. RA is an incurable condition that can only be controlled and treated with conventional drugs. In this paper, the pathologic features and pathogenesis of RA were introduced, and the research progress of new anti‐rheumatoid arthritis chemical drugs in recent years was reviewed.
Risk of malignancy and outcomes of surgically resected presacral tailgut cysts: A current review of the Mayo Clinic experience
Authors: Broccard Sacha P. , Colibaseanu Dorin T. , Behm Kevin T. , Mishra Nitin , Davis Peter , Maimone Kristi L. , Mathis Kellie L. , Stocchi Luca , Dozois Eric J. , Merchea Amit 
Published: December 2021

AbstractAimThe aim of this study was to describe the surgical management, outcomes and risk of malignancy of presacral tailgut cysts.MethodA retrospective analysis of all patients who underwent resection of tailgut cyst at Mayo Clinic in Arizona, Florida and Minnesota between 2008 and 2020 was performed. Demographics, presentation, evaluation, surgical approach, postoperative complications, pathology and recurrence rates were reviewed.ResultsSeventy‐three patients were identified (81% female) with a mean age of 45 years. Thirty‐nine patients (53%) were symptomatic, most commonly with pelvic pain (26 patients). Digital rectal examination identified a palpable mass in 68%. Mean tumour size was 6 cm. Resection was primarily performed through a posterior approach (77%, n = 56), followed by a transabdominal approach (18%, n = 13) and a combined approach (5%, n = 4). Six patients underwent a minimally invasive resection (laparoscopic/robotic). Coccygectomy or distal sacrectomy was performed in 41 patients (56%). Complete resection was achieved in 94% of patients. Thirty‐day morbidity occurred in 18% and was most commonly wound related; there was no mortality. Malignancy was identified in six patients (8%). For the 30 patients with follow‐up greater than 1 year, the median follow‐up was 39 months (range 1.0–11.1 years). Local recurrence was identified in three patients and distant metastatic disease in one patient.ConclusionThe rate of malignancy in presacral tailgut cysts based on this current review was 8%. Overall recurrence was 5% at a median of 24 months.
Usefulness of linked color imaging for the detection of obscure early gastric cancer: Multivariate analysis of 508 lesions
Authors: Khurelbaatar Tsevelnorov , Miura Yoshimasa , Osawa Hiroyuki , Nomoto Yoshie , Tokoro Shinnosuke , Tsunoda Masato , Sekiguchi Hiromi , Kobayashi Takuma , Funayama Yohei , Nagayama Manabu , Takezawa Takahito , Mieno Makiko , Ueno Takashi , Fukuda Hisashi , Iwashita Chihiro , Takahashi Haruo , Ino Yuji , Kawarai Lefor Alan , Yamamoto Hironori 
Published: December 2021

ObjectivesEarly gastric cancers (EGCs) of the elevated type or with submucosal invasion are easily found by routine endoscopy. However, most early cancers are challenging to detect because of subtle morphological or color differences from surrounding atrophic mucosa and intestinal metaplasia. Linked color imaging (LCI) enhances mucosal color difference, making it easier to detect EGCs. The aim of this study is to clarify the advantages and possible disadvantages of LCI for screening for obscure EGC.MethodsA total of 665 malignant gastric lesions resected using endoscopic submucosal dissection between January 2015 and April 2018 were retrospectively reviewed. Obviously detectable lesions were not included in the main analysis when determining the target lesion. White light imaging (WLI)/LCI images of 508 endoscopically obscure malignant lesions were included in the final analysis and evaluated by three non‐expert and three expert endoscopists using visibility scores for detection and extent.ResultsThe detection visibility scores using LCI were significantly higher than those using WLI regardless of lesion characteristics including location, size, histological type, depth of invasion, and Helicobacter pylori status. The detection score improved in 46.4% cases and deteriorated in 4.9% when the modality changed from WLI to LCI. A mixed‐effects multivariate logistic regression analysis showed that use of LCI (odds ratio [OR] 2.57), elevated type (OR 1.92), invasion to submucosa (OR 2.18) were significantly associated with improved visibility of EGC.ConclusionsLinked color imaging significantly improves visibility of EGC regardless of differences in lesion morphology, histology, location, depth of invasion, and H. pylori status compared to conventional WLI.
Impact of the special care dentistry education on Malaysian students’ attitudes, self‐efficacy and intention to treat people with learning disability
Authors: Mohamed Rohani Maryani , Ahmad Fuad Natrah , Ahmad Mas Suryalis , Esa Rashidah 
Published: December 2021

AbstractIntroductionSpecial Care Dentistry (SCD) education has been introduced in Malaysia, but there are limited number of studies about its impact to students. Thus, this study aimed to explore the level of students’ readiness to treat people with learning disability (PWLD) based on their attitudes, self‐efficacy and intention to treat.MethodsA questionnaire was developed based on the Dental Student Attitude to the Handicapped Scale, Scale of Attitudes to the Disabled Persons and Health Action Process Approach. The self‐administered, validated questionnaire was tested for reliability (Cronbach's alpha = .71–.81), before being distributed to clinical dental students of both genders from two universities (University A, n = 176 and University B, n = 175). Quantitative data were analysed via t test and ANOVA (p < .05) using the SPSS software.ResultsThere was no significant difference in mean total attitude score between the universities, although dental students from University A, who mostly reported having received hands‐on clinical experience in SCD and exposure to Disability Equality Training (DET), showed significantly higher individual mean attitude score for 5 (out of 24) attitudinal items. The mean total self‐efficacy score and individual mean self‐efficacy score for 1 (out of 5) self‐efficacy items were also significantly higher amongst University A dental students. The intention to treat PWLD was not significantly influenced by university, gender or year of study.ConclusionIncorporation of SCD education in the undergraduate curriculum, with hands‐on clinical experience and exposure to DET, is recommended to equip students to be efficient oral healthcare providers for PWLD.
How Did Students Engage with a Remote Educational Assessment? A Case Study
Authors: Guo Hongwen 
Published: December 2021

AbstractMany educational summative and formative assessments have been transferred to a remote online setting because of the pandemic. Educational professionals and stakeholders have shown interest in learning how this change in the test mode influenced test takers; that is, whether test‐taking experiences in a remote test setting were different from those in a standard test center setting. We propose an innovative approach that makes use of log data collected from the digital platforms of a high‐stakes international test and applies data‐mining techniques to address the mode effect. In the study, the test‐taking behaviors were measured by where students spent their time during the test, extracted from log files collected from both remote test and test center modes. Results showed that four distinct clusters existed among students' test‐taking behaviors, regardless of the test modes and students' test scores. Within each cluster, statistically significant behavioral differences existed between the two mode groups; however, the magnitude of the mode effect was limited by where students spent their time during the test.