bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Characterization, Photoluminescence Properties and Antiproliferative Activity of New Pd(II), Ni(II) and Cu(II) Mixed Complexes Bearing Schiff Base Ligand and 1,10‐phenanthroline
Authors: Sogukomerogullari Hatice Gamze , Başaran Eyüp , Sarıoğlu Ahmet Oral , Köse Ayşegül , Akkoç Senem 
Published: June 2023

AbstractIn this study, new mixed ligand Cu(II), Ni(II) and Pd(II) metal complexes were synthesized and characterized by NMR (for ligand), UV‐Vis, elemental analysis, FT‐IR, molar conductivity techniques. While the octahedral structure is recommended for Cu(II) and Ni(II) complexes, the square plane structure is recommended for the Pd(II) complex. The compounds lack conductivity traits indicating their non‐electrolyte nature in solution. Photoluminescence properties of the synthesized mixed ligand complexes were investigated. These three complexes showed emission bands when excited at their maximum absorbances. The excitation/emission bands of the Pd(II) complex shifted to higher (red) wavelengths when compared to the Cu(II) and Ni(II) complexes. The Pd(II) complex showed the Stokes shift of 26 nm. These metal complexes were screened for their anticancer activities against the colon cancer (DLD‐1) and lung cancer (A549) cell lines. The results show that these complexes have antiproliferative activity. In particular, two of the complexes (Pd(II) and Cu(II)) were found to have a higher cytotoxic effect than the positive control drug cisplatin with low IC50 values.
Rotation of the η3‐Propargyl Ligand in [(C6Me5H)M(CO)2(η3‐C3H3)]+ (M=Cr, Mo, W) Complexes
Authors: Chamkin Aleksandr A. , Taits Elena S. , Krivykh Vasily V. 
Published: June 2023

AbstractThe dynamic behaviour of η3‐propargyl ligand in [(C6Me5H)M(CO)2(η3‐C3H3)]+ (comp : M, M=Cr, Mo, W) complexes was systematically studied using computational chemistry approaches. Two isomerization pathways were assessed: a simple rotation of the propargyl fragment around the metal‐ligand axis and the η3‐η1 hapticity slippage of the propargyl ligand. The former mechanism possesses the activation energies of +25.9 (comp : Cr), +20.7 (comp : Mo), and +20.3 kcal mol−1 (comp : W) and is feasible at near‐room temperatures. The η3‐η1 partial decoordination requires essentially the same energy for comp : Cr (+25.8 kcal mol−1) but is hindered for comp : Mo and comp : W (>+30 kcal mol−1). To analyse the factors that influenced these trends, the binding of analogous comp : M and η3‐allyl complexes was studied using the local energy decomposition method.
Density Function Theory Predicted Carbon Allotropes: Recent Developments
Authors: Kharisov Boris I. , Kharissova Oxana V. , González Lucy T. , Peña Méndez Yolanda , Uflyand Igor E. , Kulkarni. Naveen 
Published: June 2023

AbstractThe most recent data on experimentally undiscovered carbon allotropes, predicted by the Density Function Theory (DFT), are reviewed. Classic carbon allotropes, graphenes, carbon nanotubes, fullerenes and their hybrids are being studied using DFT and related methods, resulting a host of potentially existing forms based on 5‐, 6‐, 7‐member cycles and their distinct combinations. Also known are cyclocarbons and large carbon clusters, nanobelts and nanoribbons, liquid, metallic, semiconductive and superhard carbons, which could exist under high or low pressures. These carbon allotropes can contain C atoms in the same hybridization state or be as their mixture, for example sp2+sp3. For several carbon allotropes, possible synthesis methods, properties and applications are proposed.
Unraveling the Mechanism of Alkali Metal Fluoride Post‐Treatment of SnO2 for Efficient Planar Perovskite Solar Cells
Authors: Hoang Minh Tam , Yang Yang , Chiu Wei Hsun , Yu Yongyue , Pham Ngoc Duy , Moonie Paul , Koplick Andrew , Tulloch Gavin , Martens Wayde , Wang Hongxia 
Published: June 2023

AbstractThe facile synthesis and beneficial properties of tin oxide have driven the development of efficient planar perovskite solar cells (PSCs). To increase the PSC performance, alkali salts are used to treat the SnO2 surface to minimize the defect states. However, the underlying mechanism of alkali cations' role in the PSCs needs further exploration. Herein the effect of alkali fluoride salts (KF, RbF, and CsF) on the properties of SnO2 and PSC performance is investigated. The results show different alkali have significant roles depending on their nature. Larger cations Cs+ preferably locate at the SnO2 film surface to passivate surface defects and enhance conductivity, while smaller cations like Rb+ or K+ cations tend to diffuse into the perovskite layer to reduce trap density of the material. The former effect leads to enhanced fill factor while the latter effect increases the open circuit voltage of the device. It is then demonstrated that a dual cation post‐treatment of the SnO2 layer with RbF and CsF achieves PSC with a significantly higher power conversion efficiency (PCE) of 21.66% compared to pristine PSC with a PCE of 19.71%. This highlights the significance of defect engineering of SnO2 using selective multiple alkali treatment to improve PSC performance.
A new vampyromorph species from the Middle Jurassic La Voulte‐sur‐Rhône Lagerstätte
Authors: Rowe Alison J. , Kruta Isabelle , Villier Loïc , Rouget Isabelle 
Published: June 2023

AbstractEight coleoid genera have so far been described from the Callovian‐aged La Voulte‐sur‐Rhône Lagerstätte (c. 165 Ma; Ardèche, France), a locality noted for its unique three‐dimensional preservation of soft tissues. Here, we used high resolution x‐ray‐based imaging methods, in conjunction with reflectance transformation imaging, to study the soft tissues of a previously undescribed coleoid from the La Voulte‐sur‐Rhône locality. This analysis identified both an ink sac and internal light organs, a combination of defence mechanisms present in the Recent, although not previously described from the coleoid fossil record, as well as the presence of Octobrachia‐type arm musculature and Vampyroteuthis‐like sucker attachments. The morphology of the gladius could not be attributed to any known coleoids and therefore justified the assignment of this single specimen to a new taxon: Vampyrofugiens atramentum. The addition of this new vampyromorph species not only increases the coleoid diversity known from the site, but also broadens the morphological variation observed in the co‐occurring coleoid taxa. These findings suggest that there was a high diversity of cephalopods occupying differentiated communities during the Middle Jurassic.
Liabilities of origin and its influence on firm's corporate social performance? A study of emerging market multinational corporations
Authors: Venugopal Ajith , Al‐Shammari Marwan , Thotapalli Prasad M. V. , Fuad Mohammad 
Published: June 2023

AbstractThis study draws upon the institutional‐based view to examine how home country institutional voids affect the corporate social performance (CSP) of emerging market multinational corporations (EMNCs). We propose that home country institutional voids of EMNCs are positively related to CSP. We also argue that EMNCs' internationalization and visibility will further augment the above relationships. We tested our hypotheses using a sample of 89 EMNCs from 10 countries from 2009 to 2018 and found support for our arguments. Our findings show that EMNCs use CSP to overcome the liabilities of origin due to their home‐country institutional voids. Internationalization and visibility increase the challenges of origin liabilities and EMNCs respond by enhancing their CSP. Our research adds to the existing knowledge base on institutional voids within the realm of international business.
JNK1 activated pRb/E2F1 and inhibited p53/p21 signaling pathway is involved in hydroquinone‐induced pathway malignant transformation of TK6 cells by accelerating the cell cycle progression
Authors: Yu Lingxue , Qiu Weifeng , Gao Yuting , Sun Mingwei , Chen Lin , Cui Zheming , Zhu Delong , Guo Pu , Tang Huanwen , Luo Hao 
Published: June 2023

AbstractHydroquinone (HQ) is an important metabolites of benzene in the body, and it has been found to result in cellular DNA damage, mutation, cell cycle imbalance, and malignant transformation. The JNK1 signaling pathway plays an important role in DNA damage repair. In this study, we focused on whether the JNK1 signaling pathway is involved in the HQ‐induced cell cycle abnormalities and the underlying mechanism. The results showed that HQ induced abnormal progression of the cell cycle and initiated the JNK1 signaling pathway. We further confirmed that JNK1 suppression decelerated the cell cycle progression through inhibiting pRb/E2F1 signaling pathway and triggering p53/p21 pathway. Therefore, we concluded that JNK1 might be involved in HQ‐induced malignant transformation associated with activating pRb/E2F1 and inhibiting p53/p21 signaling pathway which resulting in accelerating the cell cycle progression.
Biochemical responses, growth and reproduction of earthworm in low density polyethylene (LDPE)
Authors: Angmo Deachen , Dutta Rahil , Singh Jaswinder , Chowdhary Anu Bala , Quadar Jahangeer , Thakur Babita , Kaur Hardeep , Sharma Manik , Singh Sharanpreet , Vig Adarsh Pal 
Published: June 2023

AbstractThere is an unprecedented production of plastic that is accelerating its disposal while affecting the fitness of the terrestrial as well as the aquatic environment. The term microplastics refers to plastic fragments that are less than 5 mm in size and are widely distributed in the environment. Therefore, the present study intends to explore the biological response of earthworms (Eisenia fetida) toward different concentrations of low‐density polyethylene. E. fetida treated with low‐density polyethylene concentration (Control), 250 mg kg−1, 1000 mg kg−1, 6000 mg kg−1, 12,000 mg kg−1, and 25,000 mg kg−1. The above ratios were thoroughly mixed with 1kg of artificial soil and tested for growth, reproduction (cocoons and hatchling count), and enzymatic activities namely superoxide dismutase, guaiacol peroxidase, glutathione‐S‐transferase, and glutathione reductase and molecular docking studies. No mortality was observed during the exposure period at any concentrations. On the 28th day, when compared to the control the highest decrease in body weight of earthworms was observed in 25,000 mg (28.4%) followed by 12,000 mg (12.2%) and 6000 mg (3.4%). The cocoon and hatchlings significantly declined as the dose of microplastics increases. Enzymatic activity such as SOD and POD showed declined trend as the dose increased, while GST and GR increased with an increase in microplastic concentrations on 28th day. Furthermore, molecular docking showed that LDPE can modulate the activity of all four enzymes significantly.
‘Bowls are boring’: Investigating enrichment feeding for pet dogs and the perceived benefits and challenges
Authors: Heys Madeline , Lloyd Imogen , Westgarth Carri 
Published: June 2023

AbstractBackgroundCanine enrichment feeding (CEF) is recommended by canine professionals, yet research into its use by dog owners is absent. This study is the first to investigate who uses CEF and the perceived benefits and barriers.MethodsA cross‐sectional survey advertised in July and August 2021 received 1750 usable responses about owner and dog demographics, feeding methods used, canine quality of life and behaviour (Mini‐Canine Behavioural Assessment and Research Questionnaire [C‐BARQ]).ResultsKongs, chews and activity toys were the most popular forms of CEF. CEF was most often used for a treat, delivering meals and keeping dogs busy. Owners not using CEF were more likely to be male and older. Dogs not fed using CEF were more likely to be older, of working type and have lower exercise needs. Furthermore, they were less likely to show meal interest, dog‐directed fear or training difficulties. A common perceived benefit was mental stimulation; however, lack of time was commonly perceived to be a barrier. Certain feeding methods were associated with perceptions of reduced hunger and begging.LimitationsThe survey methodology means there is a risk of selection bias and conclusions cannot be drawn about causation.ConclusionCEF was perceived by most owners to benefit behavioural problems and reduce food seeking. Further research using experimental research designs is required to establish causality.
Continuous Gravity Observations at Mt. Somma-Vesuvius with a gPhoneX Gravimeter: In-Depth Instrumental Response Characterization and Tidal Model
Authors: Riccardi U. , Carlino S. , Pivetta T. , Hinderer J. , Rosat S. , Ricciardi G. 
Published: June 2023

AbstractWe report on the results of about 9 months of gravimetric recordings acquired at Mt. Somma-Vesuvius (SV) volcano (Southern Italy) with the new generation relative gravimeter gPhoneX#116 (gPh#116), which is a gravimeter specifically designed for continuous gravity recording. We also present the outcomes of an intercomparison experiment of the gPhone#116 conducted at the J9 gravity observatory in Strasbourg (France). In this intercomparison, we were able to check the scale factor of the meter with a high degree of precision by means of an intercomparison with 2 superconducting gravimeters (SGs) and a FG5-type absolute ballistic gravimeter. Multiple calibration approaches allowed us to validate the manufacturer's original calibration constants to a level of 1% accuracy and 0.1% precision. Moreover, we carried out a comparative study of the noise level of the gPh#116 with respect to the SGs and other spring meters routinely used in both prospecting and time-lapse gravimetry. It turns out that gPh#116 exhibits lower levels at hourly time-scales than other compared spring gravimeters (Graviton, gPhone#054, Scintrex-CG5). It was also possible to carry out a detailed study of the instrumental drift, a crucial topic for reliable monitoring of the long-term gravity variations in active volcanic areas. In fact, a challenge in time-lapse gravimetry is the proper separation of the instrumental variations from real gravity changes eventually attributable to recharge or drainage processes of magma or fluids in the feeding systems of active volcanoes. A negative finding coming out from the intercomparison is that, even when applying the tilt correction, the gravimetric residuals obtained with the gPh#116 are an order of magnitude larger and quite inconsistent with those obtained with co-located superconducting gravimeters. We guess this problem could be overcome by installing the gravimeter on an auto-levelling platform. From the analysis of the gravity records, a reliable tidal gravity model was derived, which we believe will help to improve the accuracy of volcano monitoring, as it will allow appropriate correction of tidal effects for both relative and absolute gravity measurements acquired in the area. Two further interesting elements arose from our study: (1) a peculiar cavity effect of the SV underground laboratory that seems to influence the tilt change; (2) the small residual gravity signals are time correlated with the rainfall peaks and are compatible with gravity decreases induced by increases in soil moisture above the gravimeter.
Analysis of the Epicenter Location Accuracy for the Local Seismic Network Operated in the Mining Area Towards the Automation of Location Procedures
Authors: Kokowski Jakub , Rudziński Łukasz 
Published: June 2023

AbstractLegnica-Głogów Copper District (LGCD) is one of the most active seismic regions in Europe. Several thousand seismic events induced by underground copper mines are recorded there each year, with the strongest reaching magnitudes above 4. Seismicity in LGCD is monitored by the LUMINEOS surface seismic network and the mine's underground networks. While the horizontal location uncertainty of the LUMINEOS network is about 300–600 m, the declared epicenter uncertainty of dense mine networks is less than 50 m. It gives us a unique opportunity to test the location accuracy of seismic events recorded by the LUMINEOS network determined with various algorithms and automatic procedure. In our work, we compared the location accuracies of traveltime-based algorithms LocSAT and NonLinLoc as well as waveform-based algorithm BackTrackBB. The iterative, Geiger-type LocSAT algorithm is used in routine daily processing for the LUMINEOS. Its downside is the need to use the S wave onset times, which in the case of the LUMINEOS network are very uncertain. As an alternative, we tested the probabilistic NonLinLoc algorithm, and the waveform based BackTrackBB algorithm. The BackTrackBB algorithm is known to work well with local, high noise seismic networks. We aimed to find out if it could be used routinely with the LUMINEOS data. In addition, we conducted a comparative analysis of the location uncertainty of these algorithms to determine the effectiveness of this parameter in assessing accuracy.
Comparing outcomes of total hip arthroplasty versus hemiarthroplasty in neck of femur fracture patients: an Australian registry study
Authors: Onggo James , Nambiar Mithun , McDougall Catherine , Hau Raphael , Babazadeh Sina 
Published: June 2023

Abstract
Purpose
To determine discharge outcomes of displaced subcapital NOF patients who were from home, with intact pre-operative cognition, ASA 1 or 2 and independent walkers treated with either THA or hemiarthroplasty.

Methods
A retrospective registry study was performed using data from the Australia and New Zealand Hip Fracture Registry (ANZHFR). Institutional ethics approval was obtained prior to commencement. Hip fracture registry records between 1st January 2016 and 31st January 2020 were reviewed.

Results
A total of 930 patients with complete records were identified and included. There were 602 THA and 328 hemiarthroplasty patients. Using multivariate analysis, pre-operative factors associated with THA include younger age (OR = 0.90 for every year older, p < 0.001), females (p = 0.043), private admissions (OR = 1.62, p = 0.028) and receiving pre-operative geriatric assessment (OR = 1.89, p = 0.002). Delay to theatre due to not being fit for surgery was associated with not receiving THA (OR = 0.21, p < 0.001). THA resulted in a shorter total hospital length of stay (MD = 7.24, p < 0.001), higher likelihood of being discharged home (OR = 1.88, p < 0.001) and lower likelihood of being discharged to a residential aged care facility (OR = 0.32, p = 0.019).

Conclusion
Displaced subcapital NOF patients who were admitted from home, had intact pre-operative cognition, ASA 1 or 2, independent walkers and had THAs, had shorter total hospital length of stay, were more likely to be discharged home directly and less likely to end up in residential aged care facilities compared to those undergoing hemiarthroplasty.
Multi-step estimators and shrinkage effect in time series models
Authors: Svetunkov Ivan , Kourentzes Nikolaos , Killick Rebecca 
Published: June 2023

AbstractMany modern statistical models are used for both insight and prediction when applied to data. When models are used for prediction one should optimise parameters through a prediction error loss function. Estimation methods based on multiple steps ahead forecast errors have been shown to lead to more robust and less biased estimates of parameters. However, a plausible explanation of why this is the case is lacking. In this paper, we provide this explanation, showing that the main benefit of these estimators is in a shrinkage effect, happening in univariate models naturally. However, this can introduce a series of limitations, due to overly aggressive shrinkage. We discuss the predictive likelihoods related to the multistep estimators and demonstrate what their usage implies to time series models. To overcome the limitations of the existing multiple steps estimators, we propose the Geometric Trace Mean Squared Error, demonstrating its advantages. We conduct a simulation experiment showing how the estimators behave with different sample sizes and forecast horizons. Finally, we carry out an empirical evaluation on real data, demonstrating the performance and advantages of the estimators. Given that the underlying process to be modelled is often unknown, we conclude that the shrinkage achieved by the GTMSE is a competitive alternative to conventional ones.
Morphological characterization and in vitro digestibility of seven Lathyrus sativus (grass pea) accessions originating from Eurasia, Africa, and Canada
Authors: Lassoued Siwar , Giosafatto Concetta Valeria Lucia , Mariniello Loredana , Neila Trifi-Farah 
Published: June 2023

AbstractLathyrus sativus is considered as an important economical source of high-quality proteins and adaptability to global climate change. To detect accessions useful for future breeding strategies, the genetic variability among and within seven Lathyrus sativus accessions was assessed by morphological characters and the in vitro digestibility study. An important genetic diversity was found using various morphological traits. The significant heterogeneity revealed by variance analysis (ANOVA) and correlation test could be elucidated by the different geographical origins of the studied accessions and the natural selection of grass pea. The Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) exhibited the accumulation of several genotypes in the same cluster which confirm that these genotypes are not dispersed according to their origin. Whereas, the individuals of grass pea from Ethiopia were collected in distinct group indicating that these samples are close each other’s and are different from the other accessions. In the same aim, the in vitro digestion model showed that most of the proteins were digested after 60-min incubation except the β-lathyrin protein. The different digestion kinetics found could be used as a method to distinguish different crop accessions. In fact, the densitometry analysis of β-lathyrin protein band showed that grass pea from Ethiopia, Germany, Bangladesh, and Morocco were more digested than grass pea from Canada, Afghanistan, and Greece in gastric phase, and Grass pea from Afghanistan and Germany were more digested than the rest of the samples in duodenal phase.
Mutation ∆K281 in MAPT causes Pick’s disease
Authors: Schweighauser Manuel , Garringer Holly J. , Klingstedt Therése , Nilsson K. Peter R. , Masuda-Suzukake Masami , Murrell Jill R. , Risacher Shannon L. , Vidal Ruben , Scheres Sjors H. W. , Goedert Michel , Ghetti Bernardino , Newell Kathy L. 
Published: June 2023

AbstractTwo siblings with deletion mutation ∆K281 in MAPT developed frontotemporal dementia. At autopsy, numerous inclusions of hyperphosphorylated 3R Tau were present in neurons and glial cells of neocortex and some subcortical regions, including hippocampus, caudate/putamen and globus pallidus. The inclusions were argyrophilic with Bodian silver, but not with Gallyas–Braak silver. They were not labelled by an antibody specific for tau phosphorylated at S262 and/or S356. The inclusions were stained by luminescent conjugated oligothiophene HS-84, but not by bTVBT4. Electron cryo-microscopy revealed that the core of tau filaments was made of residues K254-F378 of 3R Tau and was indistinguishable from that of Pick’s disease. We conclude that MAPT mutation ∆K281 causes Pick’s disease.