bluuebunny/crossref_metadata_2025_split huggingface dataset:
Particle Size Effects of Carbon Supported Nickel Nanoparticles for High Pressure CO2 Methanation
Authors: Visser Nienke L. , Daoura Oscar , Plessow Philipp N. , Smulders Luc C. J. , de Rijk Jan Willem , Stewart Joseph A. , Vandegehuchte Bart D. , Studt Felix , van der Hoeven Jessi E. S. , de Jongh Petra E. 
Published: September 2022

AbstractSupported nickel nanoparticles are promising catalysts for the methanation of CO2. The role of nickel particle size on activity and selectivity in this reaction is a matter of debate. We present a study of metal particle size effects on catalytic stability, activity and selectivity, using nickel on graphitic carbon catalysts. Increasing the Ni particle size from 4 to 8 nm led to a higher catalytic activity, both per gram of nickel and normalized surface area. However, the apparent activation energy remained the same (∼105 kJ mol−1). Comparing experiments at atmospheric to 30 bar pressure demonstrates the importance of testing under industrially relevant pressures; the highest selectivity is obtained at high CO2 conversions and pressures. Finally, the selectivity was particle size‐dependent. The largest particles were not only most active but also most selective to methane. With this work we contribute to the ongoing debate about Ni particle size effects in CO2 methanation.
Photophysics of Anionic Bis(4H‐imidazolato)CuI Complexes
Authors: Seidler Bianca , Tran Jens H. , Hniopek Julian , Traber Philipp , Görls Helmar , Gräfe Stefanie , Schmitt Michael , Popp Jürgen , Schulz Martin , Dietzek‐Ivanšić Benjamin 
Published: September 2022

AbstractIn this paper, the photophysical behavior of four panchromatically absorbing, homoleptic bis(4H‐imidazolato)CuI complexes, with a systematic variation in the electron‐withdrawing properties of the imidazolate ligand, were studied by wavelength‐dependent time‐resolved femtosecond transient absorption spectroscopy. Excitation at 400, 480, and 630 nm populates metal‐to‐ligand charge transfer, intraligand charge transfer, and mixed‐character singlet states. The pump wavelength‐dependent transient absorption data were analyzed by a recently established 2D correlation approach. Data analysis revealed that all excitation conditions yield similar excited‐state dynamics. Key to the excited‐state relaxation is fast, sub‐picosecond pseudo‐Jahn‐Teller distortion, which is accompanied by the relocalization of electron density onto a single ligand from the initially delocalized state at Franck‐Condon geometry. Subsequent intersystem crossing to the triplet manifold is followed by a sub‐100 ps decay to the ground state. The fast, nonradiative decay is rationalized by the low triplet‐state energy as found by DFT calculations, which suggest perspective treatment at the strong coupling limit of the energy gap law.
Gold‐Catalyzed Divergent Ring‐Opening Rearrangement of Cyclopropenes Enabled by Dichotomous Gold−Carbenes
Authors: Li Tingrui , Julaiti Yilitabaier , Wu Xiaopeng , Han Jie , Xie Jin 
Published: September 2022

AbstractThe gold‐catalyzed ring‐opening rearrangement of cyclopropenes affords an efficient route to either polysubstituted naphthols or aryl‐substituted furans. Owing to the unique dichotomy of gold−carbenes, this protocol provides a switchable reaction selectivity between naphthols and furans enabled by the use of TFP−Au(MeCN)SbF6 (tri(2‐furyl) phosphine) or PNP(AuNTf2)2 (bis(diphenylphosphino)(isopropyl) amine) as catalysts respectively. It is proposed that the gold−carbene intermediate might be involved in the cyclopropene→naphthol rearrangement while the gold‐carbocation is more likely to be involved in the cyclopropene→furan rearrangement.
Follow‐up of intraocular retinoblastoma through the quantitative analysis of conserved nuclear DNA sequences in aqueous humor from patients
Authors: Cuadrado‐Vilanova Maria , Burgueño Victor , Balaguer‐Lluna Leire , Aschero Rosario , Castillo‐Ecija Helena , Liu Jing , Perez‐Jaume Sara , Pascual‐Pasto Guillem , Olaciregui Nagore G , Gomez‐Gonzalez Soledad , Correa Genoveva , Suñol Mariona , Schaiquevich Paula , Radvanyi François , Lavarino Cinzia , Mora Jaume , Catala‐Mora Jaume , Chantada Guillermo L , Carcaboso Angel M 
Published: September 2022

AbstractFundoscopy is the standard method for diagnosis and follow‐up of intraocular retinoblastoma, but it is sometimes insufficient to discern whether tumors are inactivated following treatments. In this work, we hypothesized that the amount of conserved nuclear DNA sequences in the cell‐free DNA (cfDNA) fraction of the aqueous humor (AH) might complement fundoscopy for retinoblastoma follow‐up. To address our hypothesis, we developed highly sensitive droplet digital polymerase chain reaction (ddPCR) methods to quantify highly conserved DNA sequences of nucleus‐encoded genes (GAPDH and B4GALNT1) and of a mitochondrial gene, MT‐ATP6. We obtained AH samples during intravitreal treatments. We analyzed 42 AH samples from 25 patients with intraocular retinoblastoma and 11 AH from controls (non‐cancer patients). According to clinical criteria, we grouped patients as having progression‐free or progressive retinoblastoma. cfDNA concentration in the AH was similar in both retinoblastoma groups. Copy counts for nucleus‐derived sequences of GAPDH and B4GALNT1 were significantly higher in the AH from patients with progressive disease, compared to the AH from progression‐free patients and control non‐cancer patients. The presence of mitochondrial DNA in the AH explained that both retinoblastoma groups had similar cfDNA concentration in AH. The optimal cut‐off point for discriminating between progressive and progression‐free retinoblastomas was 108 GAPDH copies per reaction. Among patients having serial AH samples analyzed during their intravitreal chemotherapy, GAPDH copies were high and decreased below the cut‐off point in those patients responding to chemotherapy. In contrast, one non‐responder patient remained with values above the cut‐off during follow‐up, until enucleation. We conclude that the measurement of conserved nuclear gene sequences in AH allows follow‐up of intraocular retinoblastoma during intravitreal treatment. The method is applicable to all patients and could be relevant for those in which fundoscopy evaluation is inconclusive.
Giant primary low‐grade fibromyxoid sarcoma arising from the left pulmonary parenchyma: A case report and literature review
Authors: Ershadi Reza , Vahedi Matin , Jahanbin Behnaz , Tabatabaei Fatemeh‐sadat , Rafieian Shahab 
Published: September 2022

AbstractBackgroundLow‐grade fibromyxoid sarcoma is a rare painless neoplasm that primarily grows in young adults' proximal extremities and trunks. The lungs are infrequent sites for this type of sarcoma.Case PresentationWe reported a 26‐year‐old female that presented with a chief complaint of chest pain from a few months ago to Kasra hospital, Tehran, Iran, in August 2021. Chest computed tomography (CT) showed a hypodense mass with a well‐defined margin measuring 9.3 cm in the left upper lobe and multiple hypodense lesions with a lobulated appearance with a total diameter of 15.5 × 13.5 cm in the left lower lobe of the lung.ConclusionThis is the largest case of primary pulmonary low‐grade fibromyxoid sarcoma (30 × 28 × 7 cm), which seemed unresectable at first evaluation. Due to the extent of the tumor, left pneumonectomy was performed, leading to attenuation of symptoms and no recurrence at a six‐month follow‐up.
Computational Mechanism Investigation of C=C Bond Hydrogenation Catalyzed by Rhodium Hydride
Authors: Jia Feiyun , Zhang Bo 
Published: September 2022

AbstractThe hydrogenation of unsaturated carbons is a commonly used synthetic tool in pharmaceutical and industrial production. Recently, the Norton group realized highly selective hydrogenation of C=C bonds catalyzed by a rhodium hydride. Despite the great efforts made by experimentalists, details regarding the mechanism remained unclear. In this work, detailed DFT calculations were carried out to elucidate the principal features of this transformation. For enones we find that two possible competing mechanisms proposed by the experimental groups are computationally excluded, our proposed alternative mechanism with a total barrier of 20.0 kcal mol−1 is theoretically feasible, solvent methanol to also plays a crucial role in assisting β‐hydrogenation in addition to being the hydrogen source for α‐hydrogenation, and the cross‐polarization of the substrate enone‐conjugated system to result in an enhanced charge density of the α‐carbon, which favors being hydrogenated first. For isolated alkenes, neither of the two possible competing mechanisms can be excluded computationally and which carbon atom is first hydrogenated depends on the electronic properties of the substrate itself. The combination of rhodium and C=C bonds changes the electronic properties of H on the rhodium hydride and enhances its hydrogenation activity.
Interactive effects of UV radiation and water deficit on production characteristics in upland grassland and their estimation by proximity sensing
Authors: Holub Petr , Klem Karel , Veselá Barbora , Surá Kateřina , Urban Otmar 
Published: September 2022

AbstractAn increase in extreme weather and changes in other conditions associated with ongoing climate change are exposing ecosystems to a very wide range of environmental drivers that interact in ways which are not sufficiently understood. Such uncertainties in how ecosystems respond to multifactorial change make it difficult to predict the impacts of environmental change on ecosystems and their functions. Since water deficit (WD) and ultraviolet radiation (UV) trigger similar protective mechanisms in plants, we tested the hypothesis that UV modulates grassland acclimation to WD, mainly through changes in the root/shoot (R/S) ratio, and thus enhances the ability of grassland to acquire water from the soil and hence maintain its productivity. We also tested the potential of spectral reflectance and thermal imaging for monitoring the impacts of WD and UV on grassland production parameters. The experimental plots were manipulated by lamellar shelters allowing precipitation to pass through or to be excluded. The lamellas were either transmitting or blocking the UV. The results show that WD resulted in a significant decrease in aboveground biomass (AB). In contrast, belowground biomass (BB), R/S ratio, and total biomass (TB) increased significantly in response to WD, especially in UV exclusion treatment. UV exposure had a significant effect on AB and BB, but only in the last year of the experiment. The differences in the effect of WD between years show that the effect of precipitation removal is largely influenced by the potential evapotranspiration (PET) in a given year and hence mainly by air temperatures, while the resulting effect on production parameters is best correlated with the water balance given by the difference between precipitation and PET. Canopy temperature and selected spectral reflectance indices showed a significant response to WD and also significant relationships with morphological (AB, R/S) and biochemical (C/N ratio) parameters. In particular, the vegetation indices NDVI and RDVI provided the best correlations of biomass changes caused by WD and thus the highest potential to remotely sense drought effects on terrestrial vegetation.
Calcium homeostasis disruption initiates rapid growth after micro‐fragmentation in the scleractinian coral Porites lobata
Authors: Lock Colin , Bentlage Bastian , Raymundo Laurie J. 
Published: September 2022

AbstractCoral reefs are ecosystems under increasing threat from global climate change. Coral restoration is a tool for preserving the biological and ecological function of coral reefs by mitigating coral loss and maintaining the structural integrity and complexity of reefs. To generate the necessary stock for coral restoration, larger coral colonies are usually fragmented to generate smaller specimens for outplanting, taking advantage of the high regenerative ability of corals. In this study, we utilized RNA‐seq technology to understand the physiological responses of Porites lobata colonies to physical fragmentation and outplanting, which have thus far not been characterized. Our results demonstrate that P. lobata fragments undergoing physical injury recover through two distinct phases: rapid wound regeneration of the cut margins, followed by a slower growth phase that cements the colony to the substrate. Our study found rapid physiological responses to acute physical injury and outplanting in the coral host that involved significantly increased energy production, calcium homeostasis disruption, and endoplasmic reticulum (ER) stress leading to increased antioxidant expression and rates of protein turnover. Our results suggest that phosphoinositide‐mediated acute calcium homeostasis disruption stimulates wound recovery processes in response to physical injury. Symbiont gene expression revealed extremely low gene differences in response to fragmentation, growth, and outplanting. These results provide insight into the physiological mechanisms that allow for rapid wound healing and stabilization in response to physical injury in corals.
Nanohybrid Comprising Gold Nanoparticles – MoS2 Nanosheets for Electrochemical Sensing of Folic Acid in Serum Samples
Authors: Yadav Deepshikha , Verma Shilpi , Choudhary Jyoti , Kaur Harleen , Tiwari Pratibha , Singh Sandeep , Kushwaha Pallavi , Dubey Premshankar K. , Chandra Pranjal , Singh Surinder P. 
Published: September 2022

AbstractFolic acid (FA) deficiency is associated with several clinical conditions such as megaloblastic anemia, neuropsychiatric, and pregnancy‐related syndromes, this makes FA an important metabolite to be monitored. We have fabricated an electrochemical biosensor based on gold nanoparticles decorated molybdenum disulfide nanosheets (AuNPs−MoS2NSs) nanocomposite as a transducer matrix for specific and rapid electrochemical detection of FA. Differential pulse voltammetry (DPV) studies displayed a rapid analytical response of the fabricated AuNPs−MoS2NSs/GCE sensor probe towards FA in a wide concentration range of 0.001–100 μM with a very low detection limit of 0.72±0.03 nM. The selectivity of the fabricated sensor probe has been examined in the presence of interferents such as dopamine, uric acid, ascorbic acid, glucose, and urea. The clinical potential of the fabricated biosensor was established by monitoring FA in human serum samples. The developed AuNPs−MoS2NSs/GCE sensor probe showed high reproducibility and stability, indicating its promise for FA detection in clinical settings.
Dog ownership and mental health among community‐dwelling older adults: A systematic review
Authors: Maurice Clémence , Engels Cynthia , Canouï‐Poitrine Florence , Lemogne Cédric , Fromantin Isabelle , Poitrine Eric 
Published: September 2022

AbstractBackgroundThe population is ageing, and psychiatric disorders are common in older people. Those are associated with worsened quality of life. Although the positive relationship between dog ownership and physical health has been documented, data on mental health are scarcer, especially in community‐dwelling older adults.ObjectiveWe sought to establish whether owning a dog was associated with a lower number of symptoms of psychological disorders in community‐dwelling older adults.MethodsWe conducted a systematic review of the literature published between January 2005 and December 2020. We analysed comparative studies of the level of insomnia and symptoms of depression and/or anxiety among community‐dwelling dog owners aged 70 and over.ResultsThe search identified 191 articles, of which 117 full texts were assessed for eligibility. Five cross‐sectional studies and one before‐after with control group study (assessing a total of 25,138 older adults) were included. The mean (range) NOS score (five studies) was 6.8/9 (5–9) and the EPOC score (one study) was 2/8. The association between the presence of a dog and depressive symptoms did not appear to be significant. Regular contact with a dog was associated with fewer symptoms of anxiety. None of the studies specifically examined sleep disorders.ConclusionsAlthough the presence of a dog did not appear to be related to the level of depressive symptoms among community‐dwelling older adults, there might be a beneficial relationship with anxiety. Further investigation is needed ‐ especially with regard to the type of dog and the type of relationship with the dog.
Social networks and citizenship behavior: The mediating effect of organizational identification
Authors: Zagenczyk Thomas J. , Powell E. Erin 
Published: September 2022

AbstractAre employees more likely to identify with their organization and engage in helping behaviors on its behalf if the coworkers who make up their social networks identify and help the organization? We draw on social information processing theory, social learning theory, and research on diffusion of innovation to develop a model that predicts how relational (advice ties) and structural (structural equivalence) factors predict organizational identification and organizational citizenship. We argue that OI is neither a matter of individual perceptions generated in isolation, nor a simple function of the number of ties that an employee has, but that it is instead an outcome of relations and interactions with coworkers, as reflected in the social structure of the employing organization. We tested our model by conducting a social network study of employees in a construction company. Our findings show that (1) employees tend to have similar levels of OI to the OI of their advice ties; (2) employees who are structurally equivalent tend to demonstrate similar levels of OCB; (3) similarity in OI mediates the relationship between advice ties and similarity in OCB; and (4) advice ties with high and moderate levels of OI are most strongly associated with similarity in OCB. In a supplementary analysis we show that the social influence model that we tested offers a better explanation for the role that the social context plays in shaping OI than does a “more ties, more OI” model. We discuss implications for theory and practice.
Identification and validation of autophagy‐related genes in exogenous sepsis‐induced acute respiratory distress syndrome
Authors: Xie Yongpeng , Hu Wenxia , Chen Xiaobin , Ren Panpan , Ye Chongchong , Wang Yanli , Luo Jiye , Li Xiaomin 
Published: September 2022

AbstractObjectiveTo analyze the differential expression of autophagy‐related genes of sepsis‐induced acute respiratory distress syndrome (ARDS) as potential markers for early diagnosis.MethodsMale Sprague–Dawley rats (aged 8 weeks) were selected and randomly divided into sepsis‐induced ARDS group (n = 6) and a normal control group (n = 6). Lung tissue samples were collected for high‐throughput sequencing using Illumina HiSeq sequencing platform in the paired‐end sequencing mode. Differentially expressed genes (DEGs) were screened by DESeq. 2 software [|log2FC | ≥1 and p < .05] and autophagy‐related genes were identified using Mouse Genome Informatics. Co‐expressed autophagy‐related DEGs from these two datasets were filtered by construction of a Venn diagram. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed on these autophagy‐related DEGs and a protein interaction network was constructed using STRING and Cytoscape software to identify hub genes, which were verified by real‐time quantitative polymerase chain reaction (qRT‐PCR).ResultsA total of 42 autophagy‐related DEGs (26 upregulated genes and 16 downregulated genes) were identified. The GO and KEGG pathway analyses showed enrichment in 969 biological processes (BPs), three cellular components (CCs), eight molecular functions (MFs) and 27 signaling pathways. The protein interaction (PPI) network revealed 42 node proteins and 75 interacting edges, with an average node degree of 3.52, and an average local clustering coefficient of 0.509. Among the top 10 hub genes with the RNA‐Seq, six hub genes (Stat3, Il10, Ifng, Hmox1, Hif1a, and Nod2) were validated by qRT‐PCR (all p < .05).Conclusion42 potential autophagy‐related genes associated with sepsis‐induced ARDS lung injury were identified and six hub genes (Stat3, Il10, Ifng, Hmox1, Hif1a, and Nod2) may affect the development of ARDS by regulating autophagy. These results expanded our understanding of ARDS and might be useful in treatment of exogenous sepsis‐induced ARDS.
Germanium‐based monoelemental and binary two‐dimensional materials: Theoretical and experimental investigations and promising applications
Authors: Zhao Fulai , Feng Yiyu , Feng Wei 
Published: September 2022

AbstractTwo‐dimensional (2D) materials based on group IVA elements have attracted extensive attention owing to their rich chemical structures and novel properties. This comprehensive review focuses on the phases of Ge monoelemental and binary 2D materials including germanene and its derivatives, Ge‐IVA binary compounds, Ge‐VA binary compounds, and Ge‐VIA binary compounds. The latest progress in predictive modeling, fabrication, and fundamental and physical property modulation of their stable 2D configurations are presented. Accordingly, various interesting applications of these Ge‐based 2D materials are discussed, particularly field effect transistors, photodetectors, optical devices, catalysts, energy storage devices, solar cells, thermoelectric devices, sensors, biomedical materials, and spintronic devices. Finally, this review concludes with a few perspectives and an outlook for quickly expanding the application scope Ge‐based 2D materials based on recent developments.image
In silico investigation of nonsynonymous single nucleotide polymorphisms inBCL2apoptosis regulator gene to design novel protein‐based drugs against cancer
Authors: Fareed Muhammad Mazhar , Dutta Kunal , Dandekar Thomas , Tarabonda Herman , Skorb Ekaterina V. , Shityakov Sergey 
Published: September 2022

AbstractBCL2apoptosis regulator gene encodes Bcl‐2 pro‐survival protein, which plays an important role to evade apoptosis in various cancers. Moreover, single nucleotide polymorphisms (SNPs) in theBCL2gene can be nonsynonymous (nsSNPs), which might affect the protein stability and probably its function. Therefore, we implement cutting‐edge computational techniques based on the Spherical Polar Fourier and Monte‐Carlo algorithms to investigate the impact of these SNPs on the B cell lymphoma‐2 (Bcl‐2) stability and therapeutic potential of protein‐based molecules to inhibit this protein. As a result, we identified two nsSNPs (Q118R and R129C) to be deleterious and highly conserved, having a negative effect on protein stability. Additionally, molecular docking and molecular dynamics simulations confirmed the decreased binding affinity of mutated Bcl‐2 variants to bind three‐helix bundle protein inhibitor as these mutations occurred in the protein−protein binding site. Overall, this computational approach investigating nsSNPs provides a useful basis for designing novel molecules to inhibit Bcl‐2 pro‐survival pathway in malignant cells.