bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Novel Synthesis of ZnNb2O6 Nanoparticles via Combustion Method: Supercapacitor and Photocatalytic Properties
Authors: Basavaraju N. , Raghavendra N. , Hamdalla Taymour A. , Ravikumar C.R. , Nagaswarupa H.P. , Shekhar T.R. Shashi , Surendra B.S. , Murthy H.C. Ananda 
Published: June 2024

AbstractIn light of the current study's demonstration of the synthesis of Zn doped niobium metal oxide a low‐cost approach is provided for the synthesis of ZnNb2O6 nanoparticles. Using the urea and oxalyl dihydrazide (ODH) as fuel and complexing agent, ZnNb2O6 NPs are synthesized via the solution combustion process. The X‐ray diffraction (XRD) patterns reveal that ZnNb2O6 has a columbite‐orthorhombic structure. The field emisssion‐scanning electron microscopy (FE‐SEM) micrographs revealed the presence of uniform and spherically shaped morphology for ZnNb2O6. The role of ZnNb2O6 in the photocatalytic degradation of fuchsin acid dye is investigated under UV‐rays. The remarkable photocatalytic degradation activity of the material is demonstrated with 90% degradation rate. The fabricated electrode is used for the electrochemical analysis of the resultant material. The capacitance of 223 and 198 Fg−1 at a scan rate of 5 Ag−1, respectively, are measured in a 3‐electrode using the chemically generated ZnNb2O6, as per the Galvanostatic charge discharge (GCD) experiment. Furthermore, it exhibited excellent cycling stability, maintaining over 85% of its initial capacitance even after 2000 cycles. The goal of this research is to develop a solution combustion method for synthesizing ZnNb2O6 NPs from urea and ODH so that it may be more effectively tested for electrochemical, sensing, and photocatalytic uses.
Exploring the atmospheric conditions increasing fire danger in the Iberian Peninsula
Authors: Purificação Carolina , Campos Cátia , Henkes Alice , Couto Flavio Tiago 
Published: June 2024

AbstractThe fire danger is particularly sensitive to meteorological conditions. The present study discusses the atmospheric conditions during three periods to evaluate how they can increase fire danger. A set of three convection‐permitting simulations was configured at 2.5 km resolution using the Meso‐NH model. In the first period, the intense surface heating induced by a heatwave favoured the development of the Iberian thermal low in July 2019, leading to the formation of precipitating systems and resulting in convective outflows that affected the central Iberian Peninsula. The outflows were shown to be an important feature in evaluating fire danger during the period; however, the simulation also highlighted the orographic effect as another phenomenon playing an important role in fire development and consequently enhancing the fire danger in some regions such as in the extreme southwest of Portugal. The orographic effect in this specific region was identified and analyzed in detail for two megafire events that occurred in Monchique in August 2003 and 2018. The Monchique Mountain's shape and orientation interacting with the airflow induced upslope and downslope winds that favoured the rapid propagation of the fire fronts in August 2018. The third experiment showed that the circulation of a sea breeze from the southern coast of Portugal may act as an enhancer for fire danger in the region when interacting with the regional mountain, such as verified in the 2003 megafire. The study shows that the fire danger over specific regions can be increased by different atmospheric phenomena and explored from atmospheric modelling. The convective outflows were an important factor enhancing fire danger; however, the orographic effect was confirmed as the main factor producing two megafires events in the extreme southwest of Portugal.
Theoretical studies on the kinetics and mechanism of hydroxyl radical reaction with quinclorac and quinmerac herbicides in aqueous media
Authors: Upadhyaya Hari P. 
Published: June 2024

AbstractThe kinetic and mechanistic studies for the reaction of hydroxyl radical with two quinoline based herbicides, namely, quinclorac and quinmerac has been performed using various computational methods in aqueous media. Geometry optimizations were performed using Density Functional Theory (DFT) methods including water as the solvent. Local reactivity parameters of these herbicides towards the •OH radical are predicted using condensed Fukui function. Single point energies of various species were calculated using double hybrid method, namely, B2PLYP–D for better accuracy. The pKa values for these acid based herbicides allow them to exist in deprotonated form in aqueous condition. Hence, the calculations are also performed for the deprotonated or the anionic form apart from the neutral species. Individual rate coefficients for •OH radical addition reaction with each carbon atoms were evaluated using conventional transition state theory using one–dimensional tunneling corrections. The solvent effect on reaction is implemented through Collins–Kimball formulations. Both the approaches, namely, the Fukui index and individual rate constant determination confirms that the most reactive site for the •OH radical addition in these two herbicide is the carbon atom attached to the COOH group. The total rate constant for the •OH radical reaction with both neutral and anionic forms of these two herbicides are relatively high and equal to its diffusion‐limit value. Evaluation of the ecotoxicities of the parent herbicides and their OH adducts is estimated using the structure–activity relationship concept.
Spin‐orbit effects on the ring current strengths of the substituted cyclophosphazene: c$$ c $$‐P3$$ {}_3 $$N3$$ {}_3 $$X6$$ {}_6 $$(X=H, F, Cl, Br, I, At, Ts)$$ \left(\mathbf{X}=\mathbf{H},\mathbf{F},\mathbf{Cl},\mathbf{Br},\mathbf{I},\mathbf{At},\mathbf{Ts}\right) $$
Authors: Ramirez‐Tagle Rodrigo , Alvarez‐Thon Luis 
Published: June 2024

AbstractThis work reports the magnetic index of aromaticity of cyclophosphazene (‐PNH) and their halogenated cyclic derivatives: ‐PNF, ‐PNCl, ‐PNBr, ‐PNI, ‐PNAt and ‐PNTs. This index, also known as ring‐current strength, is calculated by numerical integration of the magnetically‐induced current density vector field which is generated by a perturbing external magnetic field. Due to the presence of heavy atoms in ‐PNX, important relativistic were expected. Accordingly, all‐electron density functional theory (DFT) calculations were carried out using the four‐component Dirac‐Coulomb (DC) Hamiltonian, including scalar and spin‐orbit relativistic effects. The values were also compared with the corresponding spin‐free (scalar relativistic) ones.
Verifying Hierarchic Multipartite and Network Nonlocalities with a Unified Method
Authors: Luo Ming‐Xing , Fei Shao‐Ming 
Published: June 2024

AbstractThe multipartite nonlocality provides deep insights into the fundamental feature of quantum mechanics and guarantees different degrees of cryptography security for potential applications in the quantum internet. Verifying multipartite nonlocal correlations is a difficult task. A unified approach is proposed that encompasses all the quantum characteristics of the multipartite correlated system beyond from fully separable to biseparable no‐signaling correlations. A straightforward method is offered to verify general systems by lifting partial nonlocal correlations. This allows to construct a chained Bell inequality, facilitating the unified verification of hierarchic multipartite nonlocalities. The lifting method is finally applied to verify the correlations derived from quantum networks.
Lung abscess caused by the anaerobic pathogen Tannerella forsythia
Authors: Miao XiaYi , Yang Wei , Wang Shiqiang , Tang Jihong , Luo XuMing , Chen Teng 
Published: June 2024

AbstractOdontogenic infections can spread to the respiratory tract. Despite the known role of Tannerella forsythia as the primary pathogen in periodontitis, the association between T. forsythia infection and risk of pneumonia or lung abscess remains unknown. In this report, we present a case of lung abscess caused by T. forsythia infection. The pathogen was detected by metagenomic next‐generation sequencing (mNGS) in the bronchoalveolar lavage fluid of the patient. The clinical characteristics and possible mechanisms of the infection are discussed. T. forsythia is a conditional pathogen that can cause lung abscess in the presence of helper bacteria and reduced host immune status. The course of treatment should be personalized and might be longer than 3 months.
Zonotopic state estimation and sensor fault detection for a wastewater treatment bioprocess
Authors: Zhou Meng , Wu Yan , Wang Jing , Xue Tonglai , Raïssi Tarek 
Published: June 2024

AbstractIn this paper, a fault diagnosis method for the basic process of microbial growth in wastewater treatment based on interval estimation technology is proposed. First, a nonlinear microbial growth model is converted into a linear time‐varying system. A time‐varying observer is then designed for the generated system, which takes into account an performance. Furthermore, a zonotope‐based set‐membership estimation algorithm is analyzed to synchronize interval estimation operations. In addition, interval residuals are computed from the generated interval state estimation and fault diagnosis is performed for a wastewater treatment bioprocess with sensor fault signals. Finally, the feasibility of the proposed fault diagnosis strategy for the wastewater treatment bioprocess is illustrated through numerical simulations.
Single‐Step Chemical Vapor Deposition of Methyl Ammonium Lead Halide Perovskite for p–i‐n Solar Cells
Authors: Muratov Dmitry S. , Luchnikov Lev O. , Saranin Danila S. , Ishteev Artur R. , Kurichenko Vladislav , Kolesnikov Evgeniy A. , Kuznetsov Denis V. , Di Carlo Aldo 
Published: June 2024

AbstractMetal halide perovskite solar cells being one of the fastest emerging technologies for renewable energy still has to become more industry friendly in a way that will allow using it for thin film modules or tandems with conventional silicon devices. The simplest way to achieve this is to use chemical vapor deposition (CVD) technique for tandem production. In this work, we show a method for a single step production of MAPbI3 films in a simple two‐zone CVD reactor from lead diacetate and methyl‐ammonium iodide powders. Obtained films show highly ordered cubic MAPbI3 phase with a thickness of 400–500 nm, good photoluminescence response and absorption band edge similar to spin‐coated film. We used those films to produce p‐i‐n solar cells with ITO/NiO/MAPbI3/C60/Cu structure. The best cell showed negligible 0.23 % PCE right after the manufacturing but significantly improved to 5.5 % PCE after 8 hours of storage in the dark. The main limiting factor affecting the efficiency is low current density, which we attribute to non‐optimized growth conditions; however, our approach is a first step to a single step CVD deposition of MAPbI3 on any type of substrates including texturized silicon subcells for better overall efficiency
Block Copolymer Self‐assembly: Exploitation of Hydrogen Bonding for Nanoparticle Morphology Control via Incorporation of Triazine Based Comonomers by RAFT Polymerization
Authors: Haque Farah , Thompson Steven W. , Ishizuka Fumi , Kuchel Rhiannon P. , Singh Dharmendra , Sanjayan Gangadhar J. , Zetterlund Per B. 
Published: June 2024

AbstractSynthesis of polymeric nanoparticles of controlled non‐spherical morphology is of profound interest for a wide variety of potential applications. Self‐assembly of amphiphilic diblock copolymers is an attractive bottom‐up approach to prepare such nanoparticles. In the present work, RAFT polymerization is employed to synthesize a variety of poly(N,N‐dimethylacrylamide)‐b‐poly[butyl acrylate‐stat‐GCB] copolymers, where GCB represents vinyl monomer containing triazine based Janus guanine‐cytosine nucleobase motifs featuring multiple hydrogen bonding arrays. Hydrogen bonding between the hydrophobic blocks exert significant influence on the morphology of the resulting nanoparticles self‐assembled in water. The Janus feature of the GCB moieties makes it possible to use a single polymer type in self‐assembly, unlike previous work exploiting, e.g., thymine‐containing polymer and adenine‐containing polymer. Moreover, the strength of the hydrogen bonding interactions enables use of a low molar fraction of GCB units, thereby rendering it possible to use the present approach for copolymers based on common vinyl monomers for the development of advanced nanomaterials.
The Road Less Travelled: What Can Be Learnt?
Authors: Ibričević Aida 
Published: June 2024

AbstractAccording to a recently published Gallup poll, Bosnia and Herzegovina scored −32% on the potential net migration index (PNMI). This score ranked BiH at the bottom of the list of European countries, with only Kosovo ranking lower. The situation is even more alarming when looking at the indices for brain drain and youth migration, for which BiH scored −40% and −57%, respectively. These results ranked BiH at the bottom on an international scale, with El Salvador, Haiti, Liberia, and Sierra Leone scoring lower. Amidst such abysmal emigration prospects, there appears a truly puzzling phenomenon: voluntary return migration. I embarked on a journey to unravel the mystery of why people are coming back to a place that so many seem eager to escape? I was initially inspired to answer this and related questions after watching the “I want to go home” (Kenović, 2016) documentary in May 2016. While wrapping up my data analysis 3 years later, I was captivated by another documentary film produced by the same news organization. As the show notes state, “Disappearing” (Nestajanje), tells the story of “young, highly educated people from Bosnia and Herzegovina who, despite their different backgrounds, find themselves on the same road. This road, unfortunately, takes them far from their home country, which didn’t give them a chance to realize their full potential.” Leaving BiH is the dominant trend, while deciding to come back, although highly interesting for theoretical purposes, deviates from that norm. In the years of working on this puzzle, I hope to have shed some light on its various facets and contributed to its better understanding. So, what can we learn from those who have taken the proverbial “road less traveled”? The focus of this chapter is to discuss the findings of my study and how they contribute to the current debates on relevant concepts.
Parameters, Modeling and Taxonomy for an HBIM Baroque Facade
Authors: Lo Turco Massimiliano , Bono Jacopo , Tomalini Andrea 
Published: June 2024

AbstractThis contribution explores the application of the BIM methodology in the context of built heritage (HBIM). Specifically, it investigates how this methodology has evolved in terms of modeling techniques, viewed through the lens of Drawing as a critical aspect of its implementation. By considering these perspectives together, the paper aims to identify the primary advantages and limitations of HBIM, highlighting the need for defined workflows to effectively manage and deconstruct the intricate architectural elements found in the Palazzo del Collegio dei Nobili, which represents Turin's brick buildings from the Savoy Baroque period.
Combination of STING agonist with anti-vascular RGD-(KLAKLAK)2 peptide as a novel anti-tumor therapy
Authors: Czapla Justyna , Drzyzga Alina , Ciepła Joanna , Matuszczak Sybilla , Jarosz-Biej Magdalena , Pilny Ewelina , Cichoń Tomasz , Smolarczyk Ryszard 
Published: June 2024

AbstractImmunotherapy is one of the most promising anti-cancer treatment. It involves activating the host's own immune system to eliminate cancer cells. Activation of cGAS-STING pathway is promising therapeutic approach for cancer immunotherapy. However, in human clinical trials, targeting cGAS-STING pathway results in insufficient or unsustainable anti-tumor response. To enhance its effectiveness, combination with other anti-cancer therapies seems essential to achieve synergistic systemic anti-tumor response.The aim of this study was to evaluate whether the combination of STING agonist-cGAMP with anti-vascular RGD-(KLAKLAK)2 peptide results in a better anti-tumor response in poorly immunogenic tumors with various STING protein and αvβ3 integrin status.Combination therapy inhibited growth of murine breast carcinoma more effectively than melanoma. In melanoma, the administration of STING agonist alone was sufficient to obtain a satisfactory therapeutic effect. In both tumor models we have noted stimulation of innate immune response following cGAMP administration alone or in combination. The largest population of immune cells infiltrating the TME after therapy were activated NK cells. Increased infiltration of cytotoxic CD8+ T lymphocytes within the TME was only observed in melanoma tumors. However, they also expressed the “exhaustion” PD-1 receptor. In contrast, in breast carcinoma tumors each therapy caused the drop in the number of infiltrating CD8+ T cells.The obtained results indicate an additional therapeutic benefit from combining STING agonist with an anti-vascular agent. However, this effect depends on the type of tumor, the status of its microenvironment and the expression of specific proteins such as STING and αvβ3 family integrin.
Interactions between parenting styles, child anxiety, and oppositionality in selective mutism
Authors: Slobodin Ortal , Shorer Maayan , Friedman Zeltzer Gilor , Fennig Silvana 
Published: June 2024

Abstract
Selective mutism (SM) is a poorly understood condition, and debate continues regarding its etiology and classification. Research suggests that a genetic vulnerability may play a role in the development of the disorder which may be compounded by anxious and over-protective parenting. While previous studies supported the role of parenting styles in the development of SM, most of them examined child and parent factors in isolation. The current study examined how the interactions between child internalizing and externalizing behaviors (anxiety and oppositionality, respectively) and parenting styles (authoritative, permissive, and authoritarian) are associated with SM diagnosis. The study included 285 children aged 3–7 years (57.2% females), and their parents (66 children with SM and 219 typically developed children). Parents completed questionnaires about child social anxiety, oppositional behavior, SM severity, and their parenting style. Results showed that parents of children with SM reported lower levels of authoritative practices than those of typically developed children. We also found that child social anxiety and oppositionality moderated the effects of authoritative and authoritarian parenting practices on SM diagnosis. Our results suggest that child anxiety and oppositionality may explain the different susceptibility of children to adaptive and maladaptive parenting styles.
Integrated Bioinformatic Analysis Reveals the Oncogenic, Survival, and Prognostic Characteristics of TPX2 in Hepatocellular Carcinoma
Authors: Zhang Weibin , Dong Jia , Wu Yunfei , Liang Xiangnan , Suo Lida , Wang Liming 
Published: June 2024

AbstractTargeting protein for Xenopus kinesin-like protein 2 (TPX2), a well-known mitotic protein, has been linked to carcinogenesis in several cancers. This study investigated the role of TPX2 in hepatocellular carcinoma (HCC) from various aspects using bioinformatic analyses. TPX2 expression and its prognostic value in pan-cancers were analyzed using SangerBox. TPX2 expression and its association with prognosis, immune infiltration, tumor mutations, and signaling pathways in HCC were analyzed using UALCAN, BoxKaplan-Meier Plotter, GEPIA, Human Protein Atlas, TIMER 2.0, and SangerBox. Genes co-expressed with TPX2 in HCC were analyzed using the HCCDB database, followed by functional enrichment using SangerBox. Clinical predictive models were established based on TPX2 and its co-expressed genes using the ACLBI database. TPX2 expression significantly increased in pan-cancers and was associated with survival in nearly half of the cancer types. High TPX2 expression has been linked to poor survival outcomes in patients with HCC. TPX2 expression was positively correlated with abundant infiltration of immune cells (including B cells, CD4 + /CD8 + T cells, macrophages, neutrophils, and dendritic cells), TP53 mutation, and carcinogenesis-related pathways, such as the PI3K/AKT/mTOR pathway, cellular response to hypoxia, and tumor proliferation signature. Nineteen genes were found to be co-expressed with TPX2 in HCC, and these genes showed close positive correlations and were mainly implicated in cell cycle-related functions. A prognostic model established using TPX2 and its expressed genes could stratify HCC patients into high- and low-risk groups, with a significantly shorter survival time in high-risk groups. The prognostic model performed well in predicting 1-, 3-, and 5-year survival of patients with HCC, with areas under the curve of 0.801, 0.725, and 0.711, respectively. TPX2 functions as an oncogene in HCC, and its high expression is detrimental to the survival of patients with HCC. Thus, TPX2 may be a prognostic biomarker and potential therapeutic target for HCC.
VeLePa: Central Pame verbal inflection in a quantitative perspective
Authors: Herce Borja 
Published: June 2024

AbstractThis paper reports on the compilation and quantitative analysis of VeLePa, an inflected lexicon containing paradigms of 216 Central Pame verbs and a total of 12528 elicited words, in phonological form, supplied with cell and lexeme frequency information. The language (Otomanguean) is of interest due to both its extraordinary morphological complexity, as well as due to the organization of the inflection into a four-fold concurrent classification system where prefixes, stems, tone-stress, and suffixes all display inflection classes and irregularities which are only partially predictable from each other. A quantitative analysis of morphological predictability as per the Paradigm Cell Filling Problem is conducted for every layer, and for the whole word, as well as of the uncertainties language users face to learn or predict the morphosyntactic values or lexical meaning of a verb form from its morphology.