bluuebunny/crossref_metadata_2025_split huggingface dataset:
SERS Detection of Hg2+ using Rhenium Carbonyl Labelled Nanoparticle Films
Authors: Lea Joshua N. , Montgomery Heather J. , Xu Yikai , Bell Steven E. J. , Ashton Lorna , Fletcher Nicholas C. 
Published: September 2023

AbstractModified silver nanoparticles with a self‐assembled disulfide functionalized 2,2'‐bipyridine (L1 and L2) monolayer, and the corresponding rhenium complex [Re(L2)(CO)3Br] are shown to provide a method to position the nanoparticles at a water/dichloromethane interface forming a lustrous metal‐like‐liquid film (MeLLF) with a unique SERS response. The film formed using L2 showed divergent behaviour in the presence of a range of metal ions whilst bound to the surface. [Re(L)(CO)3Br] (where L=2,2'‐bipyridine, L1 and L2) in solution demonstrates a selective interaction with Hg2+, observed by UV‐vis, emission and 1H NMR spectroscopy, attributed to abstraction of the bromide. This interaction was demonstrated by subtle changes in the characteristic Raman Re‐CO stretch at 510 cm−1 both with the MeLLF, and when the film is immobilized in a PVA surface‐exposed‐nano‐sheet (SENS). The work provides proof of concept that the organometallic complexes can be employed as “labels” to generate SERS‐active nanoparticle films that possess detection capabilities.
Partial Hydrolysis of Diphosphonate Ester During the Formation of Hybrid TiO2 Nanoparticles: Role of Acid Concentration
Authors: Mysore Ramesha Bharadwaj , Pawlak Bram , Arenas Esteban Daniel , Reekmans Gunter , Bals Sara , Marchal Wouter , Carleer Robert , Adriaensens Peter , Meynen Vera 
Published: September 2023

AbstractThe hydrolysis of the phosphonate ester linker during the synthesis of hybrid (organic‐inorganic) TiO2 nanoparticles is important when forming porous hybrid organic‐inorganic metal phosphonates. In the present work, a method was utilized to control the in‐situ partial hydrolysis of diphosphonate ester in the presence of a titania precursor as a function of acid content, and its impact on the hybrid nanoparticles was assessed. Organodiphosphonate esters, and more specific, their hydrolysis degree during the formation of hybrid organic‐inorganic metal oxide nanoparticles, are relatively under explored as linkers. Here, a detailed analysis on the hydrolysis of tetraethyl propylene diphosphonate ester (TEPD) as diphosphonate linker to produce hybrid TiO2 nanoparticles is discussed as a function of acid content. Quantitative solution NMR spectroscopy revealed that during the synthesis of TiO2 nanoparticles, an increase in acid concentration introduces a higher degree of partial hydrolysis of the TEPD linker into diverse acid/ester derivatives of TEPD. Increasing the HCl/Ti ratio from 1 to 3, resulted in an increase in degree of partial hydrolysis of the TEPD linker in solution from 4 % to 18.8 % under the applied conditions. As a result of the difference in partial hydrolysis, the linker‐TiO2 bonding was altered. Upon subsequent drying of the colloidal TiO2 solution, different textures, at nanoscale and macroscopic scale, were obtained dependent on the HCl/Ti ratio and thus the degree of hydrolysis of TEPD. Understanding such linker‐TiO2 nanoparticle surface dynamics is crucial for making hybrid organic‐inorganic materials (i. e. (porous) metal phosphonates) employed in applications such as electronic/photonic devices, separation technology and heterogeneous catalysis.
Trends in the Diversification of the Detergentome
Authors: Wycisk Virginia , Wagner Marc‐Christian , Urner Leonhard H. 
Published: September 2023

AbstractDetergents are amphiphilic molecules that serve as enabling steps for today's world applications. The increasing diversity of the detergentome is key to applications enabled by detergent science. Regardless of the application, the optimal design of detergents is determined empirically, which leads to failed preparations, and raising costs. To facilitate project planning, here we review synthesis strategies that drive the diversification of the detergentome. Synthesis strategies relevant for industrial and academic applications include linear, modular, combinatorial, bio‐based, and metric‐assisted detergent synthesis. Scopes and limitations of individual synthesis strategies in context with industrial product development and academic research are discussed. Furthermore, when designing detergents, the selection of molecular building blocks, i. e., head, linker, tail, is as important as the employed synthesis strategy. To facilitate the design of safe‐to‐use and tailor‐made detergents, we provide an overview of established head, linker, and tail groups and highlight selected scopes and limitations for applications. It becomes apparent that most recent contributions to the increasing chemical diversity of detergent building blocks originate from the development of detergents for membrane protein studies. The overview of synthesis strategies and molecular blocks will bring us closer to the ability to predictably design and synthesize optimal detergents for challenging future applications.
Electrochemical Properties of BaTaO2N Photocatalyst with Visible‐Light‐Driven Water Splitting Capability
Authors: Higashi Tomohiro , Nishimae Shinji , Inoue Yasunobu , Kageshima Yosuke , Domen Kazunari 
Published: September 2023

AbstractA BaTaO2N (BTON) particulate photocatalyst enables solar water splitting in response to visible light irradiation at wavelengths of up to 640 nm. The specific nitridation conditions produced distinct types of BTON particles with the capability of one‐step overall water splitting (Active‐BTON) and without the overall water splitting activity (Inactive‐BTON). Unveiling the intrinsic differences between the active‐ and inactive‐BTON particles is crucial for obtaining more in‐depth information about the water splitting activity. Herein, we investigated the electrochemical (EC) and photoelectrochemical (PEC) properties of these BTON photocatalysts using the particulate‐based photoelectrodes for water splitting. EC measurements, including Mott–Schottky analysis, revealed that the flat band potential of Active‐BTON is located at a potential that is more positive than that of Inactive‐BTON, whereas the carrier concentration of Active‐BTON is one‐tenth lower than that of Inactive‐BTON. Irrespective of the pH value of the 1.0 M potassium phosphate aqueous solution, the Active‐BTON‐based photoelectrodes showed a higher photocurrent than that of Inactive‐BTON under simulated AM 1.5G solar illumination. The PEC performance of the BTON was found to be limited by the electrocatalytic activity of the CoOx co‐catalyst, specifically the electrolyte pH.
Effect of Annealing Temperature and Time on Ni‐Catalyzed In Situ Growth of Graphene on Diamond Substrate
Authors: Wang Sanchuan , Bai Qingshun , Chen Shandeng 
Published: September 2023

AbstractGraphene has a series of excellent physical and chemical properties. In recent years, the in situ growth of graphene on diamond substrate has been the research focus. In this paper, graphene (or graphite nanoplate) is grown on a diamond substrate by vacuum high‐temperature rapid annealing method with the catalysis of Ni. Annealing temperature and time are varied and graphene with different layer numbers, lattice defect densities, and topographies are produced on a diamond. Different kinds of characterization such as Raman spectroscopy, optical density meter, scanning electron microscope (SEM), energy dispersive spectroscopy (EDS), and atomic force microscopy (AFM) are used to characterize and analyze these properties, further determine the critical temperature and critical time of diamond‐graphene transformation, and study the influence of temperature and time on the layer number and quality of graphene. After annealing at 850 °C for 30 min, the sample can grow ≈56 layers of high‐quality graphene, which has quite low roughness and few defects.
An optimal nonlinear companding transform with clipping scheme for universal filtered multicarrier systems
Authors: Chintala Vijaya Durga , Sundru Anuradha 
Published: September 2023

SummaryIn this article, an exponential companding (EC) scheme, which can reduce PAPR without raising the average output power level, is proposed for universal filtered multi carrier (UFMC) signals. However, EC scheme degrades the BER performance. Therefore, an optimal nonlinear companding transform named as “modified exponential companding” (MEC), which can use two companding levels based on a threshold value, is proposed. The proposed MEC scheme shows enhanced PAPR and BER performances than EC scheme. Moreover, the MEC provides more design flexibility and freedom with an unchanged average output power level. Furthermore, a hybrid scheme is also proposed to improve PAPR performance, where clipping operation is employed on MEC signal based on an appropriate clipping threshold. Simulation results illustrate that proposed MEC scheme offers improved system performance with a net gain of 7.22 dB than conventional EC and μ‐law techniques. Besides, the proposed hybrid scheme with clipping ratio 1.3 proffers enhanced PAPR reduction of 8.85 dB and improved net gain of 7.95 dB. Also, the proposed EC, MEC, and hybrid schemes can provide lesser spectrum side‐lobe levels than μ‐law. Finally, the UFMC system with the proposed hybrid scheme is verified by employing wireless open‐access research platform (WARP) as hardware over real‐time channel.
Geographic patterns in range sizes and their drivers of endemic angiosperms in China
Authors: Wang Yunyun , Lyu Tong , Luo Ao , Dimitrov Dimitar , Wang Zhiheng 
Published: September 2023

AbstractGeographic range size of endemic species is the most important indicator of species' vulnerability to extinction and conservation prioritization, yet variation in range size among species and across space has been relatively understudied. We investigated the variations and geographic patterns of the range size of 9898 angiosperm species endemic to China and compared the effects of historical and contemporary climate and species' functional traits associated with dispersal ability (including growth form, fruit type, and sexual system) on range size variations. Our results revealed that narrow‐ranged endemic species are clustered in Southwest China where angiosperm species' richness peaks. Winter temperature had the strongest and negative effect on the range size of narrow‐ranged endemic species across space and species, while climate seasonality had the strongest and positive effect on the range size of wide‐ranged endemic species. Both historical and contemporary climate have also influenced species range size indirectly via their effects on species' functional traits associated with dispersal ability. Range size of all endemic species, narrow‐ranged and wide‐ranged, showed little phylogenetic signal, suggesting that phylogenetic conservatism plays a minor role in range size variations. Our results show that the range size of angiosperm species endemic to China is driven by both extrinsic spatiotemporal environmental factors and intrinsic species' traits that allow species to cope with environmental change.
Baroreflex activation therapy in patients with heart failure with reduced ejection fraction: a single‐centre experience
Authors: Blanco Carola , Madej Tomas , Mangner Norman , Hommel Jennifer , Grimm Susanna , Knaut Michael , Linke Axel , Winzer Ephraim B. 
Published: September 2023

AbstractAimsHeart failure with reduced ejection fraction (HFrEF) is associated with excessive sympathetic and impaired parasympathetic activity. The Barostim Neo™ device is used for electronical baroreflex activation therapy (BAT) to counteract autonomic nervous system dysbalance. Randomized trials have shown that BAT improves walking distance and reduces N‐terminal prohormone of brain natriuretic peptide (NT‐proBNP) levels at least in patients with only moderate elevation at baseline. Its impact on the risk of heart failure hospitalization (HFH) and death is not yet established, and experience in clinical routine is limited.Methods and resultsWe report on patient characteristics and clinical outcome in a retrospective, non‐randomized single‐centre registry of BAT in HFrEF. Patients in the New York Heart Association (NYHA) Classes III and IV with a left ventricular ejection fraction (LVEF) <35% despite guideline‐directed medical therapy were eligible. Symptom burden, echocardiography, and laboratory testing were assessed at baseline and after 12 months. Clinical events of HFH and death were recorded at routine clinical follow‐up. Data are shown as number (%) or median (inter‐quartile range). Between 2014 and 2020, 30 patients were treated with BAT. Median age was 67 (63–77) years, and 27 patients (90%) were male. Most patients (83%) had previous HFH. Device implantation was successful in all patients. At 12 months, six patients had died and three were alive but did not attend follow‐up. NYHA class was III/IV in 26 (87%)/4 (13%) patients at baseline, improved in 19 patients, and remained unchanged in 5 patients (P < 0.001). LVEF improved from 25.5 (20.0–30.5) % at baseline to 30.0 (25.0–36.0) % at 12 months (P = 0.014). Left ventricular end‐diastolic diameter remained unchanged. A numerical decrease in NT‐proBNP [3165 (880–8085) vs. 1001 (599–3820) pg/mL] was not significant (P = 0.526). Median follow‐up for clinical events was 16 (10–33) months. Mortality at 1 (n = 6, 20%) and 3 years (n = 10, 33%) was as expected by the Meta‐Analysis Global Group in Chronic Heart Failure risk score. Despite BAT, event rate was high in patients with NYHA Class IV, NT‐proBNP levels >1600 pg/mL, or estimated glomerular filtration rate (eGFR) <30 mL/min at baseline. NYHA class and eGFR were independent predictors of mortality.ConclusionsPatients with HFrEF who are selected for BAT are in a stage of worsening or even advanced heart failure. BAT appears to be safe and improves clinical symptoms and—to a modest degree—left ventricular function. The risk of death remains high in advanced disease stages. Patient selection seems to be crucial, and the impact of BAT in earlier disease stages needs to be established.
Complexity and multinationals
Authors: Larsen Marcus M. , Birkinshaw Julian , Zhou Yue Maggie , Benito Gabriel R. G. 
Published: September 2023

AbstractResearch SummaryThe multinational corporation (MNC) is a typical example of a complex organization. In this essay, we employ an established body of literature on complexity in organizations to explore and discuss the nature and consequences of complexity for global strategy and MNCs. On that basis, we develop a simple organizing framework for complexity in global strategies emphasizing the source (external and internal complexity) and type (process and structural complexity) of complexity. We use this framework to structure and discuss the six research contributions in this Special Issue. We conclude by suggesting additional avenues of research on the interface between global strategy and complexity.Managerial SummaryFirms internationalize because they recognize business opportunities abroad and devise strategies to successfully exploit them. At the same time, managers face increasing complexity as MNCs expand internationally and engage in more unknown and dispersed operations. Not only do MNCs face considerable complexity by operating in diverse and uncertain environments, but also by managing and coordinating organizational tasks and activities spanning multiple countries. This essay discusses these challenges and corresponding strategies for MNC managers. It also provides an overview of the six research articles included in this Special Issue about complexity and MNCs.
The self‐concept questionnaire offers a multidimensional, developmentally sensitive measure of the capacity for self‐reflection in young children
Authors: Goncharova Yaroslava , Ross Josephine 
Published: September 2023

AbstractSeveral existing instruments measure development in the content and complexity of young children's self‐knowledge, but few measure development in the process of self‐reflection. This study aimed to provide a cross‐sectional replication and longitudinal extension of the self‐concept questionnaire (SCQ), exploring the factor structure and developmental onset patterns proposed in the original paper. We collected parental reports and conceptually replicated the factor structure of the SCQ for 199 participants aged between 14 and 54 months using confirmatory factor analysis. Our data suggest that autonomy first develops at ~14–17 months, followed by self‐recognition at ~18–21 months, and self‐description/evaluation and emotional response to wrongdoing at ~26–30 months. Contrary to the original scale, we did not find a clear developmental distinction between the onsets of cognitive and emotional self‐evaluation. We can conclude that the SCQ factor structure is conceptually replicable and sensitive to developments in the self‐system across infancy to early childhood. The SCQ may, therefore, offer a useful alternative or addition to the widely used mirror mark test of self‐recognition when measuring the development of self‐reflective abilities in young children.
Registration‐enhanced multiple instance learning for cervical cancer whole slide image classification
Authors: He Qiming , Wang Chengjiang , Zeng Siqi , Liang Zhendong , Duan Hufei , Yang Jingying , Pan Feiyang , He Yonghong , Huang Wenting , Guan Tian 
Published: September 2023

AbstractHistopathological diagnosis is the golden standard for cancer diagnosis and grading. The past decade has witnessed great successes of vision‐based deep learning in computer‐aided cancer diagnosis. However, fully‐supervised methods require collecting large amounts of annotated data, which is a major challenge. In this research, we propose RMIL, a novel registration‐enhanced multiple instance learning pipeline, for cervical cancer biopsy grading of whole slide images as well as patch‐level regions. It requires only slide‐level annotations and a small amount of patch‐level annotations for training. To enhance it, an efficient registration method is implemented to generate more labeled patches with discriminative local features as data augmentations. In addition, attention mechanisms and self‐supervised learning are introduced to enhance feature extraction. Experiments showed that its classification accuracy is increased by 11.11%, compared to the vanilla multiple instance learning methods. The method has great potential for transferring to other scenarios.
Benzimidazole and piperidine containing novel 1,2,3‐triazole hybrids as anti‐infective agents: Design, synthesis, in silico and in vitro antimicrobial efficacy
Authors: Mendapara Jigarkumar V. , Vaghasiya Mahesh D. , Rajani Dhanji P. , Ahmad Iqrar , Patel Harun , Kumari Premlata 
Published: September 2023

AbstractCu alkyne‐azide cycloaddition was used to easily synthesize a library of novel heterocycles containing benzimidazole and piperidine based 1,2,3‐triazole(7a–7l) derivatives. The synthesized analogs were characterized by various spectroscopic techniques like FTIR, 1H nuclear magnetic resonance (NMR), 13C NMR, and mass spectrometry. All these novel bioactive compounds (7a–7l) were evaluated for in vitro antibacterial and antifungal efficacy. Compound 7k exhibited appreciable potent activity against Escherichia coli strain. Compounds 7a, 7b, 7f, and 7i showed excellent potent activity against all bacterial strains. Compound 7b, 7c, 7d, and 7g derivatives showed excellent effects when tested in vitro for antifungal activity against various fungal strains. Additionally, a molecular docking investigation revealed that compound 7k has the ability to bind to the active site of the E. coli DNA gyrase subunit protein and form hydrogen bonds with significant amino acid residues Asp73 and Asp49 in the active sites. In a 100 ns molecular dynamics simulation, the E. coli DNA gyrase protein's steady capacity to bind compound 7k was shown by the low measured root mean square deviation, which was an indication of the complex's conformational stability.
Conversion of lignite fly ash into synthetic zeolite by hydrothermal, fusion‐hydrothermal, and hydrothermal‐sonochemical processes
Authors: Kastanaki Eleni , Rovithi Anastasia , Iatrou Eleftheria , Stratakis Antonis , Giannis Apostolos 
Published: September 2023

AbstractOBJECTIVEThe purpose of this study was the conversion of calcareous lignite fly ash (LFA) into synthetic zeolite by hydrothermal, fusion‐hydrothermal, and hydrothermal‐sonochemical processes.METHODExperiments were carried out using raw and washed (5 N HCl) fly ash. Initially, the fractional factorial experimental design was used to plan the hydrothermal experiments and assess the process parameters, such as solid to liquid ratio (S/L), silica to aluminum oxide ratio (SiO2/Al2O3), calcium oxide content (% CaO), time, and temperature of the hydrothermal process. The optimized conditions were then applied to a two‐stage fusion‐hydrothermal process, while the influence of sonication on the conversion efficiency was tested before and after the hydrothermal process. Mineralogical analysis was performed by x‐ray diffractometer (XRD) to detect zeolite formation. Further characterization was conducted by x‐ray fluorescence (XRF), specific surface area, and laser particle analysis to assess process efficiency.RESULTS AND DISCUSIONThe results indicated the formation of four types of zeolite crystals. The washed LFA (wLFA) yielded the maximum zeolite yield when it was hydrothermally treated for 6 h at 150 °C, S/L = 1:2, and SiO2/Al2O3 = 6.3. In such conditions, phillipsite was synthesized at 27%. The yield of phillipsite zeolite was improved to 32% when the hydrothermal process was followed by a 30 min sonication process. At the same processing conditions, the use of raw LFA produced 72% crystalline tobermorite. The hydrothermal‐late sonication process can effectively convert waste fly ash into valuable products. © 2023 The Authors. Journal of Chemical Technology and Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry (SCI).
Contribution of microorganisms from pit mud to volatile flavor compound synthesis in fermented grains for nongxiangxing baijiu brewing
Authors: Wang Shuanghui , Li Zijian , Huang Dan , Luo Huibo 
Published: September 2023

AbstractBACKGROUNDNongxiangxing baijiu (NB) is known for its distinct flavor profile, which is attributed to key aroma compounds. The exposed fermentation technique, utilizing daqu and solid‐state fermentation in pit muds, plays a crucial role in flavor development. Though previous studies have investigated the impact of microorganisms from pit ?ud and fermented grains on flavor compound production, a comprehensive understanding of microbial functions in the entire pit fermentation system is lacking. Herein, we aimed to explore the role of pit‐mud‐derived microorganisms in shaping the microbial community and flavor compound synthesis in NB.RESULTSThere are 76 volatile flavor compounds that have been identified in fermented grains during NB fermentation. The main flavor compounds in NB clustered within the same network module, and 27.27% of microorganisms in the core modules of the fermented grain co‐occurrence network originated from pit mud. The relationship between pit mud microorganisms and flavor compounds revealed a significant positive correlation (92%). Notably, Prevotella and Sarocladium were identified as the main contributors to this effect on flavor.CONCLUSIONMicroorganisms originating from pit mud influenced the composition and activity of microorganisms in fermented grains and facilitated the production of flavor compounds in NB. © 2023 Society of Chemical Industry.