bluuebunny/crossref_metadata_2025 huggingface dataset:
Computational Studies and Functional Validation of Eugenol and Ferulic Acid as Inhibitors of Against Enterococcus faecalis Sortase A
Authors: Sharma Prashant , Haldiya Akanksha , Dubey Saumya , Kain Himanshi , Srivastava Vijay Kumar , Srivastava Sandeep Kumar , Kothari S. L. , Kaushik Sanket
Published: October 2024

Enterococcus faecalis (E. faecalis) is commonly occurring pathogen associated with nosocomial infections. Infections are difficult to treat because of their multidrug‐resistant (MDR) nature and their tendency to form biofilms. Therefore, it is essential to find alternative medicinal approaches to treatment. In this regard, targeting an important protein for drug development can be an alternative approach. Sortase A (SrtA) is an important enzyme involved in anchoring cell surface‐exposed proteins to the cell envelope. SrtA is present in Gram‐positive bacteria which catalyses the attachment of several virulence factors and other proteins to the cell membrane. It is involved in bacterial pathogenesis, therefore, it's a promising drug target for the development of anti‐microbial drugs targeting cell adhesion, evasion, and biofilm development. To identify SrtA potential inhibitors, we have expressed and purified E. faecalis Sortase A (EfSrtAΔN59). Structural studies using homology modelling along with molecular docking of protein with selected ligand molecules were also done. The results were confirmed by MD simulation experiments. We have also performed functional validation of these compounds on bacterial growth, anti‐biofilm assays and inhibition assays of selected ligands were also done against E. faecalis individually and in synergistic combinations. Results indicated that both Eugenol and Ferulic acid bind to EfSrtAΔN59 with significant interactions and show promising results.
Whole‐Cell Biotransformation for the Preparation of Chromopyrrolic Acid and 5,5′‐dichloro‐Chromopyrrolic Acid in Escherichia coli
Authors: Wang Lingyue , Wei Shilong , Guan Mengtie , Li Yan , Zheng Xikang , Xu Zhengren
Published: October 2024

Chromopyrrolic acid (CPA) and its congeners are important intermediates for the biosynthesis and synthesis of various dimeric tryptophan natural products. We have constructed two E. coli strains (CPA001/CPA002) harboring a single plasmid carrying genes coding for a combination of two enzymes (LaStaO/LzrO and VioB) that are able to convert L‐tryptophan (L‐Trp)/5‐chloro‐L‐tryotophan (5‐Cl−L‐Trp) to chromopyrrolic acid (CPA)/5,5’‐dichloro‐chromopyrrolic acid (5,5’‐diCl‐CPA). Effect on the production of CPA were evaluated by varying the parameters of strain cultivation and biotransformation process. Under the optimized conditions, up to 325 mg/L of CPA and 275 mg/L of 5,5’‐diCl‐CPA could be obtained by supplementing L‐Trp and 5‐Cl−L‐Trp, respectively, to a working culture of CPA001, or to a phosphate buffer‐resuspended culture of CPA002. The practicability of this whole‐cell biotransformation system could also be served as a potential platform for the preparation of CPA congeners.
Clinical insights and management perspectives in sacrococcygeal teratoma: Beyond the scalpel
Authors: Luitel Anish , Poudel Rasmita , Khan Sajjad Ahmed , Pathak Hiramani , Bhattarai Soorya , Yadav Nitesh , Parajuli Surya Bahadur
Published: October 2024

Key Clinical Message

Sacrococcygeal teratoma (SCT), a rare germ cell malignancy in newborns, necessitates prompt surgical intervention for complete resection. Long‐term follow‐up is crucial for monitoring recurrence and managing potential complications, regardless of histopathological findings, ensuring optimal outcomes and early intervention if needed.
Enhanced Selectivity to Methanol in CO2 Hydrogenation on CuO/ZrO2 Catalysts by Alkali Metal Modification
Authors: Ding Jian , Jiang Ruijun , Hu Shuai , Du Bin , Li Yan , Wang Yerong , Qiao Wei , Wang Zhenfeng , Wang Yanming , Yu Gewen , Guo Xiaohui , Wang Yuqing
Published: October 2024

In order to alleviate the influence of greenhouse effect on global climate change, the effective utilization of CO2 to prepare fine chemicals should be paid more attention to, however, which is greatly blocked by the catalyst with low efficiency. Here, alkali metal (Li, Na, or K) are employed as a modification aid to prepare CuO/ZrO2 catalyst for CO2 hydrogenation to methanol. The effects of alkali metal on physicochemical properties and catalytic activities of CuO/ZrO2 catalyst were studied in detail by the XRD, N2‐physisorption, ICP‐OES, SEM/EDS, H2/N2O/CO2/NH3‐chemisorption, and evaluation test. The results verified that the use of complex combustion method enabled the uniform combination of all components in precursor. High‐temperature calcination (700 °C) further enhanced the strong interaction and synergistic effect between Cu and ZrO2. Most importantly, the introduction of alkali metal effectively altered the structure and catalytic activity of CuO/ZrO2 catalysts. However, the selectivity to methanol increased while the CO2 conversion decreased regardless of different kinds of alkali metal being introduced to the CuO/ZrO2 catalysts. For example, CuO/ZrO2 catalyst modified by K exhibited excellent performance for methanol production that 98.9% selectivity of methanol based on 8.8% conversion of CO2 after 48 h online reaction.
Exploring Electrocatalytic CO2 Reduction Over Materials Derived from Cu‐Based Metal‐Organic Frameworks
Authors: Li Yining , Chowdhury Abhishek Dutta
Published: October 2024

The direct valorization of carbon dioxide (CO2) into value‐added chemicals offers an efficient and attractive approach to promoting carbon neutrality. Among the available methods, the electrocatalytic CO2 reduction reaction (eCO2RR) for producing multicarbon products (C2+) is gaining attention owing to its simplicity. However, achieving selective control over product formation remains a challenge. One key issue is the lack of a reliable correlation between the physicochemical properties of electrocatalytic materials and their activity and selectivity. To address this gap, we conducted a model study in which carbonized CuxZny@C materials, derived from metal‐organic frameworks (MOFs), were synthesized with varying Cu/Zn ratios. The pyrolyzed bimetallic MOFs retained key properties of the original MOFs while also developing new characteristics. These subtle changes in physicochemical properties influenced product selectivity. The findings of our study revealed that higher Zn doping favors the formation of single‐carbon (C1) products, whereas it is less favorable for multicarbon (C2+) products. Optimizing the Cu/Zn ratio was emphasized through characterization techniques, which will help guide the design of improved electrocatalytic systems for the eCO2RR process.
Enhancing Phototoxicity in BODIPY‐Perylene Charge Transfer Dyads by Combined Iodination and Mesylation
Authors: Curley Rhianne C. , Arturo Arellano‐Reyes Ruben , McPherson James N. , McKee Vickie , Keyes Tia E.
Published: October 2024

The uptake and phototoxicity of a family of BODIPY‐perylene charge transfer dyads are compared in live cancer and non‐cancer cell lines to evaluate their performance in imaging and photodynamic therapy (PDT). The impact of iodination and mesylation of the meso position of the compounds on their optical properties, cell uptake and toxicity are compared. Notably, across all derivatives the probes were minimally dark toxic up to 50 μM, (the maximum concentration tested), but exhibited outstanding phototoxicity with nanomolar IC50 values and impressive phototoxic indices (PI, ratio of dark IC50 to light IC50), with best performance for the mesylated iodinated derivative MB2PI, which had a PI of >218 and >8.9 in MCF‐7 cells and tumour spheroids respectively. This is significantly higher than non‐iodinated analogue MB2P in MCF‐7 cells with an observed PI of >109 and slightly higher than MB2PI in spheroids with a PI of >8. This compound also showed interesting emission spectral variation with localisation that responded to stimulation of inflammation. Additional studies confirmed efficient singlet oxygen generation by the BODIPYs, suggesting a Type II mechanism of phototoxicity. Overall, the data indicates that combining charge transfer and iodination is an effective strategy for enhancing phototherapeutic capacity of BODIPY PS.
Preparation, Structure, Reactivity, Lewis Acidic and Fluorescence Properties of Arylpyridine Based Boron C,N‐Chelates Featuring Weakly Coordinating Anions
Authors: Škoch Karel , Buziková Michaela , Hnyk Drahomír , Litecká Miroslava , Kloda Matouš , Kirakci Kaplan , Lang Kamil
Published: October 2024

Herein, we present the preparation of a series of electronically and/or sterically distinct borenium‐type species based on a simple 2‐arylpyridine scaffold. Corresponding arylpyridine was firstly subjected to electrophilic borylation (BBr3/i‐Pr2NEt) and formed BBr2 chelate was reduced with LiAlH4 to yield arylpyridine boron dihydride. Elimination of one hydride led to Lewis acidic borenium‐like products. Four methods of hydride elimination were evaluated and influence of counterions on reactivity, Lewis acidic and luminescent properties was assessed both experimentally and computationally. Arylpyridine chelates featuring weakly coordinating counterions exhibit fluorescent properties upon UV irradiation. Several general trends were inferred to modulate emission wavelength and fluorescence quantum yield. Based on our observations, we have devised and prepared borenium‐type fluorophores with yellow‐green fluorescence and quantum yields up to 93 %.
Orthogonal Phase Transfer of Oppositely Charged FeII4L6 Cages
Authors: Matic Ebba S. , Bernard Maylis , Jernstedt Alexandra J. , Grommet Angela B.
Published: October 2024

Coordination cages and their encapsulated cargo can be manoeuvred between immiscible liquid layers in a process referred to as phase transfer. Among the stimuli reported to drive phase transfer, counterion exchange is the most widespread. This method exploits the principle that counterions contribute strongly to the solubility preferences of coordination cages, and involves exchanging hydrophilic and hydrophobic counterions. Nevertheless, phase transfer of anionic cages remains relatively unexplored, as does selective phase transfer of individual cages from mixtures. Here we compare the phase transfer behaviour of two FeII4L6 cages with the same size and geometry, but with opposite charges. As such, this study presents a rare example wherein an anionic cage undergoes phase transfer upon countercation exchange. We then combine these two cages, and demonstrate that their quantitative separation can be achieved by inducing selective phase transfer of either cage. These results represent unprecedented control over the movement of coordination cages between different physical compartments and are anticipated to inform the development of next‐generation supramolecular systems.
Energy‐Saving Hydrogen Production from Methanol Electrocatalysis Catalyzed by Molybdenum Phosphide/Nitrogen‐Doped Carbon Polyhedrons Supported Pt Nanoparticles
Authors: Li Jiaojiao , Li Meng , Yang Fulin , Feng Ligang
Published: October 2024

Comprehensive Summary

Improving the catalytic efficiency and anti‐poisoning ability of Pt‐based catalysts is very critical in methanol electrolysis technology for high‐purity hydrogen generation. Herein, the nitrogen‐doped carbon polyhedrons‐encapsulated MoP (MoP@NC) supported Pt nanoparticles were demonstrated to be effective for methanol electrolysis resulting from the combined advantages. The nitrogen‐doped carbon polyhedrons not only greatly enhanced the conductivity but also effectively prevented the aggregation of MoP to offer Pt anchoring sites. The electronic structure modification of Pt from their interaction reduced the adsorption energy of CO*, resulting in good CO‐poisoning resistance and accelerated reaction kinetics. Specifically, Pt‐MoP@NC exhibited the highest peak current density of 106.4 mA·cm–2 for methanol oxidation and a lower overpotential of 28 mV at 10 mA·cm–2 for hydrogen evolution. Energy‐saving hydrogen production from methanol electrolysis was demonstrated in the two‐electrode systems assembled by Pt‐MoP@NC which required a low cell voltage of 0.65 V to reach a kinetic current density of 10 mA·cm–2 on the glass carbon system, about 1.02 V less than that of water electrolysis.
A Cascade Reaction Triggered by H‐H Steric Hindrance: Dimeric Covalent Organic Frameworks on Au(111) and Dimeric Nanoribbons on Ag(111)
Authors: Fu Boyu , Lu Jianchen , Geng Jianqun , Zhang Yong , Xiong Wei , Niu Gefei , Zhang Yi , Gao Lei , Cai Jinming
Published: October 2024

Comprehensive Summary

In on‐surface synthesis, dimers are typically utilized to explore reaction mechanisms or as intermediates in the formation of final products. However, constructing the innovative nanostructures with dimers as building blocks remains challenging. Here, using non‐planar 2,2′,7,7′‐tetrabromo‐9,9′‐biflurenyliden molecules, we have successfully synthesized dimeric covalent organic frameworks (COFs) on the Au(111) surface through a temperature‐controlled cascade reaction. Notably, the H‐H steric hindrance within precursors caused by double bonds leads to selective stepwise debromination during the thermal annealing, which promotes the dimerization through intermolecular Ullmann coupling and cyclodehydrogenation reaction to form COFs primarily constituted by dimer building blocks. Combining scanning tunneling microscopy/spectroscopy and density functional theory calculations, we have precisely confirmed the structural evolution and reaction mechanism. Furthermore, by introducing Ag adatoms to form C−Ag−C intermediates, we have successfully regulated the reaction path and synthesized one‐dimensional nanoribbons with dimers as building blocks. This work not only validates the strategy of synthesizing dimeric nanostructures on different surfaces through cascade reactions induced by precursor design, but also enriches the research field of surface synthesis of COFs and nanoribbons.
From Concept to Cure: The Road Ahead for Ruthenium‐Based Anticancer Drugs
Authors: Swaminathan Srividya , Haribabu Jebiti , Karvembu Ramasamy
Published: October 2024

The evolution of chemotherapy, especially the dawn of metal‐based drugs, represents a transformative era in cancer treatment. From the serendipitous discovery of mustard gas's cytotoxic effects to the sophisticated development of targeted therapies, chemotherapy has significantly refined. Central to this progression is the incorporation of metal‐based compounds, such as platinum (Pt), ruthenium (Ru), and gold (Au), which offer unique mechanisms of action, distinguishing them from organic therapeutics. Among these, Ru complexes, exemplified by BOLD‐100 and TLD1433, have shown exceptional promise due to their selective activity, lower propensity for resistance, and the ability to target spescific cellular pathways. This paper explores the journey of such Ru candidates, focusing on the mechanisms, efficacy, and clinical potential of these Ru‐based drugs, which stand at the forefront of current research, aiming to provide more targeted, less toxic, and highly effective cancer treatments.
Carbon based Composite Materials for Microwave Absorption in Low Frequency S and C Band: A Review
Authors: Hassan Sibt ul , Hou Lizhen , Kuang Daitao , Wang Shiliang
Published: October 2024

With the rapid advancement of 5G technologies and electronic devices, there is a growing demand for microwave absorbing materials, especially those effective in low frequency microwave bands (2–8 GHz), making it an essential requirement. In recent years, many innovative microwave absorbers have been developed for low frequency absorption, with carbon/magnetic composite materials becoming particularly promising due to their various loss mechanisms and optimized impedance matching characteristics over a wide frequency range. However, there is currently a lack of a comprehensive review that summarizes the findings on low frequency absorbers. This review article thoroughly examines the current research on carbon/magnetic composite materials with efficient absorption performance in the low‐frequency S and C bands. It provides a detailed discussion of the microwave absorption performance of these composite materials. Furthermore, the composite design strategies, synthesis techniques, microstructure performance relationship, and microwave attenuation mechanisms are summarized. Lastly, the challenges and future outlook for low frequency microwave absorbing materials are addressed. This review article aspires to provide new insights into designing and synthesizing composite materials to accomplish effective low‐frequency microwave absorption, thereby promoting practical applications.
On minimizers in the liquid drop model
Authors: Chodosh Otis , Ruohoniemi Ian
Published: October 2024

We prove that round balls of volume uniquely minimize in Gamow's liquid drop model.
On‐Surface Synthesis of Two‐Dimensional Carbon‐Based Networks via Hierarchical Ullmann Coupling Reactions
Authors: Qin Tianchen , Liang Baiyao , Hu Lei , Xu Qian , Wang Tao , Zhu Junfa
Published: October 2024

The recent developed bottom‐up on‐surface synthesis offers unprecedent opportunities for the fabrication of two‐dimensional (2D) carbon‐based networks with atomic precision. Hierarchical coupling approach has been proposed as an efficient strategy for improving the corresponding reaction selectivity and quality of target structures. Herein, we report the synthesis of a nitrogen‐doped carbon‐based network on Ag(100) utilizing a hierarchical Ullmann coupling strategy. The accurate identification of reaction intermediates and products by scanning tunneling microscopy allows us to unravel the reaction mechanism. The synthetic process of 2D carbon‐based networks is kinetics‐driven, relying on the competition between dechlorination and C−C coupling. We expect that our discussion on the mechanism of hierarchical coupling may shed light on the rational design and precise synthesis of 2D carbon‐based networks on surfaces.
Turning Trash to Treasure: The Influence of Carbon Waste Source on the Photothermal Behaviour of Plasmonic Titanium Carbide Interfaces
Authors: Margeson Matthew J. , Atwood Mark , Dasog Mita
Published: October 2024

Pyrolysis of carbonaceous waste material has become an attractive method of recycling to generate value added products. Alongside pyrolytic oil and gas fractions, the thermal degradation forms solid pyrolytic char, which can be further processed. Local waste materials, including birch wood residue (BW), Reynoutria japonica stems (KW), spent coffee grounds (CG), tire rubber (TR), and lobster shells (LS) we assessed to form pyrolytic char. Using a simple acid treatment step on the chars, this study has shown successfully incorporate many of them into the low‐temperature synthesis of plasmonic TiC NPs. Each char was shown to display distinctive physical and chemical characteristics, which was exploited to synthesize TiC NPs with unique properties. To study the plasmonic behaviour of each TiC sample, solar driven desalination experiments were conducted. TiC formed from TR char achieved broadband absorbance of ~95 % of the solar spectrum, reaching a near‐perfect solar‐to‐vapor generation efficiency of 95 %, or a water generation rate of 1.40±0.01 kg m−2 h−1 under one‐sun illumination. This makes it the best performing of all chars tested, and among the top performers reported in the literature to date. The evaporators maintain activity over time and under strongly hypersaline conditions.
One‐Step Synthesis of Melem‐Based Supramolecular Assemblies and Their Photocatalytic Properties
Authors: Shvalagin Vitaliy , Markushyna Yevheniia , Piankova Diana , Grape Erik Svensson , Tarakina Nadezda V. , Savateev Oleksandr
Published: October 2024

In this work, melem‐based supramolecular assemblies were obtained in one step by thermal treatment of melamine in an autoclave in the presence of sodium chloride. The detailed analysis showed that the obtained powder consists of two phases: poorly crystalline Na‐PHI flakes and rod‐shaped melem hydrate single crystals (several micrometers long and ~300–500 nm wide). Melem hydrate crystals absorb light in the visible range (Eg=2.7 eV) and demonstrate photocatalytic activity in the reaction of partial oxidation of benzyl alcohol to benzaldehyde by air under visible light with high selectivity for the target product. At 60 % conversion of benzyl alcohol, the selectivity of benzaldehyde formation is above 95 %.
Plant growth regulator effects on red fescue seed crops in diverse production environments
Authors: Bhattarai Surendra , Khanal Nityananda , Anderson Nicole P. , Yoder Calvin L.
Published: October 2024

Strong creeping red fescue (Festuca rubra L. spp. rubra Gaudin) is a cool‐season perennial turfgrass widely used in temperate and subalpine regions around the globe. Although creeping red fescue turf is tolerant of shade, low fertility acidic soils, and drought conditions, creeping red fescue seed crops grown in optimal growing environments can lodge, ultimately reducing yield in regions where this important turfgrass is grown for seed. To address this issue, we investigated the effects of two plant growth regulators (PGRs), chlormequat chloride (CCC) and trinexapac‐ethyl (TE), on plant height, lodging, and seed yield of strong creeping red fescue over 9 site‐years in the Peace River region of western Canada. The study encompassed 6 site‐years with first‐year stands and 3 site‐years with second‐year stands. The PGRs were applied alone and in a TE + CCC mixture at the two‐node (BBCH 32–33, where BBCH is Biologische Bundesanstalt, Bundessortenamt and Chemische Industrie) and early head emergence (BBCH 51–52) growth stages in first‐ and second‐year stands, respectively. The application of TE, CCC, and their mixture resulted in a differential decrease in lodging and an increase in seed yield in first‐year stands. However, PGRs applied at BBCH 51–52 on second‐year stands had no effect on seed yield but reduced plant height and lodging. This study found a negative correlation between seed yield and lodging. Among the PGR treatments, the CCC + TE mixture was the most effective in reducing lodging and increasing seed yield of strong creeping red fescue.
Fashion and sustainability: Evidence from the consumption of second‐hand clothes
Authors: Sepe Fabiana , Valerio Muto , Anna Prisco , Mario Tani
Published: October 2024

Companies are becoming increasingly involved with sustainability as various stakeholders require them to orient their activities in line with sustainability and its principles. In some industries, such as the food industry and the fashion industry, these requests are particularly relevant because they are considered to be keenly related to environmental and social issues. In this study, by integrating Ajzen's theory of planned behavior with Schwartz's norm activation model, we seek to understand the main drivers behind a consumer's decision to engage in second‐hand clothes buying processes. Our results not only highlight the advantages of integrating various models to obtain a more rounded perspective on ethical consumer motivations but also enable the identification of relevant drivers of this specific behavior. Accordingly, the results might help managers in this industry be more effective in their sustainability activities, as those activities result in positive perceptions among consumers and, thus, might trigger second‐hand clothes purchases.
New Active Ingredients for Sustainable Modern Chemical Crop Protection in Agriculture
Authors: Jeschke Peter
Published: October 2024

Today, the agrochemical industry faces enormous challenges to ensure the sustainable supply of high‐quality food, efficient water use, low environmental impact, and the growing world population. The shortage of agrochemicals due to consumer perception, changing needs of farmers and ever‐changing regulatory requirements is higher than the number of active ingredients that are placed on the market. The introduction of halogen atoms into an active ingredient molecule offers the opportunity to optimize its physico‐chemical properties such as molecular lipophilicity. As early as 2010, around four‐fifths of modern agrochemicals on the market contained halogen atoms. In addition, it becomes clear that modern agrochemicals have increasingly complex molecular structures with one or more stereogenic centers in the molecule. Today, almost half of modern agrochemicals are chiral molecules (herbicides, insecticides/acaricides/nematicides ≪ fungicides) and most of them consist of mixtures such as racemic mixtures of enantiomers, followed by mixtures of diastereomers and mixtures of pure enantiomers. Therefore, it is important that halogen‐containing substituents or stereogenic centers are considered in the structural optimization of the active ingredients to ultimately develop sustainable agrochemicals in terms of efficacy, ecotoxicology, ease of use and cost‐effectiveness.
Closed‐Loop and Precipitation‐Free CO2 Capture Process Enabled by Electrochemical pH Gradient
Authors: Zhou Jiayin , Guan Xiaofei
Published: October 2024

Carbon dioxide (CO2) capture is a crucial negative‐emission technology for the mitigation of climate change and global warming. The urgent need of combating climate change motivates the research and development of economical, effective and environmentally benign processes for CO2 capture. Herein, we design and report a flow cell for the CO2 capture from air or flue gas in a precipitate‐free and closed‐loop manner. No ion‐exchange membrane is used in the electrolyser. The water electrolysis produces acidic solution near the anode and alkaline solution near the cathode, while generating valuable hydrogen and oxygen byproducts. The dilute CO2 in air or flue gas is captured by the alkaline solution, which is then mixed with the acidic solution to release the concentrated CO2. The process operates in a cyclic manner as driven by the water electrolysis and the mechanical pumping. No precipitation of calcium carbonate is involved for fixing CO2, which may simplify the separation process and minimizing the materials loss. The simple process enabled by electrochemical pH gradient shows promise for efficient CO2 capture on both small and large scales.
Automated remote speech‐based testing of individuals with cognitive decline: Bayesian agreement of transcription accuracy
Authors: König Alexandra , Köhler Stefanie , Tröger Johannes , Düzel Emrah , Glanz Wenzel , Butryn Michaela , Mallick Elisa , Priller Josef , Altenstein Slawek , Spottke Annika , Kimmich Okka , Falkenburger Björn , Osterrath Antje , Wiltfang Jens , Bartels Claudia , Kilimann Ingo , Laske Christoph , Munk Matthias H. , Roeske Sandra , Frommann Ingo , Hoffmann Daniel C. , Jessen Frank , Wagner Michael , Linz Nicklas , Teipel Stefan
Published: October 2024

Introduction

We investigated the agreement between automated and gold‐standard manual transcriptions of telephone chatbot‐based semantic verbal fluency testing.

Methods

We examined 78 cases from the Screening over Speech in Unselected Populations for Clinical Trials in AD (PROSPECT‐AD) study, including cognitively normal individuals and individuals with subjective cognitive decline, mild cognitive impairment, and dementia. We used Bayesian Bland–Altman analysis of word count and the qualitative features of semantic cluster size, cluster switches, and word frequencies.

Results

We found high levels of agreement for word count, with a 93% probability of a newly observed difference being below the minimally important difference. The qualitative features had fair levels of agreement. Word count reached high levels of discrimination between cognitively impaired and unimpaired individuals, regardless of transcription mode.

Discussion

Our results support the use of automated speech recognition particularly for the assessment of quantitative speech features, even when using data from telephone calls with cognitively impaired individuals in their homes.

Highlights

High levels of agreement were found between automated and gold‐standard manual transcriptions of telephone chatbot‐based semantic verbal fluency testing, particularly for word count.

The qualitative features had fair levels of agreement.

Word count reached high levels of discrimination between cognitively impaired and unimpaired individuals, regardless of transcription mode.

Automated speech recognition for the assessment of quantitative and qualitative speech features, even when using data from telephone calls with cognitively impaired individuals in their homes, seems feasible and reliable.
Habitat structure and an introduced predator limit the abundance of an endangered ground‐nesting bird
Authors: Parker David G. , Cameron Matthew , Gordon Christopher E. , Letnic Mike
Published: October 2024

Understanding the factors that limit the abundance of threatened species is critical for the development of effective conservation strategies. However, gaining such knowledge from monitoring programs and using it to inform decision‐making for rare species can be difficult due to methodological issues posed by the problems of distinguishing true absences from false absences and the analysis of datasets dominated by zero counts. The plains‐wanderer (Pedionomus torquatus) is a critically endangered ground‐nesting bird that occurs in grasslands of southeastern Australia. Decline of the plains‐wanderer has been attributed to habitat modification but little emphasis has been placed on the role of introduced predators, such as the red fox (Vulpes vulpes), which have had a devastating effect on small ground‐dwelling vertebrates in dryland regions of Australia. Here, we use a 9‐year time series of spotlight counts to investigate the impact of vegetation structure and fox presence on plains‐wanderer occupancy and abundance. We used distance sampling to determine the effective strip width for sighting plains‐wanderers during spotlight surveys. We then used a hurdle model approach whereby binomial generalized additive models were fitted to presence/absence data within the effective strip‐width across all sites and negative‐binomial models were fitted to an index of abundance at sites where plains‐wanderers were observed. Plains‐wanderer occupancy and abundance fluctuated markedly through time. Where foxes were absent, occupancy (but not abundance) of plains‐wanderers showed a humped relationship with grass height with an optimal height between 50 and 150 mm. Where foxes were present however, this relationship broke down and plains‐wanderers were rarely recorded. Our results suggest that plains‐wanderers should benefit from management strategies that maintain grass height at optimal levels and exclude foxes or effectively suppress their populations. A key message from this study is that if statistical analyses of data generated by monitoring programs for rare species are intended to inform management decisions by identifying relationships between threatened species and drivers of their abundance, there should be consideration of analytic approaches that account for true and false zeroes, high prevalence of zeroes, and the possibility of nonlinear responses.
Impact of invasive alien plants on the resident floral diversity in Koshi Tappu Wildlife Reserve, Nepal
Authors: Bhattarai Divya , Lamichhane Saurav , Regmi Aayoush Raj , Joshi Khagendra Prasad , Pandeya Pratik , Dhami Bijaya , Gautam Ambika Prasad , Adhikari Hari
Published: October 2024

Invasive alien plant species (IAPS) pose a serious threat to overall plant biodiversity across the globe. Nepal's national parks and protected areas are not devoid of the impact of IAPS. Unfortunately, there is a substantial gap in knowledge regarding the extent and impact of invasion in protected areas of Nepal. This study assessed the impact of invasive alien plant species on the resident plant species of the Koshi Tapu wildlife reserve. After a preliminary field observation, we selected five major IAPS in the area, Mesosphaerum suaveolens, Chromolaena odorata, Ipomoea carnea, Lantana camara, and Mikania micrantha for this study. Ten pairs of adjacent plots sized 4 m × 4 m were surveyed for each invasive species, comprising diverse vegetation types. Each pair consisted of one “invaded plot” where the invasive species was dominant with cover greater than 50%, and another “uninvaded plot” laid out in an adjacent area with similar site conditions but without the invasive species. We calculated the Sørensen Index of Similarity for each paired plot. Wilcoxon rank‐sum test was employed to compare ecological parameters between invaded and uninvaded plots for various plant species. Similarly, the difference in impact between each of the five invasive species was assessed using the Kruskal–Wallis test. Species richness varied significantly between invaded and uninvaded plots for C. odorata and I. carnea. The most significant impact on species composition of invaded communities (39.6%) was observed for C. odorata. The cover of the other dominant species varied significantly between invaded and uninvaded plots for all five species studied. The Kruskal–Wallis test showed no significant difference in the impact caused by the five studied invasive species on Species richness, Shannon–Wiener diversity index, species evenness, and height of dominant species. However, a significant difference was observed between the impacts of five studied invasive species and the cover of other dominant species. The crown cover of dominant species decreased much more in the invaded plots of L. camara and M. micrantha than in other species. Specialized management efforts are required to control highly invasive species, such as C. odorata and I. carnea, alongside proactive measures to prevent further spread in ecologically sensitive areas.
Investigating the Correlation Between Cognitive Function and Fasting Blood Sugar, Fasting Insulin Level and Insulin Sensitivity in Patients With Multiple Sclerosis
Authors: Rezaeimanesh Nasim , Abbasi Kasbi Naghme , Saeedi Roghayyeh , Sahraian Mohammad Ali , Razeghi Jahromi Soodeh , Naser Moghadasi Abdorreza
Published: October 2024

Introduction

There has been a surge in interest in identifying the factors that impact cognitive impairment (CI) in patients with multiple sclerosis (MS). The purpose of our study was to examine the correlation between fasting blood sugar (FBS), fasting insulin level, as well as insulin sensitivity and cognitive function in patients with MS.

Material and Methods

A total of 85 patients with MS enrolled in this cross‐sectional study. Insulin sensitivity (IS) was determined using the quantitative insulin sensitivity check index (Quicki) formula. Cognitive function was evaluated using the Persian version of the Brief International Cognitive Assessment for MS (BICAMS). Spearman correlation test was employed to examine the correlation between cognition and FBS, insulin and IS.

Results

The mean ± SD age of the participants was 39.4 ± 10.2 years, and 62 (72.9%) were female. The participants had a FBS level of 87.05 ± 11.73 mg/dL, insulin level of 10.14 ± 7.57 μU/mL and a Quicki index of 0.36 ± 0.05. A higher score on the BVMT‐R and BVMT‐R‐Delayed subtests showed a significant negative correlation with FBS (r: −0.32; p: 0.003 and r: −0.31; p: 0.004, respectively). Conversely, a significant negative correlation (r: −0.24; p: 0.031) was observed between higher fasting insulin levels and the CVLT_II score. IS showed a positive correlation with the CVLT‐II (r: 0.24; p: 0.027) and BVMT_R (r: 0.21; p: 0.054) subtests.

Conclusion

Our data indicate that elevated fasting glucose, developed fasting insulin levels and reduced insulin sensitivity may serve as potential predictors for CI in patients with MS.
Optimizing eDNA Replication for Standardized Application in Lotic Systems in Aotearoa, New Zealand
Authors: Smith Josh , David Bruno , Hicks Andy , Wilkinson Shaun , Ling Nicolas , Fake Daniel , Suren Alastair , Gault Amy
Published: October 2024

National standardization of ecological sampling protocols between different agencies in Aotearoa New Zealand has historically been difficult to attain, creating challenges for combining datasets for national scale analyses. The introduction of new methods for biological monitoring, such as environmental DNA (eDNA), presents an opportunity to standardize aquatic sampling protocols prior to widespread adoption. The objective of this study was to optimize eDNA sample replication for the consistent characterization of freshwater fish and macroinvertebrate communities in flowing waters, and ultimately, to inform the development of robust national monitoring standards. A comparison of field replication and extraction methods (pooling of preservation buffer) was also trialed as part of this high replication (n = 16) eDNA study to assess any potential benefits in measuring species richness and reducing processing costs alongside replication optimisation. This involved two ‘syringe’ sampling methods (‘standard’ and ‘boosted’, eight each) conducted across 54 riverine sites throughout the country. No significant difference was found for species richness between the standardized (eight replicates) or boosted (16 replicates composited to eight) eDNA methods for fish and macroinvertebrates. Results indicated that six replicates were needed to consistently detect 89.5% of fish species likely to be present using field‐based syringe eDNA sampling and preservation. However, an altitudinal species richness effect was observed for fish. For macroinvertebrates, six replicates were required to identify 86% of taxa identified to the NEMS (National Environmental Monitoring Standards) level used for the Macroinvertebrate Community Index (MCI: usually genera) while eight replicates were required to detect 89% of NEMS taxa. For fish and macroinvertebrate biodiversity, this study suggests that six replicates are a reasonable trade‐off between effective community characterization and cost in New Zealand lotic systems.
Synthesis, Characterisation, and Coordination Behaviour of Novel Pyridyl‐formamidine Based Mn(I), Cu(II), Zn(II), and Pd(II) Complexes
Authors: Mana Edor Juliana , Cassiem Joseph M. , Jordaan Johan H. L. , Vosloo Hermanus C. M. , Swarts Andrew J.
Published: October 2024

We report a new synthetic approach for the synthesis of less‐explored unsymmetrical pyridyl‐formamidine ligands and their coordination behaviour to form Mn(I), Cu(II), Zn(II), and Pd(II) complexes. The one‐step process for synthesising the unsymmetrical pyridyl‐formamidine compounds offers the advantage of being functional‐group tolerant and less cumbersome. Generally, the pyridyl‐formamidine ligands coordinate to the metal centres in a bidentate fashion to form a six‐membered chelate as established by spectroscopic and crystallographic analysis. It was observed that the formamidine functionality is prone to hydrolysis in the presence of methoxy substituent on the phenyl ring and/or acetate‐containing metal precursors.
Peak alpha frequency differs between chronic back pain and chronic widespread pain
Authors: McLain Natalie , Cavaleri Rocco , Kutch Jason
Published: October 2024

Background

Low peak alpha frequency (PAF) is an electroencephalography (EEG) outcome associated reliably with high acute pain sensitivity. However, existing research suggests that the relationship between PAF and chronic pain is more variable. This variability could be attributable to chronic pain groups typically being examined as homogenous populations, without consideration being given to potential diagnosis‐specific differences. Indeed, while emerging work has compared individuals with chronic pain to healthy controls, no previous studies have examined differences in PAF between diagnoses or across chronic pain subtypes.

Methods

To address this gap, we reanalysed a dataset of resting state EEG previously used to demonstrate a lack of difference in PAF between individuals with chronic pain and healthy controls. In this new analysis, we separated patients by diagnosis before comparing PAF across three subgroups: chronic widespread pain (n = 30), chronic back pain (n = 38), and healthy controls (n = 87).

Results

We replicate the original finding of no significant difference between chronic pain groups and controls, but also find that individuals with widespread pain had significantly higher global average PAF values than those of people with chronic back pain [p = 0.028, β = 0.25 Hz] after controlling for age, sex, and depression.

Conclusions

These novel findings reveal PAF values in individuals with chronic pain may be diagnosis‐specific and not uniformly shifted from the values of healthy controls. Future studies should account for diagnosis and be cautious with exploring homogenous ‘chronic pain’ classifications during investigations of PAF.

Significance

Our work suggests that, contrary to previous hypotheses, inter‐individual differences in PAF reflect diagnosis‐specific mechanisms rather than the general presence of chronic pain, and therefore may have important implications for future work regarding individually‐tailored pain management strategies.
Determination of an Anti‐Parasitic Active Pharmaceutical Ingredient in Wastewater Effluents Using Capillary Zone Electrophoresis
Authors: O'Sullivan‐Carroll Emma , Hogan Anna , O'Mahoney N. , Howlett S. , Pyne C. , Downing P. , Lynch M. , Moore Eric
Published: October 2024

Ireland has a successful pharmaceutical industry with over 100 pharmaceutical manufacturing sites across the island. Although this success has many benefits, the irreversible effects emissions from pharmaceutical manufacturing can have on the environment are a major drawback. Although known pollutants are regularly monitored with limits set out by the Environmental Protection Agency, one significant pollutant has been overlooked: pharmaceutical pollution. Detecting these pollutants and ensuring they are at a safe concentration for the environment is of utmost importance. In recent years, capillary electrophoresis is being recognised as a suitable alternative to high‐performance liquid chromatography due to its many benefits such as faster analysis, water‐based buffers and smaller sample volumes. In this paper, a capillary zone electrophoresis (CZE) method with a preconcentration step of solid‐phase extraction was developed for an anti‐parasitic active pharmaceutical ingredient (API) called ZB23. The API was successfully detected in a wastewater sample in less than 10 min using the CZE parameters of 25 mM borate buffer with a pH of 10.5, 15% MeOH, 10 kV voltage, 25 mbar for 5 s injection size, an Lt of 40 cm, an Ld of 31.5 cm and a detection wavelength of 214 nm.
An Antiferroelectric‐Coated Metal Foam Infiltrated with Liquid Metal as a Dielectric Capacitor
Authors: Hanrahan Brendan , Leff Asher , Sesar Alexis , Fish Michael , Jaszewski Samantha T. , Kropp Jaron A. , Strnad Nicholas , Ihlefeld Jon F. , Lazarus Nathan
Published: October 2024

Nickel metal foams serve as both a substrate and bottom electrode for a dielectric capacitor using atomic‐layer deposition (ALD) and a eutectic gallium–indium (EGaIn) liquid metal (LQM) counter electrode. The conformal dielectric has a composition of 6.25% Al–HfO2 in the antiferroelectric phase, confirmed with polarization versus electric field measurements. Liquid EGaIn is pressure‐infiltrated within the coated foams to form the dielectric capacitor. Capacitances up to 4 μF are realized. Calorimetry of the infiltrated capacitor shows a 60 J g−1 latent heat upon melting a frozen EGaIn electrode, suggesting that the phase change can alleviate thermal deviations from pulsed power capacitor operation. Infiltrated capacitors are also shown to survive bending and freeze–thaw cycles. The metal foam–ALD dielectric–LQM capacitor shows a combined set of thermal and electrical properties not available in other classes of capacitors.
Prediction of Ductile Damage in Composite Material Used in Type IV Hydrogen Tanks by Artificial Neural Network and Machine Learning with Finite Element Modeling Approach
Authors: Kadri Kheireddin , Kallel Achraf , Guerard Guillaume , Ben Abdallah Abir , Ballut Sébastien , Fitoussi Joseph , Shirinbayan Mohammadali
Published: October 2024

This study investigates the degradation process of composite materials used in high‐pressure hydrogen storage vessels by employing advanced computational techniques. A recurrent neural network, specifically a bidirectional long short‐term memory (Bi‐LSTM) network, is utilized to predict the temporal evolution of ductile damage. The key degradation features are extracted from finite element modeling (FEM) computations using group method of data handling algorithms and treated as time‐series data. Results demonstrate that the Bi‐LSTM network can accurately undergo both elastic and plastic behaviors of the composite under tensile strength. Additionally, traditional machine learning (ML) algorithms such as extreme gradient boosting and random forest are employed to forecast strain degradation, showing promising results. This hybrid approach combining FEM, ML, and deep learning provides a comprehensive method for predicting the degradation of composite materials, offering significant potential for optimizing the design and durability of hydrogen storage vessels.
Adsorption and Catalysis Effects of LaMnO3 Nanosheets for High‐Performance Li–S Batteries
Authors: Su Yihang , Lu Hai , Zhou Ben , Li Cong , Xiao Xiao , Luo Shuliang , Ma Yitian , Yuan Yan
Published: October 2024

In this article, an effective redox regulation strategy of Li–S batteries is illustrated by introducing a unique petal‐like LaMnO3 nanosheet (LMO‐NS) into the sulfur cathode. It is found that the LMO‐NS with abundant active sites offers strong chemical affinity toward the sulfur species, which play key roles in immobilizing the produced polysulfides during charge/discharge operation and then accelerating their redox conversion. Consequently, the Li–S reaction kinetics is remarkably boosted and the polysulfide shuttle is greatly alleviated owing to the adsorption‐catalysis effects of the LMO‐NS, which endows the composite cathode with increased reversible capacity and improved cycle and rate capability.
Policy entrepreneurship for transformative governance
Authors: Arnold Gwen , Ludwick Sara , Mohsen Fatemi S. , Krause Rachel , Long Le Anh Nguyen
Published: October 2024

Scholarship is growing on societal transitions, describing radical societal change involving multiple sectors and scales, and transformative governance, describing how public, private, and civil society actors use tools of policy to pursue this fundamental change, aiming to build resiliency and sustainability. Much of this literature has a systems‐level focus and does not closely examine how governance participants, working individually or collectively, can steer a jurisdiction toward or away from transformativeness. This paper offers a corrective, integrating policy entrepreneurship scholarship with transformative governance research to advance understanding of how human agency underpins societal change. Drawing on accounts from 50 interviewees across eight case studies of US cities grappling with flooding hazards, we show how policy entrepreneurship can boost the political and economic resources that city officials rely upon to help propel radical shifts towards greater social, economic, and environmental equity.