bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimization of 1H‐MRS methods for large‐volume acquisition of low‐concentration downfield resonances at 3 T and 7 T
Authors: Wilson Neil E. , Elliott Mark A. , Nanga Ravi Prakash Reddy , Swago Sophia , Witschey Walter R. , Reddy Ravinder
Published: September 2024

Purpose

This goal of this study was to optimize spectrally selective 1H‐MRS methods for large‐volume acquisition of low‐concentration metabolites with downfield resonances at 7 T and 3 T, with particular attention paid to detection of nicotinamide adenine dinucleotide (NAD+) and tryptophan.

Methods

Spectrally selective excitation was used to avoid magnetization‐transfer effects with water, and various sinc pulses were compared with a band‐selective, uniform response, pure‐phase (E‐BURP) pulse. Localization using a single‐slice selective pulse was compared with voxel‐based localization that used three orthogonal refocusing pulses, and low bandwidth refocusing pulses were used to take advantage of the chemical shift displacement of water. A technique for water sideband removal was added, and a method of coil channel combination for large volumes was introduced.

Results

Proposed methods were compared qualitatively with previously reported techniques at 7 T. Sinc pulses resulted in reduced water signal excitation and improved spectral quality, with a symmetric, low bandwidth‐time product pulse performing best. Single‐slice localization allowed shorter TEs with large volumes, enhancing signal, whereas low‐bandwidth slice‐selective localization greatly reduced the observed water signal. Gradient cycling helped remove water sidebands, and frequency aligning and pruning individual channels narrowed spectral linewidths. High‐quality brain spectra of NAD+ and tryptophan are shown in 4 subjects at 3 T.

Conclusion

Improved spectral quality with higher downfield signal, shorter TE, lower nuisance signal, reduced artifacts, and narrower peaks was realized at 7 T. These methodological improvements allowed for previously unachievable detection of NAD+ and tryptophan in human brain at 3 T in under 5 min.
Partial information sharing in supply chains with ARMA demand
Authors: Kovtun Vladimir , Giloni Avi , Hurvich Clifford , Shamir Noam
Published: September 2024

In this paper we suggest a novel mechanism for information sharing that allows a retailer to control the amount of shared information, and thus to limit information leakage, while still assisting the supplier to make better‐informed decisions and improve the overall efficiency of the supply chain. The control of the amount of leaked information facilitates information sharing because, absent such control, a retailer may refrain from sharing information due to the concern of information leakage. Specifically, we analyze a supply chain in which a retailer observes Autoregressive Moving Average (ARMA) demand for a single product where all players use the myopic order‐up‐to policy for determining their orders. We introduce a new class of information sharing arrangements, coined partial‐information shock (PaIS) sharing. This new class of information sharing agreements extends the previously studied mechanisms of demand sharing and full‐information shock sharing. We demonstrate that the retailer can construct a PaIS sharing arrangement that allows for an intermediate level of information sharing while simultaneously controlling the amount of leakage. We characterize when one PaIS arrangement will be more valuable to the supplier than another. We conclude with a numerical study that highlights that there does not necessarily need to be a tradeoff between the supplier having a better forecast and the retailer experiencing a higher level of leakage.
Synthesis and Characterization of Nano‐Crystallite Triple Super Phosphate (TSP) from Marine Mollusk Waste: Babylonia japonica, Oliva sayana, and Conasprella bermudensis
Authors: Kawsar Md. , Sahadat Hossain Md. , Akter Sumaiya , Farhad Ali Md. , Bahadur Newaz Mohammed , Ahmed Samina
Published: September 2024

The study aims to synthesize nano‐crystallite TSP using renewable, low‐cost, waste marine mollusk from three different species such as Babylonia japonica, Oliva sayana, and Conasprella bermudensis. The molar ratio of phosphate to calcium in triple superphosphate [TSP, Ca(H2PO4)2.H2O] significantly impacts its properties and fertilizer performance, in this case, we kept the ratio to 2. Raw TSP has a high phosphate content and lower calcium content. The synthesized TSP was analyzed using various techniques including TGA, XRD, EDX, FT‐IR, and SEM. The study utilized multiple XRD model equations to analyze crystallite size (
), with all models except the Liner straight‐line method providing higher estimates for synthesized TSP. Furthermore, the values for stress (2×107 to 4×107 N/m2), strain (4×10−4 to 9×10−4), as well as energy density (4.54×103 to 16.27×103 J/m3) were also calculated for the synthesized product. However, the preferential growth calculation indicates that (010), (021), and (020) planes are the most thermodynamically stable planes for the growth of the synthesized TSP. Apart from that, FTIR result confirms that CaO, −OH, as well as PO43− functional groups are present in the synthesized products. This research suggests that marine mollusks can be utilized as a calcium precursor for P‐fertilizer and 60 % phosphoric acid, thereby reducing production costs by eliminating additional dehydrating. Additionally, waste marine mollusk shells could be utilized as an alternative to the production of phosphate‐based fertilizer.
Optically clear pressure‐sensitive adhesive with flexible crosslinking agent for high recovery efficiency, low energy storage modulus, and excellent folding resistance
Authors: Min Jinbiao , Qu Jinqing
Published: September 2024

Optically clear pressure‐sensitive adhesive (OCA) possesses exceptional optical properties and exhibits pressure‐sensitive adhesion, making it widely utilized in the adhesive layers of various electronic display devices. However, the increasing popularity of foldable mobile phones in recent years has imposed new requirements on the overall performance of OCA. Conventional pressure‐sensitive adhesives can enhance recoverability through cross‐linking but often demonstrate inadequate adhesive strength. In this study, three long‐chain crosslinking agents (CL) were synthesized using hydroxyethyl acrylate (HEA), dicyclohexylmethane diisocyanate (HMDI), polypropylene glycol (PPG), polyether amine (PEA), and hydroxyl‐terminated polybutadiene (R45V). The long‐chain CL agent contains numerous flexible segments that improve the recovery capability of the OCA while maintaining a certain level of adhesion. The optical clear pressure‐sensitive adhesive, crosslinked by three flexible crosslinkers, exhibits a low glass transition temperature (−60 to −40°C) and a low storage modulus (<0.1 MPa), along with an appropriate 180° stripping force (6–8 N/25 mm). Optically transparent pressure‐sensitive adhesives demonstrate excellent recovery properties (>85%), high light transmittance (>92%), and exceptional flexibility. Moreover, compared to market products, the optically transparent pressure‐sensitive adhesive shows superior folding resistance (>100,000 times). This indicates its suitability for applications in flexible optical displays such as foldable mobile phones and wearable electronics.
Evaluation of phytotoxic potential in Asteraceae plant extracts for biological control of Echinochloa crus‐galli and Echinochloa colona
Authors: Trang Nguyen Thi Thuy , Cuong Nguyen The , Van Vang Le , Le Thi Ho
Published: September 2024

This study evaluates the phytotoxic potential of methanolic extracts from six Asteraceae species: Wedelia chinensis, Helianthus annuus, Cosmos bipinnatus, Tagetes erecta, Tithonia diversifolia, and Zinnia elegans. The extracts were tested at concentrations of 0.03, 0.1, 0.3, and 1.0 g/mL to assess their inhibitory effects on the radicle and hypocotyl lengths of Echinochloa crus‐galli and Echinochloa colona. The two most potent species, C. bipinnatus and T. diversifolia, were further evaluated using extracts from their roots, stems, and leaves. Among these, C. bipinnatus leaf extracts showed the most significant phytotoxicity and were tested at 20, 40, and 60 days of plant age. At 0.03 g/mL, C. bipinnatus extract inhibited the hypocotyl and radicle lengths of E. colona by 23.01% and 56.45%, and E. crus‐galli by 8.5% and 36.35%, respectively. At 1.0 g/mL, the extract inhibited the hypocotyl lengths of E. colona and E. crus‐galli by 97.54% and 88.15%, and the radicle lengths by 93.52% and 99.99%, respectively. The 60‐day‐old C. bipinnatus leaf extract exhibited the highest inhibitory effect, correlating with the identification of key allelochemicals such as cinnamic acid, caffeic acid, coumaric acid, ferulic acid, 2‐4 dimethohydroxy benzoic acid, and salicylic acid. These findings suggest that the 60‐day‐old C. bipinnatus leaf extracts have strong potential for use in the biological control of these weed species, offering a promising avenue for the development of natural herbicides.
Study on the UV aging resistance of ZnO‐modified epoxy resin by experiments and MD simulation
Authors: Zhang Hao , Chu Xiaocheng , Ding Qingjun , Zhao Gai , Li Huafeng
Published: September 2024

This study investigates the impact of zinc oxide nanoparticles on epoxy resin systems and the ultraviolet (UV) aging resistance of modified epoxy resin composites using molecular dynamics (MD) simulations and experimental methods. Initially, various epoxy resin cross‐linking models are established through MD simulations to understand the influence of different nano ZnO contents on resin modification, further validated by experiments. Subsequently, the UV radiation resistance of nano ZnO–epoxy resin composites is assessed by subjecting them to high‐intensity UV radiation equivalent to 3 years of natural environmental conditions, analyzing changes in tensile properties, impact performance, hardness, and glass transition temperature of epoxy resin before and after UV radiation exposure. The findings suggest that the addition of nano zinc oxide reduces the impact of UV radiation on epoxy resin, with optimal UV radiation resistance observed at a nano zinc oxide mass fraction of 0.3 wt%.
New porous adsorbents based on natural polymers for treatment of motor oil contaminated wastewaters
Authors: Spiridon Iuliana , Apostol Irina , Dinu Maria Valentina , Anghel Narcis , Doroftei Florica
Published: September 2024

This study aims to develop efficient adsorptive materials for retaining used 5w40 motor oil using xanthan (XG), xanthan esterified with acrylic acid (XGAC), Lignoboost lignin (LB), and LB esterified with oleic and stearic acids. The adsorption capacities of these materials were systematically evaluated, revealing a hierarchical efficacy with XG exhibiting the highest performance (60.16 g/g), followed by XGAC/LB (59.92 g/g) and XGAC (55.79 g/g). These capacities were correlated with the materials' surface area and morphology. Additionally, accelerated weathering studies assessed the degradation process of the adsorptive materials over time, revealing that all of them undergo significant structural changes, which suggests potential pathways for environmentally friendly disposal. Kinetic studies indicated that the experimental data fit well with the pseudo‐second‐order (PSO) model. The high correlation coefficient values for the PSO model (0.9318–0.9998) confirmed its suitability for describing the kinetics of oil sorption. FTIR spectra of the used motor oil‐loaded materials confirmed the physical nature of the adsorption process, involving interactions such as hydrogen bonding, van der Waals forces, and π–π interactions. SEM analysis demonstrated that materials with larger pore sizes showed less efficient oil adsorption despite having high porosity, highlighting the importance of optimal pore size distribution for effective adsorption.
Fast In Situ Metal Deposition and Removal Under UV and Visible Light Using Polydopamine/TiO2 Composite Surface
Authors: Niu Yanfang , He Zhenzhu , Li Sen , Zeng Yi , Zhang Junning , Liu Keliang , Du Xin , Gu Zhongze
Published: September 2024

Metal nanoparticles (MNPs) stand out owing to conspicuous catalytic activity, optical and electromagnetic properties, with applications ranging from photocatalysis to biosensor and photoelectric devices. Although photocatalysis with TiO2 has emerged as a promising technique for preparing MNPs, the low photocatalytic efficiency of TiO2 limits its practical utilization. Herein, a rapid photoreduction approach is presented to prepare MNPs under UV and visible light based on polydopamine (PDA)/TiO2 composite surface. It found that the PDA‐modified TiO2 substrate can greatly enhance the photocatalytic efficiency and stability of MNPs, leading to rapid and highly‐controllable preparation of MNPs. By this method, various Ag, Au, and Pd patterns with controllable metallization degree can be easily fabricated. In addition, the substrate can be effectively recycled through rapid photobleaching. This method will have a promising future in the preparation of MNPs for various applications.
Evaluation of online teaching modules for PSMA PET interpretation
Authors: Oldan Jorge D. , Rowe Steven P. , Schroeder Jennifer A.
Published: September 2024

Purpose

The proliferation of US FDA‐approved prostate‐specific membrane antigen (PSMA)‐targeted positron emission tomography (PET) imaging agents as a means to evaluate prostate cancer patients, and the expanding knowledge of interpretive pitfalls, has led to the generation of multiple online training modules geared toward the reading of each individual agent, each taking different approaches to criteria for interpretation, which may contribute to the variability of reporting in clinical practice.

Materials and Methods

The websites of the marketers of each FDA‐approved agent [68Ga‐PSMA‐11 (Illuccix; Telix Pharmaceuticals), 68Ga‐PSMA‐11 (Locametz; Novartis Pharmaceuticals), 18F‐rh‐PSMA‐7.3 (Posluma; Blue Earth Diagnostics)], and the website of the Society of Nuclear Medicine and Molecular Imaging [18F‐DCFPyL (Pylarify)] were examined. All information pertaining to reader training, including videos, PDFs, and PowerPoint presentations, were reviewed.

Results

Videos from each module covered interpretive approach and pitfalls and ranged in length from a total of 20 min up to 315 min. Each module provided a different approach to PSMA PET scan findings, and on a different number and breadth of interpretive tips and pitfalls (a total of approximately 12–30 in all).

Conclusions

Each of the four PSMA PET reader training modules covered important interpretive pitfalls. The lengths of the video portions of each module varied considerably, suggesting variable investments in time necessary to complete each module. The differences in the modules could contribute to inconsistency among readers depending on which module(s) they may have completed and which radiotracer(s) they are using.
Enhancement of Mechanical Properties of NiCo Alloy Induced by Inhomogeneous Gradient of Solute Element Segregation
Authors: Liu Di , Zhang Wei , Guo Xin , Ren Junqiang , Xue Hongtao , Lu Xuefeng
Published: September 2024

Inhomogeneous gradient nanocrystals have better mechanical properties than uniform gradient nanocrystals. The segregation of solute elements in inhomogeneous gradient nanocrystals is expected to induce the re‐enhancement of mechanical properties of alloys. Herein, solute element segregation structures of inhomogeneous gradient structure nanocrystalline NiCo alloy are established, simulating tensile deformation via molecular dynamics. The results show that the segregation of solute elements in the inhomogeneous gradient structure of nanocrystals can improve the mechanical properties of the alloy, especially the structure of the intragranular segregation. The intragranular segregation of solute elements induces the decrease of grain boundary energy and greatly enhances the stability of grain boundaries. In addition, the segregation of solute elements within grains can hinder the dislocation movement to a certain extent, and the hindering effect on dislocation movement of stable grain boundaries induced by intragranular segregation of solute elements further enhances the mechanical properties of nanocrystalline alloys. This strategy of combining heterogeneous gradient structure and solute element segregation structure provides a positive and interesting perspective for the design of advanced alloys with excellent properties.
Time‐series‐based ensemble model output statistics for temperature forecasts postprocessing
Authors: Jobst David , Möller Annette , Groß Jürgen
Published: September 2024

The uncertainty in numerical weather prediction models is nowadays quantified by the use of ensemble forecasts. Although these forecasts are continuously improved, they still suffer from systematic bias and dispersion errors. Statistical postprocessing methods, such as the ensemble model output statistics (EMOS), have been shown to substantially correct the forecasts. This work proposes an extension of EMOS in a time‐series framework. Besides taking account of seasonality and trend in the location and scale parameter of the predictive distribution, the autoregressive process in the mean forecast errors or the standardized forecast errors is considered. The models can be further extended by allowing generalized autoregressive conditional heteroscedasticity. Furthermore, it is outlined how to use these models for arbitrary forecast horizons. To illustrate the performance of the suggested EMOS models in time‐series fashion, we present a case study for the postprocessing of 2 m surface temperature forecasts using five different lead times and a set of observation stations in Germany. The results indicate that the time‐series EMOS extensions are able to significantly outperform the benchmark models EMOS and autoregressive EMOS (AR‐EMOS) in most of the lead time–station cases.
Differentiated influences of anomalous subtropical high on extreme persistent precipitation and heatwave events in the Yangtze River Valley
Authors: Peng Yu , Wang Qian , Zhai Panmao
Published: September 2024

In the summers of 2020 and 2022, the Western Pacific Subtropical High (WPSH) intensified extremely and extended westward. However, in summer 2020, the Yangtze River Valley (YRV) witnessed record‐breaking floods, while in 2022, an unprecedented and prolonged heatwave occurred. Distinctly, these two extreme events were caused by different effects of the WPSH: one is enhancement of the transportation of water vapor and the other is adiabatic heating caused by the descending airflow. In June–July 2020, the stable extension of the WPSH ridge line to South China directed a southwesterly airflow along its northwest flank, leading to sustained precipitation in the YRV. Additionally, the midlatitude circulation pattern featured two troughs and two ridges. Such a circulation configuration, combined with the strong and westward WPSH, enabled the continuous southward intrusion of cold air and northward transport of warm moist air, converging over the YRV, and thus influenced extreme persistent precipitation. In contrast, the WPSH covered the YRV almost entirely during summer 2022. Under this influence, the clear‐sky condition and descending airflow through adiabatic warming directly resulted in the heatwave. In addition, local land–atmosphere feedback was crucial in its development and persistence. The soil moisture deficit induced by high temperatures increased the sensible heat flux between the soil and atmosphere upward, further enhanced the surface air temperature and strengthened the heat dry condition.
Dynamic predictive maintenance strategy for multi‐component system based on LSTM and hierarchical clustering
Authors: Yaqiong Lv , Pan Zheng , Yifan Li , Xian Wang
Published: September 2024

In recent years, there has been growing interest in employing predictive methods to forecast the remaining useful life of industrial equipment. However, the challenge lies in how to take advantage of the dynamic predictive information to facilitate the maintenance of decision‐making. This problem becomes particularly challenging for complex industrial systems consisting of multiple components with economic dependencies. This paper aims at providing an effective maintenance strategy for multi‐component systems based on predictive information, while considering economic dependencies among different system components. To this end, a dynamic predictive maintenance (PdM) strategy that minimizes the mean maintenance cost over a decision period is proposed, where both long‐term and short‐term policies are integrated into the decision‐making framework. Specifically, the long‐term policy is formulated using predictions derived from historical degradation data through a Long Short‐Term Memory (LSTM) model. Concurrently, real‐time monitoring data is employed to forecast imminent degradation in components, serving as a basis for determining the necessity of short‐term adjustments. This paper embeds the consideration of economic dependencies among components within the maintenance strategy design and employs hierarchical clustering to establish an effective and efficient maintenance grouping policy. The experimental results demonstrate that our proposed strategy significantly outperforms conventional approaches, including block‐based and age‐based maintenance, resulting in substantial cost savings. The proposed strategy is also compared with a similar version without grouping, and the results verify the added value of the optimal maintenance grouping policy in cost reduction. Moreover, a comprehensive analysis of the proposed method is provided, including the impact of different inspection costs and inspection intervals on maintenance decision‐making, which can provide insightful guidance to various PdM scenarios in practice.
Gender Differences in Melanoma Awareness, Diagnosis and Treatment: Patient-Reported Data from a Multicentre Survey in Switzerland
Authors: Mangana Johanna , Lamos Cristina , Özdemir Berna C. , Läubli Heinz , Morgan Linda , Maul Lara V. , König David , Dimitriou Florentia , Kaiser Sandra , Landolt Janine , Musiari Anastasia , Pasche Nadine , Siegenthaler Beat , Dummer Reinhard , Del Prete Valerio
Published: September 2024

There is a need to understand the journey of patients with melanoma, including any associated gender differences, to identify aspects in the patient journey that could be improved. We used data collected from an online survey completed by adults with stage III or IV melanoma at three Swiss melanoma centres to understand patients' perceptions of their healthcare journeys from melanoma diagnosis to treatment and the relevance of treatment attributes (Figure 1). We identified that there is a need to improve communication about the testing process and gender differences in terms on information needs, relevance of treatment attributes and attitudes towards psychological support.
Advanced Characterization of the Spatial Variation of Moiré Heterostructures and Moiré Excitons
Authors: de la Torre Alberto , Kennes Dante M. , Malic Ermin , Kar Swastik
Published: September 2024

In this short review, an overview of recent progress in deploying advanced characterization techniques is provided to understand the effects of spatial variation and inhomogeneities in moiré heterostructures over multiple length scales. Particular emphasis is placed on correlating the impact of twist angle misalignment, nano‐scale disorder, and atomic relaxation on the moiré potential and its collective excitations, particularly moiré excitons. Finally, future technological applications leveraging moiré excitons are discussed.
Harsh Environment‐Tolerant, High Performance Soft Pressure Sensors Enabled by Fiber‐Segment Structure and Plasma Treatment
Authors: Gao Junxue , Zhao Binzhe , Chen Xi , Gu Mengxi , Zhang Wenli , Wang Lei , Wei Lei , Yang Chunlei , Chen Ming
Published: September 2024

As the demand for specialized and diversified pressure sensors continues to increase, excellent performance and multi‐applicability have become necessary for pressure sensors. Currently, flexible pressure sensors are primarily utilized in fields such as health monitoring and human‐computer interaction. However, numerous complex extreme environments in reality, including deep sea, corrosive conditions, extreme cold, and high temperatures, urgently require the services of flexible devices. Here, a piezoresistive flexible pressure sensor based on expanded polytetrafluoroethylene/functionalized carbon nanotubes (EPTFE/FCNT) is proposed. Benefiting from the unique fiber‐segment architecture, chemical stability, and strong chemical binding force between EPTFE and FCNT, the fabricated sensor exhibits remarkable sensing capabilities and can be employed in multifarious extreme environments. It demonstrates a sensitivity of 862.28 kPa−1, a response time of 6–7 ms, and a detection limit below 1 Pa. Furthermore, it possesses a pressure resolution of 0.0018% under 111 kPa and can withstand over 10,000 loading and unloading cycles under 1 MPa. Additionally, the EPTFE/FCNT sensor retains its outstanding pressure response and work efficiency in extreme conditions such as an ultra‐low temperature of −80 °C, high temperature (200 °C), acidic and alkaline corrosion, and underwater. These notable attributes enormously broaden the sensors’ real‐world application range.
Quantum Sensing Unravels Antioxidant Efficacy Within PCL/Matrigel Skin Equivalents
Authors: Wu Xixi , Koch Marcus , Martínez Felipe P. Perona , Schirhagl Romana , Włodarczyk‐Biegun Małgorzata K.
Published: September 2024

Skin equivalents (SE) that recapitulate biological and mechanical characteristics of the native tissue are promising platforms for assessing cosmetics and studying fundamental biological processes. Methods to achieve SEs with well‐organized structure, and ideal biological and mechanical properties are limited. Here, the combination of melt electrowritten PCL scaffolds and cell‐laden Matrigel to fabricate SE is described. The PCL scaffold provides ideal structural and mechanical properties, preventing deformation of the model. The model consists of a top layer for seeding keratinocytes to mimic the epidermis, and a bottom layer of Matrigel‐based dermal compartment with fibroblasts. The compressive modulus and the biological properties after 3‐day coculture indicate a close resemblance with the native skin. Using the SE, a testing system to study the damage caused by UVA irradiation and evaluate antioxidant efficacy is established. The effectiveness of Tea polyphenols (TPs) and L‐ascorbic acid (Laa) is compared based on free radical generation. TPs are demonstrated to be more effective in downregulating free radical generation. Further, T1 relaxometry is used to detect the generation of free radicals at a single‐cell level, which allows tracking of the same cell before and after UVA treatment.
Structural Modification Effect of Se‐doped Porous Carbon for Hydrogen Evolution Coupled Selective Electrooxidation of Ethylene Glycol to Value‐added Glycolic Acid
Authors: Jang Daehee , Park Minseon , Maeng Junbeom , Ha Jungseub , Choi Sehun , Kim Nayeon , Seo Min Ho , Kim Won Bae
Published: September 2024

The ethylene glycol oxidation reaction (EGOR) has attracted attention because ethylene glycol (EG), which exhibits large‐scale production and a low market price, can be reformed into valuable glycolic acid (GCA) with the cogeneration of high‐purity hydrogen gas during the reaction. In this study, a noble catalyst material of Pt nanoparticles supported on Se‐doped porous carbon (Pt/SePC) is prepared and investigated for the selective electrochemical oxidation of EG to GCA. Pt/SePC achieved a maximum EG conversion of 94.6% and GCA selectivity of 84.4% and maintained this high performance with negligible degradation during durability tests. Furthermore, the EGOR required lower overpotential rather than the oxygen evolution reaction, thus the EGOR coupled with the hydrogen evolution reaction can reduce the cell overpotential to 0.60 V, which is much lower than that of water electrolysis (1.58 V). The effect of Se doping is investigated through experimental analyses and density functional theory (DFT) calculations, and they shows that Se modified the binding energy of Pt nanoparticles and the adsorption energy of reactants by lattice deformation and charge density modification. This study provides scientific insights and strategies for electrocatalyst design for the selective oxidation of polyols to value‐added chemicals via the cogeneration of hydrogen gas.
Plasma‐Constructed Co2P–Ni2P Heterointerface for Electro‑Upcycling of Polyethylene Terephthalate Plastic to Co‐Produce Hydrogen and Formate
Authors: Zhang Jingsen , Zhang Xiuling , Shi Chuan , Yu Xinyao , Zhou Yitong , Di Lanbo
Published: September 2024

Integrating electrochemical upcycling of polyethylene‐terephthalate (PET) and the hydrogen evolution reaction (HER) is an energy‐saving approach for electrolytic hydrogen (H2) production, along with the coproduction of formate. Herein, a novel and rapid strategy of cold plasma phosphating is employed to synthesize Co2P–Ni2P heterointerface decorated on carbon cloth (Co2P‐Ni2P/CC) to catalyze H2 generation and reform PET. Notably, the obtained Co2P–Ni2P/CC exhibits eminent ethylene glycol oxidation reaction (EGOR) and HER activities, effectuating low potentials of merely 1.300 and −0.112 V versus RHE at 100 mA cm−2 for the EGOR and HER, respectively, also attaining an ultralow cell bias of 1.300 V at 10 mA cm−2 for EG oxidation assisted‐water splitting. DFT and characterization results validate that the as‐formed built‐in electric fields in the Co2P–Ni2P heterointerface can accelerate electrons transfer and deepen structural self‐reconstruction, thereby boosting effectively water dissociation and ethylene glycol (EG) dehydrogenation. Impressively, coupling HER with PET‐derived EG‐to‐formate in a flow‐cell electrolyzer assembled with Co2P‐Ni2P/CC pair achieves an intriguing formate Faradaic efficiency of 90.6% and an extraordinary stable operation of over 70 h at 100 mA cm−2. The work exemplifies a facile and effective strategy for synthesizing metal phosphides electrocatalysts with extraordinary performance toward H2 generation of water splitting and recycling of PET.
In situ Synchrotron X‐ray Metrology Boosted by Automated Data Analysis for Real‐time Monitoring of Cathode Calcination
Authors: Dongol Ruhil , Mukherjee Arpan , Bai Jianming , van Dam Hubertus J. J. , Carbone Matthew R. , Abell E. Frits , Zhong Hui , Tayal Akhil , Ma Lu , Kahvecioglu Ozgenur , Pupek Krzysztof Z. , Lu Deyu , Rajan Krishna , Wang Feng
Published: September 2024

Synchrotron X‐ray‐based in situ metrology is advantageous for monitoring the synthesis of battery materials, offering high throughput, high spatial and temporal resolution, and chemical sensitivity. However, the rapid generation of massive data poses a challenge to on‐site, on‐the‐fly analysis needed for real‐time process monitoring. Here, a weighted lagged cross‐correlation (WLCC) similarity approach is presented for automated data analysis, which merges with in situ synchrotron X‐ray diffraction metrology to monitor the calcination process of the archetypal nickel‐based cathode, LiNiO2. The WLCC approach, incorporating variables that account for peak shifts and width changes associated with structural transformations, enables rapid extraction of phase progression within 10 seconds from tens of diffraction patterns. Details are captured, from initial precursors to intermediates and the final layered LiNiO2, providing information for agile on‐site adjustments during experiments and complementing post hoc diffraction analysis by offering insights into early‐stage phase nucleation and growth. Expanding this data‐powered platform paves the way for real time calcination process monitoring and control, which is pivotal to quality control in battery cathode manufacturing.
Chirality Detection in Scanning Tunneling Microscopy Data Using Artificial Intelligence
Authors: Seifert Tim J. , Stritzke Mandy , Kasten Peer , Möller Björn , Fingscheidt Tim , Etzkorn Markus , de Wolff Timo , Schlickum Uta
Published: September 2024

Enantiospecific effects play an uprising role in chemistry and technical applications. Chiral molecular networks formed by self‐assembly processes at surfaces can be imaged by scanning probe microscopy (SPM). Low contrast and high noise in the topography map often interfere with the automatic image analysis using classical methods. The long SPM image acquisition times restrain Artificial Intelligence‐based methods requiring large training sets, leaving only tedious manual work, inducing human‐dependent errors and biased labeling. By generating realistic looking synthetic images, the acquisition of real datasets is avoided. Two state‐of‐the‐art object detection architectures are trained to localize and classify chiral unit‐cells in a regular molecular chiral network formed by self‐assembly of linear molecular bricks. The comparison of different architectures and datasets demonstrates that the training on purely synthetic data outperforms models trained using augmented datasets. A Faster R‐CNN model trained solely on synthetic data achieved an excellent mean average precision of 99% on real data. Hence this approach and the transfer to real data show high success, also highlighting the high robustness against experimental noise and different zoom levels across the full experimentally reasonable parameter range. The generalizability of this idea is demonstrated by achieving equally high performance on a different structure, too.
New Morphology Modifier Enables the Preparation of Ultra‐Long Platinum Nanowires Excluding Mo Component for Efficient Oxygen Reduction Reaction Performance
Authors: Hu Zhiwei , Yang Jiajia , Tang Lei , Jiang Haibo , Zhu Yihua , Li Ruijiu , Liu Cui , Shen Jianhua
Published: September 2024

The structural tailoring of Pt‐based catalysts into 1D nanowires for oxygen reduction reactions (ORR) has been a focus of research. Mo(CO)6 is commonly used as a morphological modifier to form nanowires, but it is found that it inevitably leads to Mo doping. This doping introduces unique electrochemical signals not seen in other Pt‐based catalysts, which can directly reflect the stability of the catalyst. Through experiments, it is demonstrated that Mo doping is detrimental to ORR performance, and theoretical calculations have shown that Mo sites that are inherently inactive also poison the ORR activity of the surrounding Pt. Therefore, a novel gas‐assisted technique is proposed to replace Mo(CO)6 with CO, which forms ultrafine nanowires with an order of magnitude increase in length, ruling out the effect of Mo. The catalyst performs at 1.24 A mgPt−1, 7.45 times greater than Pt/C, demonstrating significant ORR mass activity, and a substantial improvement in stability. The proton exchange membrane fuel cell using this catalyst provides a higher power density (0.7 W cm−2). This study presents a new method for the preparation of ultra‐long nanowires, which opens up new avenues for future practical applications of low‐Pt catalysts in PEMFC.
A vector‐valued ground motion intensity measure for base‐isolated buildings in far‐field regions
Authors: Güneş Necmettin
Published: September 2024

In this study, the effects of the spectral acceleration at the superstructure first‐mode period on the isolator displacement are investigated for far‐field ground motions. For this purpose, two different base‐isolated models are subjected to 165 far‐field ground motions. It is demonstrated that considering the spectral acceleration at the superstructure first‐mode period, besides that at the effective period, improves the estimation accuracy of isolator displacement. ASCE 7‐22 modifies the scaling period range to consider the superstructure first mode period and proposes the new period range from the superstructure first‐mode period to the 1.25 times effective period. In the ASCE 7‐22, the same weight factor is used for the whole period range. However, the present study shows that adding the superstructure first‐mode related period range with appropriate weight factor to the effective period‐based scaling range decreases the dispersion of isolator displacement in the nonlinear response history analyses (NRH). Then, to overcome the spectral shape effects on the fragility curves, a vector‐valued intensity measure parameter is obtained by combining spectral acceleration at the effective period and reduced spectral acceleration at the superstructure first‐mode period. The optimum contribution factor for the spectral acceleration at the superstructure first‐mode period is defined as the ratio of the superstructure first‐mode period to the effective period. The article shows that the proposed parameter is efficient and sufficient to be used as an intensity measure for far‐field ground motions. Furthermore, regression analysis results indicate that this vector‐valued intensity measure parameter correlates well with the isolator displacement. Further, the article shows that using the proposed IM parameter in the fragility curves makes the collapse margin ratio of these curves less sensitive to the spectral shape of the selected ground motions.
In Utero and Lactational Exposure to an Environmentally Relevant Mixture of Phthalates Alters Hypothalamic Gene Expression and Sexual Preference in Rats
Authors: Curi Tatiana Zauer , Passoni Marcella Tapias , Tolouei Sara Emilia Lima , de Araújo Ramos Anderson Tadeu , de Almeida Samara Christina França , Romano Renata Marino , de Oliveira Jeane Maria , Dalsenter Paulo Roberto , Martino‐Andrade Anderson Joel
Published: September 2024

Several phthalates, mainly used as plasticizers, are known for their adverse effects on the male genital system. Previously, we demonstrated that an environmentally relevant mixture of six antiandrogenic phthalates (PMix), derived from a biomonitoring study in pregnant Brazilian women, was able to disrupt the reproductive development in male rats. Experimental groups (control, 0.1, 0.5, and 500 mg PMix/kg/day) were established starting from the extrapolated human dose (0.1 mg/kg/day), followed by doses 5 times and 5000 times higher. Pregnant rats received daily oral gavage administration of either vehicle (control) or PMix from gestational day 13 to postnatal day 10. Here, we examined male and female offspring regarding changes in gene expression of key reproductive factors in the hypothalamus and pituitary gland at adulthood and conducted a battery of behavioral tests in males, including partner preference, sexual behavior, and male attractiveness tests. PMix induced some changes in mating‐related behavior in males, as demonstrated by the absence of preference for females against males and a higher number of penetrations up to ejaculation in the 0.5 dose group. PMix decreased Esr2 expression in the male hypothalamus across all three doses, and in females at mid and high doses in both the hypothalamus and pituitary. In male hypothalamus, we also observed decreased Kiss1 transcripts in these groups and a reduction in AR at the 0.5 dose group. In summary, our results provide further evidence that phthalates in a mixture, even at low doses, may exert cumulative effects on the structures underlying sexual behavior, which seems to be more sensitive than reproductive endpoints for the same experimental design.
Evaluating Health Risks Associated With Fluoride and Nitrate Contaminants in Drinking Water to Residents Living in the Chikkaballapur Taluk of Karnataka, India
Authors: Krishnappa Sridhara Malur , Channabasavaiah Sadashivaiah , Hanche Devendra , Ananda Kiran Dasalukunte , Muthanarasimha Aparna Puradahalli
Published: September 2024

Addressing fluoride and nitrate contamination in groundwater is crucial for safeguarding public health. Fluoride contamination in groundwater can cause dental and skeletal fluorosis, along with potential neurotoxic effects. Nitrate contamination can lead to methemoglobinemia in infants and increase cancer risk due to the formation of nitrosamines. The major goal of this study was to examine groundwater quality in the Chickkaballapur urban (CBU) and Chikkaballapur rural (CBR) parts of the Chikkaballapur taluk (CBT), Karnataka, and to investigate the potential health hazards associated with the presence of fluoride and nitrate contaminants. Hazard quotient and total hazard index (THI) calculation methods, as suggested by the United States Environmental Protection Agency, were used in the present study to evaluate non‐carcinogenic risks for individuals of various age categories, including men, women, and children (MWC). A total of 112 samples from rural areas and 41 samples from urban areas of Chikkaballapur taluk were collected during the post‐monsoon season. According to the study's findings, groundwater samples from CBU and CBR surpassed acceptable fluoride concentration limits by 41% and 40%, respectively, while samples from CBR exceeded acceptable nitrate limits by 17%, set by the Bureau of Indian Standards (1 mg/L for fluoride and 45 mg/L for nitrate). All CBU samples remained within the acceptable nitrate limits. The total non‐carcinogenic health risks for MWC ranged from 0.34 to 2.18, 0.40 to 2.58, and 0.46 to 2.95, respectively, for CBU, and from 0.16 to 6.51, 0.19 to 7.69, and 0.21 to 8.80, respectively, for CBR. Furthermore, a significant percentage of the groundwater samples that were collected in CBU (60.98%, 68.29%, and 75.61%) and CBR (48.21%, 62.50%, and 73.21%) exceeded the THI limit for MWC (THI = 1). Hence, based on the health risk assessment, it is evident that children in the study area have greater health risks than men and women.
A Multivariate Investigation of Groundwater Chemistry Data in Barak River Valley, South Assam, India
Authors: Barhai Akan , Das Suchismita
Published: September 2024

The present study investigated seven physico‐chemical parameters (depth, pH, chloride, and hardness) and trace elements (arsenic [As], copper [Cu], and iron [Fe]) in the shallow aquifers of Barak River valley in Assam, India. All the physico‐chemical parameters were within the guideline value except pH; approximately 37.5% of the samples were below the guideline value (6.5–8.5). As ranged from 0 to 270 µg/L, Fe ranged from 1.43 to 61.03 mg/L, and Cu concentration ranged from 0 to 0.25 mg/L. All the samples for Fe, 83.33% for Cu and 70.84% for As were above the guideline value as prescribed by WHO or BIS. Further, the data were subjected to multivariate statistical analysis (MSA), including principal component analysis (PCA) and cluster analysis (CA), to investigate pollution sources. PCA identified three components, accounting for 72.42% of the total variance. The R‐mode CA identified two clusters, while the Q‐mode identified six clusters. The MSA results signified that human activities were more responsible than natural or geogenic processes for the deterioration of groundwater quality in the study area.
Macrophytes as Bioindicators of Heavy Metal Pollution in Belarusian Rivers
Authors: Zhukovskaya Natalia V. , Kavalchyk Nadzeya V. , Vlasov Boris P.
Published: September 2024

Macrophytes are well‐known for accumulating a large number of various substances, including metals, and they may consequently serve as biogeochemical indicators of aquatic system pollution. In general, the sequence of analyzed metal accumulation in river macrophytes is as follows (mg/kg): Mn (141) > Cu (2.53) > V (0.89) > Cr (0.70) > Pb (0.68) > Ni (0.23). Submersed species are conspicuous for their increased metal accumulation capacity, with statistically significant differences compared to other ecological groups. Among the aquatic plant genera examined (Potamogéton, Ceratophýllum, Elodea, Núphar, Butomus, Glycéria, and Spargánium), an increased capacity to accumulate Mn, Cu, and Pb is observed in all submersed macrophytes, while Cr, V, and Ni are particularly accumulated by Ceratophýllum and Elodea. Potamogéton has the largest range of V, Cr, Mn, Ni, and Cu variations. The overall bioaccumulation capability evaluated by the metal accumulation index was ordered as follows: Núphar (6.94) > Potamogéton (5.53) > Butomus (3.48) > Glycéria (2.86) > Spargánium (2.62) > Elodea (2.33) > Ceratophýllum (1.98). Bio‐accumulation factors (BAFs) (macrophytes/sediment) vary depending on the metal and macrophyte ecological groups. For submersed macrophytes, the sequence of BAFs is Mn > Cu > Ni > Pb > Cr > V. In the submersed plants of watercourses taken at the anthropogenic impact sites, the accumulation of Ni, V, Mn, Pb, and Cu is statistically significantly higher compared to those in natural conditions. Compositional data analysis has revealed such biogeochemical signatures of the anthropogenic impact as the formation of the anthropogenic Cr–Ni association, which is associated with the identified multivariate anomalies, as well as an increase in Cu variability and a decrease in Mn.
Die gesprächsanalytische Sicht auf Lehr-Lernpolyloge
Authors: Tanner Iris
Published: September 2024

In diesem Kapitel werden weitere Theoriekonzepte und Begrifflichkeiten vorgestellt, welche grundlegend sind für die Analyse von Gesprächen und deshalb nicht nur in den Sprachwissenschaften, sondern auch in den Sozialwissenschaften grosse Beachtung gefunden haben. Es wird zuerst um die Sprechakttheorie und die Konversations- bzw. Gesprächsanalyse (vgl. Kapitel 4.1 und Kapitel 4.2) gehen, welche Teilgebiete der linguistischen Pragmatik sind, die selbst als Lehre vom Sprachhandeln bezeichnet werden kann, denn eine «Äusserung von sich geben» ist immer auch eine (soziale und konstitutive) Handlung. Zum Schluss dieses Kapitels geht es um die hierarchische Struktur der Lehr-Lerngespräche und um das Positioning (vgl. Kapitel 4.3). Mit dem Positionieren der Lernenden als Urheber und Urheberinnen ihrer Problemlösevorgänge soll ein tiefergehendes und nachhaltiges Lernen ermöglicht werden (Greeno, 2006).
Genotypic and phenotypic characterisation of asymptomatic bacteriuria (ABU) isolates displaying bacterial interference against multi-drug resistant uropathogenic E. Coli
Authors: Kenneally Ciara , Murphy Craig P. , Sleator Roy D. , Culligan Eamonn P.
Published: September 2024

Escherichia coli can colonise the urogenital tract of individuals without causing symptoms of infection, in a condition referred to as asymptomatic bacteriuria (ABU). ABU isolates can protect the host against symptomatic urinary tract infections (UTIs) by bacterial interference against uropathogenic E. coli (UPEC). The aim of this study was to investigate the genotypic and phenotypic characteristics of five ABU isolates from midstream urine samples of adults. Comparative genomic and phenotypic analysis was conducted including an antibiotic resistance profile, pangenome analysis, and a putative virulence profile. Based on the genome analysis, the isolates consisted of one from phylogroup A, three from phylogroup B2, and one from phylogroup D. Two of the isolates, PUTS 58 and SK-106-1, were noted for their lack of antibiotic resistance and virulence genes compared to the prototypic ABU strain E. coli 83,972. This study provides insights into the genotypic and phenotypic profiles of uncharacterised ABU isolates, and how relevant fitness and virulence traits can impact their potential suitability for therapeutic bacterial interference.