bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation and mitigation of cognitive biases in medical language models
Authors: Schmidgall Samuel , Harris Carl , Essien Ime , Olshvang Daniel , Rahman Tawsifur , Kim Ji Woong , Ziaei Rojin , Eshraghian Jason , Abadir Peter , Chellappa Rama
Published: October 2024

Increasing interest in applying large language models (LLMs) to medicine is due in part to their impressive performance on medical exam questions. However, these exams do not capture the complexity of real patient–doctor interactions because of factors like patient compliance, experience, and cognitive bias. We hypothesized that LLMs would produce less accurate responses when faced with clinically biased questions as compared to unbiased ones. To test this, we developed the BiasMedQA dataset, which consists of 1273 USMLE questions modified to replicate common clinically relevant cognitive biases. We assessed six LLMs on BiasMedQA and found that GPT-4 stood out for its resilience to bias, in contrast to Llama 2 70B-chat and PMC Llama 13B, which showed large drops in performance. Additionally, we introduced three bias mitigation strategies, which improved but did not fully restore accuracy. Our findings highlight the need to improve LLMs’ robustness to cognitive biases, in order to achieve more reliable applications of LLMs in healthcare.
Crystal structure of the 4-hydroxybutyryl-CoA synthetase (ADP-forming) from nitrosopumilus maritimus
Authors: Johnson Jerome , Tolar Bradley B. , Tosun Bilge , Yoshikuni Yasuo , Francis Christopher A. , Wakatsuki Soichi , DeMirci Hasan
Published: October 2024

The 3-hydroxypropionate/4-hydroxybutyrate (3HP/4HB) cycle from ammonia-oxidizing Thaumarchaeota is currently considered the most energy-efficient aerobic carbon fixation pathway. The Nitrosopumilus maritimus 4-hydroxybutyryl-CoA synthetase (ADP-forming; Nmar_0206) represents one of several enzymes from this cycle that exhibit increased efficiency over crenarchaeal counterparts. This enzyme reduces energy requirements on the cell, reflecting thaumarchaeal success in adapting to low-nutrient environments. Here we show the structure of Nmar_0206 from Nitrosopumilus maritimus SCM1, which reveals a highly conserved interdomain linker loop between the CoA-binding and ATP-grasp domains. Phylogenetic analysis suggests the widespread prevalence of this loop and highlights both its underrepresentation within the PDB and structural importance within the (ATP-forming) acyl-CoA synthetase (ACD) superfamily. This linker is shown to have a possible influence on conserved interface interactions between domains, thereby influencing homodimer stability. These results provide a structural basis for the energy efficiency of this key enzyme in the modified 3HP/4HB cycle of Thaumarchaeota.
Ca3[C2O5]2[CO3] is a pyrocarbonate which can be formed at p, T-conditions prevalent in the Earth’s transition zone
Authors: Spahr Dominik , Bayarjargal Lkhamsuren , Bykov Maxim , Brüning Lukas , Jurzick Pascal L. , Wang Yu , Milman Victor , Refson Keith , Mezouar Mohamed , Winkler Björn
Published: October 2024

Understanding the fate of subducted carbonates is a prerequisite for the elucidation of the Earth’s deep carbon cycle. Here we show that the concomitant presence of Ca[CO3] with CO2 in a subducting slab very likely results in the formation of an anhydrous mixed pyrocarbonate, $${{{{\rm{Ca}}}}}_{3}{\left[{{{{\rm{C}}}}}_{2}{{{{\rm{O}}}}}_{5}\right]}_{2}\left[{{{{\rm{CO}}}}}_{3}\right]$$

Ca

3

C

2

O

5

2

CO

3

, at moderate pressure ( ≈ 20 GPa) and temperature ( ≈ 1500 K) conditions. We show that at these conditions $${{{{\rm{Ca}}}}}_{3}{\left[{{{{\rm{C}}}}}_{2}{{{{\rm{O}}}}}_{5}\right]}_{2}\left[{{{{\rm{CO}}}}}_{3}\right]$$

Ca

3

C

2

O

5

2

CO

3

can be obtained by reacting Ca[CO3] with CO2 in a laser-heated diamond anvil cell. The crystal structure was obtained from synchrotron-based single crystal X-ray diffraction data. Density Functional Perturbation Theory calculations in combination with experimental Raman spectroscopy results unambiguously confirmed the structural model. The crystal structure of $${{{{\rm{Ca}}}}}_{3}{\left[{{{{\rm{C}}}}}_{2}{{{{\rm{O}}}}}_{5}\right]}_{2}\left[{{{{\rm{CO}}}}}_{3}\right]$$

Ca

3

C

2

O

5

2

CO

3

is characterized by the presence of $${\left[{{{{\rm{CO}}}}}_{3}\right]}^{2-}$$

CO

3

2
−

- and $${\left[{{{{\rm{C}}}}}_{2}{{{{\rm{O}}}}}_{5}\right]}^{2-}$$

C

2

O

5

2
−

-groups. The results presented here imply that the formation of $${{{{\rm{Ca}}}}}_{3}{\left[{{{{\rm{C}}}}}_{2}{{{{\rm{O}}}}}_{5}\right]}_{2}\left[{{{{\rm{CO}}}}}_{3}\right]$$

Ca

3

C

2

O

5

2

CO

3

needs to be taken into account when constructing models of the deep carbon cycle of the Earth.
Relativistic treatment of hole alignment in noble gas atoms
Authors: Tahouri Rezvan , Papoulia Asimina , Carlström Stefanos , Zapata Felipe , Dahlström Jan Marcus
Published: October 2024

The development in attosecond physics allows for unprecedented control of atoms and molecules in the time domain. Here, ultrashort pulses are used to prepare atomic ions in specific magnetic states, which may be important for controlling charge migration in molecules. Our work fills the knowledge gap of relativistic hole alignment prepared by femtosecond and attosecond pulses. The research focuses on optimizing the central frequency and duration of pulses to exploit specific spectral features, such as Fano profiles, Cooper minima, and giant resonances. Simulations are performed using the Relativistic Time-Dependent Configuration-Interaction Singles method. Ultrafast hole alignment with large ratios (on the order of one hundred) is observed in the outer-shell hole of argon. An even larger alignment (on the order of one thousand) is observed in the inner-shell hole of xenon.
Large igneous provinces played a major role in oceanic oxygenation events during the mid-Proterozoic
Authors: Luo Anbo , Sun Guangyi , Grasby Stephen E. , Yin Runsheng
Published: October 2024

Low atmospheric oxygen levels during the mid-Proterozoic were occasionally interrupted by transient high oxygen levels. The cause of mid-Proterozoic ocean redox variability remains unclear. Here we investigate mercury chemostratigraphy across the Jixian section of North China Craton through two oxygenation intervals. Abnormal spikes in mercury concentration and excursions of mercury isotopes are observed in the Dahongyu and Hongshuizhuang formations, which occur just below the two oxygenation intervals, respectively. These mercury anomalies suggest that the two oxygenation events were preceded by subaerial volcanism. Furthermore, the two oxygenation intervals show increased nutrient concentrations and negative shifts in mercury isotopes, indicating that enhanced weathering and terrestrial nutrient influx occurred during oxygenation intervals. We infer that in the breakup setting of the Columbia supercontinent, large igneous province volcanism and its efficient low-latitude weathering could rapidly increase terrestrial nutrient influx into the ocean, promoting oceanic productivity and a pulsed rise in oxygen levels.
High-resolution modeling and projection of heat-related mortality in Germany under climate change
Authors: Wang Junyu , Nikolaou Nikolaos , an der Heiden Matthias , Irrgang Christopher
Published: October 2024

Background

Heat has become a leading cause of preventable deaths during summer. Understanding the link between high temperatures and excess mortality is crucial for designing effective prevention and adaptation plans. Yet, data analyses are challenging due to often fragmented data archives over different agglomeration levels.

Method

Using Germany as a case study, we develop a multi-scale machine learning model to estimate heat-related mortality with variable temporal and spatial resolution. This approach allows us to estimate heat-related mortality at different scales, such as regional heat risk during a specific heatwave, annual and nationwide heat risk, or future heat risk under climate change scenarios.

Results

We estimate a total of 48,000 heat-related deaths in Germany during the last decade (2014–2023), and the majority of heat-related deaths occur during specific heatwave events. Aggregating our results over larger regions, we reach good agreement with previously published reports from Robert Koch Institute (RKI). In 2023, the heatwave of July 7–14 contributes approximately 1100 cases (28%) to a total of approximately 3900 heat-related deaths for the whole year. Combining our model with shared socio-economic pathways (SSPs) of future climate change provides evidence that heat-related mortality in Germany could further increase by a factor of 2.5 (SSP245) to 9 (SSP370) without adaptation to extreme heat under static sociodemographic developments assumptions.

Conclusions

Our approach is a valuable tool for climate-driven public health strategies, aiding in the identification of local risks during heatwaves and long-term resilience planning.
Targeting the transcription factor YY1 is synthetic lethal with loss of the histone demethylase KDM5C
Authors: Zheng Qian , Li Pengfei , Qiang Yulong , Fan Jiachen , Xing Yuzhu , Zhang Ying , Yang Fan , Li Feng , Xiong Jie
Published: October 2024

An understanding of the enzymatic and scaffolding functions of epigenetic modifiers is important for the development of epigenetic therapies for cancer. The H3K4me2/3 histone demethylase KDM5C has been shown to regulate transcription. The diverse roles of KDM5C are likely determined by its interacting partners, which are still largely unknown. In this study, we screen for KDM5C-binding proteins and show that YY1 interacts with KDM5C. A synergistic antitumor effect is exerted when both KDM5C and YY1 are depleted, and targeting YY1 appears to be a vulnerability in KDM5C-deficient cancer cells. Mechanistically, KDM5C promotes global YY1 chromatin recruitment, especially at promoters. Moreover, an intact KDM5C JmjC domain but not KDM5C histone demethylase activity is required for KDM5C-mediated YY1 chromatin binding. Transcriptional profiling reveals that dual inhibition of KDM5C and YY1 increases transcriptional repression of cell cycle- and apoptosis-related genes. In summary, our work demonstrates a synthetic lethal interaction between YY1 and KDM5C and suggests combination therapies for cancer treatments.
Induced degradation of SNAP-fusion proteins
Authors: Pol Savina Abraham , Liljenberg Sara , Barr Jack , Simon Gina , Wong-Dilworth Luis , Paterson Danielle L. , Berishvili Vladimir P. , Bottanelli Francesca , Kaschani Farnusch , Kaiser Markus , Pettersson Mariell , Hellerschmied Doris
Published: October 2024

Extending the applications of the SNAP-tag: VHL- and CRBN-recruiting SNAP-PROTACs provide a ready-to-use targeted protein degradation system for SNAP-fusion proteins.
Conformation matters: siRNAs with antisense strands with 5′-(E)-vinyl-phosphonate-α-l-LNA elicit stronger RNAi-mediated gene silencing than those with 5′-(E)-vinyl-phosphonate-LNA
Authors: Datta Dhrubajyoti , Kumar Pawan , Mandal Soham , Krampert Monika , Egli Martin , Hrdlicka Patrick J. , Manoharan Muthiah
Published: October 2024

RNAi-mediated gene silencing is more efficient when the antisense strand of the siRNA is modified at 5′ end with a 5′-vinyl-phosphonate carrying nucleotide that adopts a C3′-exo (south) conformation than a C3′-endo (north) pucker.
Catalyst-free ring opening of azlactones in water microdroplets
Authors: Naveen Kumar , Rawat Vishesh Singh , Verma Rahul , Gnanamani Elumalai
Published: October 2024

A catalyst-free method was developed for the ring opening of azlactones (also known as oxazolones) in water microdroplets.
Wireless single-electrode electrochemiluminescence device based on wireless reverse charging or on-the-go USB transmission for multiplex analysis
Authors: Meng Chengda , Snizhko Dmytro Viktorovych , Zholudov Yuriy Tymofiiovych , Zhang Wei , Guan Yiran , Tian Yu , Xu Guobao
Published: October 2024

A wireless electrochemiluminescence device employing the wireless reverse charging function or on-the-go (OTG) USB transmission function of smartphones is developed for wireless multiplex analysis using a smartphone as detector for the first time.
Recent advances in novel chiral macrocyclic arenes
Authors: Du Cheng-Bin , Long Yu-Jie , Han Xiao-Ni , Han Ying , Chen Chuan-Feng
Published: October 2024

This feature article systematically summarized the construction, properties and applications of novel chiral macrocyclic arenes that have emerged in the last decade.
Thermoelectric and photosensitive characteristics of Bridgman grown CuxSb1−xSe2 (x = 0.2, 0.4, 0.6, 0.8) crystals with different Cu/Sb ratios
Authors: Parekh Zubin R. , Deshpande M. P. , Bhatt Sandip V. , Kannaujiya Rohitkumar M. , Pandya Swati J. , Chaki S. H.
Published: October 2024

This study marks the first report on the growth of CuxSb1−xSe2 (x = 0.2, 0.4, 0.6, 0.8) crystals using Bridgman technique. Results shows that these crystals can be considered as a choice for thermoelectric as well as photodetection applications.
Sensitivity analysis of aromatic chemistry to gas-phase kinetics in a dark molecular cloud model
Authors: Byrne Alex N. , Xue Ci , Van Voorhis Troy , McGuire Brett A.
Published: October 2024

Two sensitivity analysis techniques are applied to rate coefficients in a kinetic model of a dark molecular cloud, revealing that aromatic species such as cyanonaphthalene are sensitive to early hydrocarbon growth and ring-formation mechanisms.
Hole-states in Li doped NiO: doping dependence of Zhang-Rice spectral weight
Authors: Mandal Suman , Menon Krishnakumar S. R.
Published: October 2024

The structural and spectroscopic evolution of Li-doped NiO, along with the behavior of doped hole states, are investigated using XRD and XAS.
Chemical and spectroscopic characterization of plutonium tetrafluoride
Authors: Kinyon Jared S. , Villa-Aleman Eliel , Ciprian Elodia , Hixon Amy E. , Foley Bryan J. , Christian Jonathan H. , Darvin Jason R. , Dick Don D. , Casella Amanda J. , Sweet Lucas E. , Buck Edgar C. , Heller Forrest D. , Nicholas Aaron D. , Nizinski Cody A. , Clark Richard A.
Published: October 2024

Fundamental vibrational and electronic properties of plutonium tetrafluoride are explored with multiple techniques such as infrared, diffuse reflectance and Raman.
Low temperature growth of sub 10 nm particles by ammonium nitrate condensation
Authors: Donahue Neil M. , Xiao Mao , Marten Ruby , Wang Mingyi , Kong Weimeng , Schervish Meredith , Ye Qing , Hofbauer Victoria , Dada Lubna , Duplissy Jonathan , Finkenzeller Henning , Gordon Hamish , Kirkby Jasper , Lamkaddam Houssni , Makhmutov Vladimir , Philippov Maxim , Rörup Birte , Volkamer Rainer , Wang Dongyu , Weber Stefan K. , Flagan Richard C. , Stolzenburg Dominik , El Hadad Imad
Published: October 2024

Ammonium nitrate will condense to tiny particles under sub-zero conditions, activating well below 10 nm.
Europium and calcium-co-doped TiO2 nanocrystals: tuning the biocompatibility and luminescence traceability of Drosophila melanogaster
Authors: de Oliveira Jerusa Maria , de Almeida Larissa Iolanda M. , Rubens Alves dos Santos Francisco , Carvalho João Paulo S. de , dos S. Barbosa Amanda I. , Costa Marcus Andrei R. F. da , Maciel Vanessa Tomaz , Souza Gabriela L. de , Magalhães Alysson N. , Vermelho Marcos V. , Moura Camilla Christian G. , Berti Valer Felipe , Rocha Thiago Lopes , Silva Sebastião William da , Anhezini Lucas , Silva Anielle Christine A.
Published: October 2024

Doping TiO2 with Eu and Ca improves structural stability, luminescence, and biocompatibility, enhancing efficiency and safety, essential factors for sustainable innovations in biomedical applications.
Simultaneous removal of acetaminophen, sulfamethoxazole, and iohexol from real wastewater in continuous mode by an immobilized sulfur-doped Bi2O3/MnO2 photocatalyst
Authors: Parida Vishal Kumar , Lincy Gnanaguru Mario Vino , Srivastava Suneel Kumar , Chowdhury Shamik , Gupta Ashok Kumar
Published: October 2024

The photocatalytic potential of the Z-scheme 2S-Bi2O3/MnO2 immobilized photocatalyst for the simultaneous degradation of ACT, SMX, and IOX from MBBR-sand filter treated wastewater is studied for the first time, purely from a practical perspective.
Microencapsulation of broccoli sulforaphane using whey and pea protein: in vitro dynamic gastrointestinal digestion and intestinal absorption by Caco-2-HT29-MTX-E12 cells
Authors: Ali Redha Ali , Torquati Luciana , Bows John R. , Gidley Michael J. , Cozzolino Daniel
Published: October 2024

Sulforaphane-rich extract was prepared from broccoli. The extract was encapsulated with whey and pea protein isolates by freeze-drying. The products were characterised and assessed for in vitro bioaccessibility and bioavailability.
Zonal patterning of extracellular matrix and stromal cell populations along a perfusable cellular microchannel
Authors: Chernokal Brea , Ferrick Bryan J. , Gleghorn Jason P.
Published: October 2024

Developed a system to regionally pattern stromal cell populations and hydrogel properties along the length of a perfused epithelial tube. This enables the dissection of specific microenvironmental factors that govern developmental tissue patterning.
Exploring the potential of waste biomass of olive as an additive for layered double hydroxide/polyurethane as an effective and safe agent for the adsorption of drug residues: a bioremediation approach
Authors: Abdelazeem Rania , Kamal W. , Eldin Zienab E. , Roshdy Mahmoud Abdelrazek , Allam Ahmed A. , Saeed Sara , Tawab Doaa Abdel , Othman Sarah I. , Allah Abeer Enaiet , Radalla Abdelatty M. , Mahmoud Rehab
Published: October 2024

O-Pom-LDH-PU composite demonstrates high efficiency in cefotaxime adsorption, showing low cytotoxicity, and strong antibacterial activity, presenting a cost-effective, green solution for wastewater treatment, and promising green chemistry potential.
Synthesis of cationic N-acylated thiazolidine for selective activity against Gram-positive bacteria and evaluation of N-acylation's role in membrane-disrupting activity
Authors: Pious Aleena , Venkatasubramanian Vignesh , Singaravelu Dharshini Karnan , Ramesh Subburethinam , Ameen Fuad , Veerappan Anbazhagan
Published: October 2024

Lipidation modulates the Gram-selective antibacterial activity of QPyNATh.
Wireframe DNA origami nanostructure with the controlled opening of edges
Authors: Mogheiseh Maryam , Ghasemi Reza Hasanzadeh
Published: October 2024

Design and simulation of wireframe DNA origami nanostructures with fast and controlled opening capability using modified DAEDALUS code.
State-of-the-art strategies for Lewis acid-catalyzed strain-release cycloadditions of bicyclo[1.1.0]butanes (BCBs)
Authors: Liu Xiang , He Jiawei , Lin Keyu , Wang Xingyue , Cao Hua
Published: October 2024

This review primarily focuses on the latest developments in Lewis acid-catalyzed strain-release cycloaddition reactions of BCBs.
A machine learning-assisted study of the formation of oxygen vacancies in anatase titanium dioxide
Authors: Wang Dan , Zan Ronghua , Zhu Xiaorong , Zhang Yuwei , Wang Yu , Gu Yanhui , Li Yafei
Published: October 2024

A combination of DFT and machine learning is adopted to probe the surface oxygen vacancy formation on titanium dioxide, which provides a fast and effective strategy for predicting the oxygen vacancy formation energy.
To click or not to click for short pulse-labeling of the bacterial cell wall
Authors: Baudoin Morgane , Chouquet Anne , Nguyen Mai , Zapun André , Pérès Basile , Morlot Cécile , Durmort Claire , Wong Yung-Sing
Published: October 2024

Clicking fluorescent dyes to live bacteria at the right time enables high-intensity fluorescence, and high spatial and temporal resolution.
Novel pyrimidine linked acyl thiourea derivatives as potent α-amylase and proteinase K inhibitors: design, synthesis, molecular docking and ADME studies
Authors: Zaman Hina , Saeed Aamer , Ismail Hammad , Anwaar Sadaf , Latif Muhammad , Hashmi Muhammad Zaffar , El-Seedi Hesham R.
Published: October 2024

To discover promising therapeutic agents, novel diaryl pyrimidine linked acyl thiourea derivatives (6a–j) were designed and synthesized via straightforward and multistep synthesis.
An ESIPT-active orange-emissive 2-(2′-hydroxyphenyl)imidazo[1,2-a]pyridine-derived chemodosimeter for turn-on detection of fluoride ions via desilylation
Authors: Bhosle Akhil A. , Banerjee Mainak , Thakuri Ankit , Vishwakarma Pooja D. , Chatterjee Amrita
Published: October 2024

We report a new imidazo[1,2-a]pyridine-derived chemodosimeter, HIPS-Br, for the detection of F− ions. It operates by cleavage of the fluoride-recognizable tert-butyldiphenylsilane moiety to trigger orange emissions by ESIPT. LOD is 1.2 ppb.
Ascorbic acid mediated fluorescence emission of MnO2 modified upconversion nanoparticles for anti-counterfeiting
Authors: Zhang Yongling , Liu Xiang , Wang Yuhai , Song Mingxing , Qin Zhengkun
Published: October 2024

(a) TEM images of composite NPs. (b) Upconversion spectra of core–shell NPs and composite NPs under 980 nm excitation. (c) The energy transfer process of MnO2-modified Yb3+–Tm3+ system. (d–g) Photos for anti-counterfeiting application research.
Design, synthesis, and biological evaluation of novel quinoline-based EGFR/HER-2 dual-target inhibitors as potential anti-tumor agents
Authors: Al-Wahaibi Lamya H. , El-Sheref Essmat M. , Tawfeek Hendawy N. , Abou-Zied Hesham A. , Rabea Safwat M. , Bräse Stefan , Youssif Bahaa G. M.
Published: October 2024

A series of new quinoline-based derivatives was designed and synthesised. The structures of the new compounds were validated by IR, NMR, and elemental analysis. The new compounds were evaluated as antiproliferative agents targeting EGFR, and HER2.
Identification of new leads against ubiquitin specific protease-7 (USP7): a step towards the potential treatment of cancers
Authors: Javaid Sumaira , Zadi Seema , Awais Muhammad , Wahab Atia-tul , Zafar Humaira , Maslennikov Innokentiy , Choudhary M. Iqbal
Published: October 2024

Using biophysical methods small molecules were screened against USP7-CD and 12 compounds showed interactions with USP7-CD. These compounds bind with the putative substrate binding pocket and destabilize USP7-CD protein by negatively shifting the Tm.
Surface-modified spinel high entropy oxide with hybrid coating-layer for enhanced cycle stability and lithium-ion storage performance
Authors: Zhai Feiyue , Gao Shengji , Zhang Wenfeng , Cao Gaoping , Zhang Huimin , Xing Yalan , Xiang Yu , Zhang Shichao
Published: October 2024

This work demonstrates a method to enhance the electrochemical performance of spinel HEO (FeCoNiCrMn)3O4 by coating it with a hybrid layer of lithium titanate and carbon.
Two-temperature model of the non-thermal chemical dissociation of CO2
Authors: Shen Q. , Pikalev A. , Peeters F. J. J. , Gans J. , van de Sanden M. C. M.
Published: October 2024

A two-temperature model with a vibrational temperature different from the gas temperature is presented for the decomposition of CO2.
Screening transition metal electrodes for achieving near 100% selectivity to urea via electroreduction of NO3− and CO2 at 100 mA cm−2 current density
Authors: Kani Nishithan C. , Goyal Ishita , Olusegun Samuel A. , Chinnabattigalla Sreenivasulu , Bhawnani Rajan R. , Glusac Ksenija D. , Gauthier Joseph A. , Singh Meenesh R.
Published: October 2024

Electrochemical synthesis offers a sustainable approach to convert waste NO3− and CO2 into urea under ambient conditions. Here, we report Ag as a highly active catalyst achieving ∼100% selectivity and −100 mA cm−2 urea current density.
Chemical synthesis of binder-free nanosheet-like cobalt vanadium oxide thin film electrodes for hybrid supercapacitor devices
Authors: Kumbhar Sambhaji S. , Bhosale Shraddha B. , Patil Sumita S. , Ransing Akshay , Parale Vinayak G. , Lokhande Chandrakant D. , Park Hyung-Ho , Patil Umakant M.
Published: October 2024

Morphologically tuned (nanoflakes to nanosheets) CVO thin film electrodes prepared by CBD method as an emergent cathode for high-performing flexible hybrid supercapacitors.
Advanced atmospheric pressure CVD of a-Si:H using pure and cyclooctane-diluted trisilane as precursors
Authors: Fischer Benedikt , Nuys Maurice , Astakhov Oleksandr , Haas Stefan , Schaaf Michael , Besmehn Astrid , Jakes Peter , Eichel Rüdiger-A. , Rau Uwe
Published: October 2024

Exploring the effects of cyclooctane dilution, deposition temperature, process duration, and precursor amount on a-Si:H film properties deposited from liquid trisilane in an atmospheric pressure CVD system.
Scalable post-treatment for improved self-assembled monolayer coverage in perovskite solar cells
Authors: Qiu Wei-Jia , Li Yun-Shan , Lin Chieh-Ting
Published: October 2024

The Cooled Moisture Condensation (CMC) process improves MeO–2PACz coverage on FTO by increasing surface hydroxyl groups and minimizing oxygen vacancies, resulting in more uniform self-assembled monolayer coverage and enhanced solar cell performance.
Extended kinetic theory applied to pressure-controlled shear flows of frictionless spheres between rigid, bumpy planes
Authors: Vescovi Dalila , de Wijn Astrid S. , Cross Graham L. W. , Berzi Diego
Published: October 2024

We perform discrete simulations of steady, pressure-imposed, heterogeneous flows of frictionless spheres sheared between parallel bumpy planes, and use the results to test the predictions of the extended kinetic theory of granular gases.
Influence of counterion type on the scattering of a semiflexible polyelectrolyte
Authors: Gulati Anish , Douglas Jack F. , Matsarskaia Olga , Lopez Carlos G.
Published: October 2024

Understanding the influence of counterion and backbone solvation on the conformational and thermodynamic properties of polyelectrolytes in solution is one of the main open challenges in polyelectrolyte science.
Network interactions simultaneously enhance stiffness and lubricity of triple-network hydrogels
Authors: Ali Nabila , Demott Connor J. , Dingus Olivia F. , Grunlan Melissa A. , Dunn Alison C.
Published: October 2024

Tough hydrogels with a charge-variable third network were assessed for biomimicking lubricity in both water and FBS solution.
Telephone cord blister formation in solvent swollen elastomer films
Authors: Sharp James S. , Roberts Nathaniel M. , Walker Sam
Published: October 2024

Telephone cord blister formation is studied in PDMS films swollen in four different solvents. Buckling and fracture mechanics theories are developed to interpret blister morphology and growth rates. A simple surface patterning method is introduced.
Structure affinity of the Langmuir monolayer and the corresponding Langmuir–Blodgett film revealed by X-ray techniques
Authors: Alexandrova Alvina V. , Shcherbina Maxim A. , Repchenko Yuriy L. , Selivantiev Yuriy M. , Shokurov Alexander V. , Arslanov Vladimir V. , Selektor Sofiya L.
Published: October 2024

Using X-ray techniques, crown-substituted chromoionophore Langmuir–Blodgett films were proved to preserve the fine structure and functional features of pre-organized monolayers.
High sulfur content composite materials from renewable fatty acid cellulose esters (FACEs) via inverse vulcanization
Authors: Sehn Timo , Fanelli Julian , Wahl Lisa , Meier Michael A. R.
Published: October 2024

Herein, we introduce an efficient inverse vulcanization of fully renewable cellulose-based monomers and the use of the inverse vulcanizates for water purification.
Low CO2 mass transfer promotes methanol and formaldehyde electrosynthesis on cobalt phthalocyanine
Authors: Zhang Jie , Pham Thi Ha My , Xi Shibo , Zhong Liping , Liem David , You Futian , Rowley Ben , Ganganahalli Ramesha , Calle-Vallejo Federico , Yeo Boon Siang
Published: October 2024

The ratio (R) of the production rates of CH3OH and CO from electrocatalytic CO2 reduction on Co phthalocyanine is related to the average CO2 mass-transfer rate (ν) by a power function (R = 0.97ν−0.78).
Advances in sodium-ion battery cathode materials: exploring chemistry, reaction mechanisms, and prospects for next-generation energy storage systems
Authors: Zhang Han , Wang Liguang , Zuo Pengjian
Published: October 2024

Promising cathode materials and advanced operando and in situ measurements to unveil their electrochemical behavior for sodium-ion batteries are comprehensively summarized.
Ultrahigh energy storage in multilayer BiFeO3–BaTiO3–NaTaO3 relaxor ferroelectric ceramics
Authors: Montecillo Rhys , Chien R. R. , Chen Cheng-Sao , Wu Po-Hsien , Tu Chi-Shun , Feng Kuei-Chih
Published: October 2024

The rising challenge of high-density electric energy storage has accelerated the research of electric energy-storage capacitors due to their high power density and voltage resistance, excellent temperature stability, and environmental friendliness.
Balancing Ge de-intercalation and Si re-insertion rates stabilizes hydrolytically labile germanosilicate zeolites
Authors: Zhang Jin , Yue Qiudi , Shamma Emad , Abdi Sarra , Petrov Oleg , Čejka Jiří , Mintova Svetlana , Opanasenko Maksym , Shamzhy Mariya
Published: October 2024

Balanced deintercalation and reinsertion of framework atoms was used to stabilize water-sensitive germanosilicate zeolites. They become resistant to structural degradation and thus available for modification and use.
Near-IR nanolignin sensitizers based on pyrene-conjugated chlorin and bacteriochlorin for ROS generation, DNA intercalation and bioimaging
Authors: Gogde Kunal , Kirar Seema , Pujari Anil Kumar , Mohne Devesh , Yadav Ashok Kumar , Bhaumik Jayeeta
Published: October 2024

The nanolignin sensitizers demonstrated promising potential to be utilized in near-IR image-guided photodynamic therapy.
Weak Fermi level pinning and low barrier interfacial contact: 2D lead-free perovskites on multilayer GaN
Authors: Fu Pengjie , Wang Baolin , Liu Mengni , Ge Guixian , Hou Juan , Yang Xiaodong
Published: October 2024

GaN as an electron transport layer for the CsSrI3 perovskite achieves low loss contact. The Ba–CsSrI3/GaN interface effectively overcomes both FLP and high barriers, exhibiting an interface electron transfer conductivity of up to 7.79 × 103 S cm−1.
Hydroxyapatite/urea hybrid materials: what is the basis for the enhanced nutrient efficiency?
Authors: Ammar Mohamed , Ashraf Sherif , Baltrusaitis Jonas
Published: October 2024

Urea molecules are reacted with the surface of hydroxyapatite crystals to create a moderate bonding strength system, which hinder the release of N and P into the soil and support the thermal stability.
Bimetallic nanoparticles: advances in fundamental investigations and catalytic applications
Authors: Lin Hongxia , Liu Yuxi , Deng Jiguang , Jing Lin , Wang Zhiwei , Wei Lu , Wei Zhen , Hou Zhiquan , Tao Jinxiong , Dai Hongxing
Published: October 2024

Bimetallic nanoparticles provide promising active sites for many reactions, and such materials can be synthesized with different spatial distributions, such as disordered alloys, core–shell structures, and Janus-type heterogeneous structures.
Evaluation of the electrochemical energy storage performance of symmetric supercapacitor devices based on eco-friendly synthesized nitrogen-doped graphene-like derivative electrodes from the perspective of their nanostructural characteristics
Authors: Mohamed Marwa A. A. , Adel Marwa , El Nady Jehan
Published: October 2024

Electrochemical energy storage (EES) performance as supercapacitor electrode-Graphitic nanostructure correlation.
Multiresolution Models of DC Traction Power Supply Systems With Reversible Substations
Authors: Fan Fulin , Li Yafang , Ziani Smail , Stewart Brian G.
Published: October 2024

Reversible substations (RSs) permitting bidirectional power flows can recover the regenerative braking energy of trains in DC traction power supply systems (TPSSs), increasing the energy efficiency of railway systems. To predict their effects on system dynamics and energy savings, the paper develops multiresolution models (MRMs) to simulate the RS roles with different fidelities. A high‐resolution model for the transient simulation replicates a particular topology where a three‐level voltage source inverter is connected to the secondary winding of an existing 12‐pulse rectifier transformer and regulated to keep a constant DC voltage in the inverting mode. Furthermore, it can model the transient effects of pantograph‐to‐line arcing by inserting arc voltage profiles at the train’s input stage. To increase the computation speed in the long‐term energy flow simulation, a low‐resolution model simplifies the rectifiers into a series connection of a diode and a controlled voltage source depicting their nonlinear output characteristics and then places a DC voltage source in parallel to form a reverse path for braking power recovery. In addition, nonlinear conversion efficiencies are introduced to calculate energy flows across substations. The MRMs are tested based on a 1.5 kV DC TPSS and discussed alongside system dynamics under normal operation or pantograph arcing and the consistencies between different models. The RS using bidirectional voltage source converters only is additionally modelled to compare the technical performance of the two topologies in terms of system dynamics and energy efficiencies.
HealthChain: A blockchain‐based framework for secure and interoperable electronic health records (EHRs)
Authors: Husnain Ghassan , Ullah Zia , Mohmand Muhammad Ismail , Qadir Mansoor , Alzahrani Khalid J. , Ghadi Yazeed Yasin , Alkahtani Hend Khalid
Published: October 2024

Currently, there is no unified Electronic Health Record (EHR) system connecting major healthcare organizations such as hospitals, medical centers, and specialists. Blockchain technology, with its unique features, provides an ideal platform for developing a large‐scale electronic health record system. In this article, the authors introduce HealthChain, a novel blockchain‐based secure EHR system that integrates advanced encryption techniques, a robust consent management system, cross‐platform interoperability, and enhanced scalability. Unlike existing EHR systems, HealthChain allows patients to have comprehensive control over their health data, ensuring that access is strictly regulated according to their preferences. The experimental results demonstrate several significant improvements over traditional EHR systems. HealthChain reduces data access times by 30%, and its interoperability rate with various healthcare systems is 40% higher than that of other blockchain‐based EHR solutions. Security is greatly enhanced, with HealthChain experiencing 50% fewer data breaches due to its advanced encryption and smart contract‐based access controls. Moreover, patient satisfaction has increased by 35% as a result of better control and access to their health records. These findings highlight HealthChain as not only a feasible and effective solution for managing health records but also a significant advancement over existing systems.
Far field reconstruction of antennas via single‐surface phaseless spherical near‐field scans: A novel approach based on dipole equivalence
Authors: Tan Junzhe , Song Lingnan , Xiang Zhiqiang
Published: October 2024

A novel approach is proposed in this paper to reconstruct the far‐field radiation pattern from the phaseless electric field of an antenna scanned on a single near‐field sphere. It adopts the dipole equivalence approach to project the near‐field electric field into a spherically distributed array of electric dipoles. A term representing the error from the linearly correlated portion in the least‐square problem associated with the dipole equivalence, namely the linear correlation error, is introduced. It is demonstrated that by iterative search to minimize the linear correlation error using the covariance matrix adaptation evolution strategy, near‐field phase distributions can be found efficiently from the magnitude‐only near‐field, and the far‐field radiation pattern can be computed. Two representative case studies are given here to validate the proposed method. Results demonstrate good agreements between computations and simulations.
Enhancing distance protection in transmission grids with high penetration of renewable energy sources through cooperative protection
Authors: Koloushani Sayed Mahdi , Taher Seyed Abbas
Published: October 2024

This article introduces innovative protection strategies, including cooperative protection, for power transmission grids amidst a significant shift towards renewable energy sources (RES) such as wind and solar power, as well as inverter‐based resources (IBRs). The method employs a global consensus algorithm to achieve cooperative protection efficiently. This scheme leverages consensus protocols to dynamically oversee distance relay decisions, ensuring efficient fault detection and localization. The decentralized nature of the proposed method enhances robustness and security, while its high‐speed operation is ensured through non‐iterative global consensus algorithms, which provide rapid fault detection and localization crucial for real‐time protection. By incorporating virtual leaders and leveraging existing communication infrastructure, the method achieves superior selectivity in identifying faulty lines, enhancing the reliability and stability of power transmission grids with high‐RES penetration. Notably, the method does not require learning and training processes, making it adaptable to varying power system topologies without the need for extensive retraining or adaptation periods. The proposed methodology enables simultaneous participation in multiple protection zones by establishing interaction rules between agents. Virtual leaders simplify the selection of protection areas, enhancing scalability and fault localization. Simulation results conducted on the IEEE 39‐bus test system validate the effectiveness of the proposed method.
Stochastic‐gradient‐based control algorithms for power quality enhancement in solar photovoltaic interfaced three‐phase distribution system
Authors: Prasad Dinanath , Kumar Narendra , Sharma Rakhi , Alotaibi Majed A. , Malik Hasmat , Márquez Fausto Pedro García , Hossaini Mohammad Asef
Published: October 2024

Here, stochastic‐gradient‐based adaptive control algorithms have been discussed and employed for power quality enhancement in a Photovoltaics (PV) integrated distribution system. Least mean square (LMS), least mean fourth (LMF), sign‐error LMS, and ‐normalised LMS (‐NLMS) have been implemented as control algorithms for the estimation of fundamental load current. The performances of these adaptive algorithms are compared under steady‐state and dynamic conditions under the non‐linear load conditions in a closed‐loop three‐phase system. The main aim of implementing these algorithms is reactive power compensation, power quality enhancement, and load balancing in a single‐stage three‐phase grid‐tied PV system. The hysteresis current control (HCC) technique is used to generate switching pulses for the three‐phase Distribution Static Power Compensator (DSTATCOM). An MPPT is also employed to ensure maximum power delivery from the solar PV array. PV integrated three‐phase single‐stage distribution system with adaptive control algorithms is implemented in MATLAB/Simulink environment as well as in experimental environment to achieve the goals per standard IEEE‐519.
A novel millimetre‐wave 2D wide‐angle scanning phased array antenna based on decoupling surface
Authors: Xiong Bao , Zhu Yongzhong , Xu Yunxue , Xie Wenxuan , Han Leng
Published: October 2024

This paper presents a novel millimetre‐wave (mmWave) 2D wide‐angle scanning (WAS) phased array antenna (PAA) based on decoupling surface (DS). The proposed element is a coaxial feeding stacked patch antenna structure that consists of an L‐shape coaxial probe, substrate integrated waveguide cavity, slot layer, radiating patch, DS and defective ground structure. The simulated impedance bandwidth for the element is 14.85% (26.18–30.34 GHz). The simulated result of the 2 × 2 array shows that the designed antenna based on DS achieves an isolation of ≥19 dB within the bandwidth. To validate the scanning capabilities of the proposed antenna, an 8 × 8 PAA prototype is fabricated and measured. The measured scanning range of the prototype achieves a 2D WAS range of ±56° at 27 GHz. The proposed antenna shows great potential in application scenarios, such as automotive radar and satellite communication due to its compact design and ability to achieve WAS in two dimensions.
Reconfigurable super‐low‐frequency magnetoelectric antenna for underwater frequency‐hopping communication
Authors: Wang Shi‐Yu , Dou Gao‐Qi , Yi Da , Feng Shi‐Min , Tang Ming‐Chun
Published: October 2024

Based on the mechanical regulation mechanism, a super‐low‐frequency (SLF) reconfigurable magnetoelectric (ME) antenna is proposed for underwater frequency‐hopping communication. By constructing the mechanical model of the ME antenna loaded with an adjustable spring, the antenna's working frequency is predicted to be tuned in an extensive dynamic range from 148 to 331 Hz by changing the states of a loaded spring. The experiment is implemented in the frequency‐response test platform and the practical communication system using the minimum shift keying modulation. The former experiment well validates the tunable frequency response of the reconfigurable ME antenna, while the latter successfully achieves the information transmission at different working frequencies. The proposed SLF reconfigurable ME antenna serves as a potential candidate for under‐water frequency‐hopping communication.
Comparing the interstellar and circumgalactic origin of gas in the tails of jellyfish galaxies
Authors: Sparre Martin , Pfrommer Christoph , Puchwein Ewald
Published: October 2024

Simulations and observations have found long tails in ‘jellyfish galaxies’, which are commonly thought to originate from ram-pressure stripped gas of the interstellar medium (ISM) in the immediate galactic wake. At larger distances from the galaxy, the long tails have been claimed to form in situ, owing to thermal instability and fast radiative cooling of mixed ISM and intracluster medium (ICM). In this paper, we use magnetohydrodynamical wind tunnel simulations of a galaxy with the AREPO code to study the origin of gas in the tails of jellyfish galaxies. To this end, we modelled the galaxy orbit in a cluster by accounting for a time-varying galaxy velocity, ICM density, and the turbulent magnetic field. By tracking gas flows between the ISM, the circumgalactic medium (CGM), and the ICM, we find – contrary to popular opinion – that the majority of the gas in the tail originates in the CGM. Prior to the central passage of the jellyfish galaxy in the cluster, the CGM is directly transported to the clumpy jellyfish tail that has been shattered into small cloudlets. After the central cluster passage, gas in the tail originates both from the initial ISM and the CGM, but that from the latter is accreted onto the galactic ISM before being ram-pressure stripped to form filamentary tentacles in the tail. Our simulation shows a declining gas metallicity in the tail as a function of downstream distance from the galaxy. We conclude that the CGM plays an important role in shaping the tails of jellyfish galaxies.
Effects from different grades of stickiness between icy and silicate particles on carbon depletion in protoplanetary disks
Authors: Okamoto T. , Ida S.
Published: October 2024

Context. The Earth and other rocky bodies in the inner Solar System are significantly depleted in carbon, compared to the Sun and the interstellar medium (ISM) dust. Observations suggest that more than half of the carbon material in the ISM and comets are in a highly refractory form, such as amorphous hydrocarbons and (less refractory) complex organics, which can make up the building blocks of rocky bodies. While amorphous hydrocarbons can be destroyed by photolysis and oxidation, previous studies have suggested that the radial transport of solid particles suppresses carbon depletion. The only exception is the case of strictly complex organics as the refractory carbons, which are considerably less refractory than amorphous hydrocarbons.

Aims. We aim to reveal the conditions for the severe carbon depletion in the inner Solar System, by adding potentially more realistic settings: different levels of stickiness between icy and silicate particles and high-temperature regions in the upper optically thin layer of the disk, which were not included in the previous works.

Methods. We performed a 3D Monte Carlo simulation of radial drift and turbulent diffusion of solid particles in a steady accretion disk with the above additional settings as well as ice evaporation and recondensation. We considered the photolysis and oxidation of hydrocarbons in the upper layer as well as the pyrolysis of complex organics to evaluate the radial distribution of carbon fraction in the disk by locally averaging individual particles.

Results. The carbon fraction drops off inside the snow line by two orders of magnitude compared to the solar value, under the following conditions: i) when silicate particles are much less sticky than icy particles and ii) when there are high-temperature regions in the disk upper layer. The former leads to fast decay of the icy pebble flux, while the silicate particles are still piling up inside the snow line. The latter contributes to the efficient turbulent stirring up of silicate particles to the upper UV-exposed layer.

Conclusions. We have identified simulation settings to reproduce a carbon depletion pattern that is consistent with the observed one in the inner Solar System. The conditions are not too restricted and allow for a diverse carbon fraction of rocky bodies. These effects could be responsible for the observed large diversity of metals on photospheres of white dwarfs and may suggest diverse surface environments for rocky planets in habitable zones.
Probing the magnetic fields of starspots with transit mapping
Authors: Menezes Fabian , Araújo Alexandre , Valio Adriana
Published: October 2024

Context. Starspots, regions of strong magnetic fields, serve as indicators of stellar activity and the dynamo mechanism at play in the interior of stars. The magnetic fields of main-sequence stars play a crucial role in driving stellar activity. An effective approach to better understanding stellar magnetic fields and activity lies in the detailed characterisation of starspot properties.

Aims. We propose a new method for estimating the magnetic fields of starspots that employs modelling techniques of planetary transit mapping, which provides estimates of the size, intensity, and location of spots on the stellar photosphere.

Methods. A starspot’s maximum magnetic field was calculated using the linear relationship with the spot flux deficit, ΔFspot (the spot’s brightness times its area) and the well-characterised relation for sunspots determined in this work, Bspot = 1170 + 844log Δ​Fspot (G).

Results. Applying this relationship to previously mapped spots on the photospheres of 14 FGK and M stars yields spot maximum magnetic fields ranging from 2700 G to 4600 G, with an overall average of 3900 ± 400 G. We looked for correlations between starspot magnetic fields and stellar properties. We did not find any correlation between a spot’s mean extreme magnetic field and effective temperature, nor the differential shear. However, a weak anti-correlation is seen between the spots’ magnetic field and stellar age as well as between the magnetic field and the rotation period.

Conclusions. When compared with previous results of small-scale magnetic field measurements, the B values obtained here are basically constant and near the saturation limit found for rapid rotators. This implies that it is not the intensity of the magnetic field of starspots that decreases with age but rather the filling factor. This result offers a unique window into the magnetic dynamo of stars.