bluuebunny/crossref_metadata_2025 huggingface dataset:
An AI-based algorithm for the automatic evaluation of image quality in canine thoracic radiographs
Authors: Banzato Tommaso , Wodzinski Marek , Burti Silvia , Vettore Eleonora , Muller Henning , Zotti Alessandro
Published: October 2023

The aim of this study was to develop and test an artificial intelligence (AI)-based algorithm for detecting common technical errors in canine thoracic radiography. The algorithm was trained using a database of thoracic radiographs from three veterinary clinics in Italy, which were evaluated for image quality by three experienced veterinary diagnostic imagers. The algorithm was designed to classify the images as correct or having one or more of the following errors: rotation, underexposure, overexposure, incorrect limb positioning, incorrect neck positioning, blurriness, cut-off, or the presence of foreign objects, or medical devices. The algorithm was able to correctly identify errors in thoracic radiographs with an overall accuracy of 81.5% in latero-lateral and 75.7% in sagittal images. The most accurately identified errors were limb mispositioning and underexposure both in latero-lateral and sagittal images. The accuracy of the developed model in the classification of technically correct radiographs was fair in latero-lateral and good in sagittal images. The authors conclude that their AI-based algorithm is a promising tool for improving the accuracy of radiographic interpretation by identifying technical errors in canine thoracic radiographs.
Drift–diffusion modeling reveals that masked faces are preconceived as unfriendly
Authors: Mulder Martijn J. , Prummer Franziska , Terburg David , Kenemans J. Leon
Published: October 2023

During the COVID-19 pandemic, the use of face masks has become a daily routine. Studies have shown that face masks increase the ambiguity of facial expressions which not only affects (the development of) emotion recognition, but also interferes with social interaction and judgement. To disambiguate facial expressions, we rely on perceptual (stimulus-driven) as well as preconceptual (top-down) processes. However, it is unknown which of these two mechanisms accounts for the misinterpretation of masked expressions. To investigate this, we asked participants (N = 136) to decide whether ambiguous (morphed) facial expressions, with or without a mask, were perceived as friendly or unfriendly. To test for the independent effects of perceptual and preconceptual biases we fitted a drift–diffusion model (DDM) to the behavioral data of each participant. Results show that face masks induce a clear loss of information leading to a slight perceptual bias towards friendly choices, but also a clear preconceptual bias towards unfriendly choices for masked faces. These results suggest that, although face masks can increase the perceptual friendliness of faces, people have the prior preconception to interpret masked faces as unfriendly.
Machine learning analysis and risk prediction of weather-sensitive mortality related to cardiovascular disease during summer in Tokyo, Japan
Authors: Ohashi Yukitaka , Ihara Tomohiko , Oka Kazutaka , Takane Yuya , Kikegawa Yukihiro
Published: October 2023

Climate-sensitive diseases developing from heat or cold stress threaten human health. Therefore, the future health risk induced by climate change and the aging of society need to be assessed. We developed a prediction model for mortality due to cardiovascular diseases such as myocardial infarction and cerebral infarction, which are weather or climate sensitive, using machine learning (ML) techniques. We evaluated the daily mortality of ischaemic heart disease (IHD) and cerebrovascular disease (CEV) in Tokyo and Osaka City, Japan, during summer. The significance of delayed effects of daily maximum temperature and other weather elements on mortality was previously demonstrated using a distributed lag nonlinear model. We conducted ML by a LightGBM algorithm that included specified lag days, with several temperature- and air pressure-related elements, to assess the respective mortality risks for IHD and CEV, based on training and test data for summer 2010–2019. These models were used to evaluate the effect of climate change on the risk for IHD mortality in Tokyo by applying transfer learning (TL). ML with TL predicted that the daily IHD mortality risk in Tokyo would averagely increase by 29% and 35% at the 95th and 99th percentiles, respectively, using a high-level warming-climate scenario in 2045–2055, compared to the risk simulated using ML in 2009–2019.
The prediction of sagittal chin point relapse following two-jaw surgery using machine learning
Authors: Kim Young Ho , Kim Inhwan , Kim Yoon-Ji , Kim Minji , Cho Jin-Hyoung , Hong Mihee , Kang Kyung-Hwa , Lim Sung-Hoon , Kim Su-Jung , Kim Namkug , Shin Jeong Won , Sung Sang-Jin , Baek Seung-Hak , Chae Hwa Sung
Published: October 2023

The study aimed to identify critical factors associated with the surgical stability of pogonion (Pog) by applying machine learning (ML) to predict relapse following two-jaw orthognathic surgery (2 J-OGJ). The sample set comprised 227 patients (110 males and 117 females, 207 training and 20 test sets). Using lateral cephalograms taken at the initial evaluation (T0), pretreatment (T1), after (T2) 2 J-OGS, and post treatment (T3), 55 linear and angular skeletal and dental surgical movements (T2-T1) were measured. Six ML modes were utilized, including classification and regression trees (CART), conditional inference tree (CTREE), and random forest (RF). The training samples were classified into three groups; highly significant (HS) (≥ 4), significant (S) (≥ 2 and < 4), and insignificant (N), depending on Pog relapse. RF indicated that the most important variable that affected relapse rank prediction was ramus inclination (RI), CTREE and CART revealed that a clockwise rotation of more than 3.7 and 1.8 degrees of RI was a risk factor for HS and S groups, respectively. RF, CTREE, and CART were practical tools for predicting surgical stability. More than 1.8 degrees of CW rotation of the ramus during surgery would lead to significant Pog relapse.
Adaptive focal lengths in white light focusing Fresnel lenses enabled by reflective-type and phase-only spatial light modulator
Authors: Selvaraj Pravinraj , Wang Sheng-Le , Hou Tsung-Yi , Liu Cheng-Kai , Cheng Ko-Ting
Published: October 2023

Fresnel zone plates (FZPs) are widely used in integrated optical systems to meet new cutting-edge demands for photonic integration and device miniaturizing. However, their use in applications of cross-scale fabrication still faces several obstacles, such as low efficiency, fixed focal length, single wavelength, large size, and complicated fabrication. Here, we first examine a novel adaptive focal length in white light focusing by using reflective-type and phase-only spatial light modulator (RLC-SLM) based on a liquid crystal on silicon. The device achieves a maximum diffraction efficiency of approximately 38% at primary focal points of binary phase-type FZPs throughout the visible range (red, green, and blue wavelengths). The RLC-SLM focuses the light of the desired wavelength while other sources are defocused. White light focusing and color separation are demonstrated by sequentially and additively switching different FZPs. These recent advances show that optically tunable FRZs are promising potential candidates to enhance adaptive camera systems, microscopes, holograms, and portable and wearable devices, thereby opening up novel possibilities in optical communications and sensing.
Qualitative and quantitative comparison of two semi-manual retinal vascular density analyzing methods on optical coherence tomography angiography images of healthy individuals
Authors: Angeli Orsolya , Hajdu Dorottya , Jeney Aniko , Czifra Balint , Nagy Balazs Vince , Balazs Tamas , Nemoda Dora Jakaboczkine , Somfai Gabor Mark , Nagy Zoltan Z. , Peto Tunde , Schneider Miklos
Published: October 2023

The aim of this study was to evaluate qualitative and quantitative differences in vascular density analysis of an established and a novel alternative for post-processing on optical coherence tomography angiography (OCTA) images in healthy individuals. OCTA examinations of 38 subjects were performed. After extracting the images, two semi-manual post-processing techniques, the already established Mexican hat filtering (MHF) and an alternative, the Shanbhag thresholding (ST) were applied. We assessed Vessel Density (VD), Skeleton Density (SkD) and Vessel Diameter Index (VDI). We analyzed the results in order to establish similarities or potentially relevant differences. Regarding SkD and VD, MHF generally gave higher values than ST. Simultaneously, mean values were also predominantly higher by MHF; however, standard deviations (SD) were higher by ST (range [mean ± SD]: 0.054 ± 0.038 to 0.134 ± 0.01 and 0.134 ± 0.095 to 0.362 ± 0.028 vs 0.012 ± 0.014 to 0.087 ± 0.03 and 0.039 ± 0.047 to 0.4 ± 0.095 for SkD and VD with MHF vs SkD and VD with ST, respectively). Values of VDI were considerably higher with ST than with MHF, while standard deviation was still significantly higher with ST (range [mean ± SD]: 2.459 ± 0.144 to 2.71 ± 0.084 and 2.983 ± 0.929 to 5.19 ± 1.064 for VDI with MHF and ST, respectively). The noise level reduction of the two methods were almost identical (noise levels: 65.8% with MHT and 65.24% with ST). Using MHF, the vascular network gets more fragmented by an average of 40% compared to ST. Both methods allow the segmentation of the vascular network and the examination of vascular density parameters, but they produce largely inconsistent results. To determine if these inconsistent results are clinically meaningful, and which method is more suitable for clinical use, our results provide further evidence that detailed understanding of the image analysis method is essential for reliable decision making for patients with retinal pathology. For longitudinal monitoring, use of the same image processing method is recommended.
Biased brain and behavioral responses towards kin in males of a communally breeding species
Authors: Fricker Brandon A. , Ho Deborah , Seifert Ashley W. , Kelly Aubrey M.
Published: October 2023

In complex social environments, individuals may interact with not only novel and familiar conspecifics but also kin and non-kin. The ability to distinguish between conspecific identities is crucial for most animals, yet how the brain processes conspecific type and how animals may alter behavior accordingly is not well known. We examined whether the communally breeding spiny mouse (Acomys cahirinus) responds differently to conspecifics that vary in novelty and kinship. In a group interaction test, we found that males can distinguish novel kin from novel non-kin, and preferentially spend time with novel kin over familiar kin and novel non-kin. To determine whether kinship and novelty status are differentially represented in the brain, we conducted immediate early gene tests, which revealed the dorsal, but not ventral, lateral septum differentially processes kinship. Neither region differentially processes social novelty. Further, males did not exhibit differences in prosocial behavior toward novel and familiar conspecifics but exhibited more prosocial behavior with novel kin than novel non-kin. These results suggest that communally breeding species may have evolved specialized neural circuitry to facilitate a bias to be more affiliative with kin, regardless of whether they are novel or familiar, potentially to promote prosocial behaviors, thereby facilitating group cohesion.
In vivo recording of the circadian calcium rhythm in Prokineticin 2 neurons of the suprachiasmatic nucleus
Authors: Onodera Kaito , Tsuno Yusuke , Hiraoka Yuichi , Tanaka Kohichi , Maejima Takashi , Mieda Michihiro
Published: October 2023

Prokineticin 2 (Prok2) is a small protein expressed in a subpopulation of neurons in the suprachiasmatic nucleus (SCN), the primary circadian pacemaker in mammals. Prok2 has been implicated as a candidate output molecule from the SCN to control multiple circadian rhythms. Genetic manipulation specific to Prok2-producing neurons would be a powerful approach to understanding their function. Here, we report the generation of Prok2-tTA knock-in mice expressing the tetracycline transactivator (tTA) specifically in Prok2 neurons and an application of these mice to in vivo recording of Ca2+ rhythms in these neurons. First, the specific and efficient expression of tTA in Prok2 neurons was verified by crossing the mice with EGFP reporter mice. Prok2-tTA mice were then used to express a fluorescent Ca2+ sensor protein to record the circadian Ca2+ rhythm in SCN Prok2 neurons in vivo. Ca2+ in these cells showed clear circadian rhythms in both light–dark and constant dark conditions, with their peaks around midday. Notably, the hours of high Ca2+ nearly coincided with the rest period of the behavioral rhythm. These observations fit well with the predicted function of Prok2 neurons as a candidate output pathway of the SCN by suppressing locomotor activity during both daytime and subjective daytime.
Mass-univariate analysis of scalp ERPs reveals large effects of gaze fixation location during face processing that only weakly interact with face emotional expression
Authors: Itier Roxane J. , Durston Amie J.
Published: October 2023

Decoding others’ facial expressions is critical for social functioning. To clarify the neural correlates of expression perception depending on where we look on the face, three combined gaze-contingent ERP experiments were analyzed using robust mass-univariate statistics. Regardless of task, fixation location impacted face processing from 50 to 350 ms, maximally around 120 ms, reflecting retinotopic mapping around C2 and P1 components. Fixation location also impacted majorly the N170-P2 interval while weak effects were seen at the face-sensitive N170 peak. Results question the widespread assumption that faces are processed holistically into an indecomposable perceptual whole around the N170. Rather, face processing is a complex and view-dependent process that continues well beyond the N170. Expression and fixation location interacted weakly during the P1-N170 interval, supporting a role for the mouth and left eye in fearful and happy expression decoding. Expression effects were weakest at the N170 peak but strongest around P2, especially for fear, reflecting task-independent affective processing. Results suggest N170 reflects a transition between processes rather than the maximum of a holistic face processing stage. Focus on this peak should be replaced by data-driven analyses of the epoch using robust statistics to fully unravel the early visual processing of faces and their affective content.
Research on the integral forming process of thin walled and thick mouth seamless gas cylinders
Authors: Wang Chen , Yu Haofei , Tian Wang , Zhao Chunjiang , Jiang Lianyun , Bai Qiaofeng
Published: October 2023

There is a considerable difference in wall thickness between the mouth and the cavity of thin-walled and thick-mouthed seamless gas cylinders, and the existing manufacturing processes are unable to effectively meet product requirements. To overcome such issue, a step-by-step boring-necking-spinning solution for gas cylinders was proposed, in which sufficient wall thickness is reserved for the mouth area of the cylinder blank, followed by necking-spinning to realize the overall forming of thin-walled, thick-mouthed seamless gas cylinders. The stress–strain distribution and geometric dimensional changes of gas cylinders during the spinning process were investigated by means of finite element simulation, and the effects of different process parameters on the stress and wall thickness of the bottle mouth were analyzed. Further, multi-objective optimization of the response surface model was performed using the NSGA-II algorithm to derive a set of optimal process parameters. Finally, the correctness of the simulation and optimization results was verified experimentally, and the expected geometry and optimal strain state of the gas cylinder were obtained. The newly developed processing solution represents a groundbreaking advancement in the manufacturing of thin-walled and thick-mouthed gas cylinders.
Characterization and experimental verification of the rotating synthetic aperture optical imaging system
Authors: Sun Yu , Zhi Xiyang , Zhang Lei , Jiang Shikai , Shi Tianjun , Wang Nan , Gong Jinnan
Published: October 2023

The rotating synthetic aperture (RSA) optical imaging system employs a rectangular primary mirror for detection. During the imaging process, the primary mirror rotates around the center to achieve the aperture equivalent to the long side of the rectangle at different rotation angles. As a result, the system’s point spread function changes over time, causing periodic time-varying characteristics in the acquired images’ resolution. Moreover, due to the rectangular primary mirror, the images obtained by the RSA system are spatially asymmetric, with a lower resolution in the short side’s direction than in the long side’s direction. Hence, image processing techniques are necessary to enhance the image quality. To provide reference for the study of image quality improvement methods, we first characterize the imaging quality degradation mechanism of the RSA system and the time–space evolution law of the imaging process. We then establish an imaging experiment platform to simulate the dynamic imaging process of the RSA system. We quantify the RSA system’s impact on image degradation using objective indexes. Subsequently, by comparing the imaging experiment results with theoretical analysis, we verify the spatially asymmetric and temporally periodic imaging characteristics of the RSA system. Lastly, we introduce image super-resolution experiments to assess the limitations of directly applying generic deep learning-based single image super-resolution methods to the images captured by the RSA system, thereby revealing the challenges involved in improving image quality for the RSA system.
Low-frequency orbital variations controlled climatic and environmental cycles, amplitudes, and trends in northeast Africa during the Plio-Pleistocene
Authors: Lupien Rachel , Uno Kevin , Rose Cassaundra , deRoberts Nicole , Hazan Cole , de Menocal Peter , Polissar Pratigya
Published: October 2023

The eastern Mediterranean sapropels, paced by insolation, provide a unique archive of African monsoon strength over the Late Neogene. However, the longer-term climate of this region lacks characterization within the context of changes in ice volume, sea surface temperature gradients, and terrestrial ecosystems. Here, we examine C28n-alkanoic acid leaf wax hydrogen and carbon isotopes in sapropels, sourced from northeast Africa, along with vegetation-corrected precipitation isotopes, derived from astronomically dated sediment cores from ODP 160 Sites 966 and 967 since 4.5 million years ago. Despite sampling only wet-phase sapropels for African monsoon variability, we find a larger range in hydrogen isotopes than previously published data across wet-dry precession cycles, indicating the importance of long-term modulation of Green Sahara phases throughout the Neogene. An influence of orbital properties on regional monsoonal hydroclimate is observed, controlling up to 50% of total hydrogen isotope variance, but large changes outside of these typical frequencies account for at least 50% of the total variance. This secular trend may track changes in ice volume, tropical sea surface temperature, sea surface temperature gradients, or even lower-frequency orbital cycles. Long-term hydroclimate and environmental shifts provide new contexts for milestone events in northeast African hominin dispersal and evolution.
Development of highly selective and sensitive molecularly imprinted polymer-based electrochemical sensors for tolvaptan assay in tablets and serum
Authors: Karadurmus Leyla , Budak Fatma , Cetinkaya Ahmet , Atici Esen Bellur , Ozkan Sibel A.
Published: October 2023

In this work we report a comparatives study on the design of MIP-based electrochemical sensors for the determination of TOL by PP and TP methods.
Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization
Authors: Ahsan Mollah Rohan , Singh Lavanya , Varma Harshit , Mukherjee Arijit
Published: October 2023

A well-known molecule, benzilic acid, is used as a [2+2] photodimerization template by using third-generation crystal engineering principles.
Plasmon enabled Claisen rearrangement with sunlight
Authors: Kashyap Radha Krishna , Tyagi Shreya , Pillai Pramod P.
Published: October 2023

The use of a thermodynamically closed reactor prevented the interference of hot-charge carriers in the plasmonic-heat driven Claisen rearrangement, which is conventionally performed with electrical-heating at 250 °C.
Internal charge-transfer in a metal-catalyzed oxidative addition reaction turns an inhibitive electric field stimulus to catalytic
Authors: Gopakumar Karthik , Samantaray Vivekananda , Prusty Mithun Kumar , Swain Lopita , Ramanan Rajeev
Published: October 2023

Oriented external electric field is used to manipulate the direction of charge transfer in metal catalyzed oxidative addition reaction. The resultant mechanistic swap transforms an inhibitive electric field into a catalytic one.
4-Electron redox enabled by a perylene diimide containing side-chain amines for efficient organic cathode development
Authors: He Zhiling , Zhu Junfeng , Yin Mingyu , Liao Deyi , Feng Jiajin , Zeng Qingguang , Yu Hui , Xin John H. , Wang Da , Liu Xi
Published: October 2023

A 4-electron reversible energy-storage process is achieved using an amine side-chain-modified perylene diimide cathode.
Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage
Authors: Cai Zhen-an , Du Jing , Huang Tiefan , Ding Yanjun , Wu Mingzai
Published: October 2023

Crystalline DHTA-cage shows vapochromic response to chloroform selectively over dichloromethane or tetrachloromethane, realizing the discrimination between molecules with similar structures.
In-depth magnetometry and EPR analysis of the spin structure of human-liver ferritin: from DC to 9 GHz
Authors: Bossoni Lucia , Labra-Muñoz Jacqueline A. , van der Zant Herre S. J. , Čaluković Vera , Lefering Anton , Egli Ramon , Huber Martina
Published: October 2023

Electron paramagnetic resonance and SQUID magnetometry reveal the magnetic properties of the iron-rich ferritin core. A new theory links the spin state of ∼2000 Fe atoms in the core to surface-spin canting.
DFT analysis of nitrogen isotopic reduction partition function ratios in proton exchange equilibria of glutamic acid species in water and its application to the estimation of nitrogen isotope fractionation
Authors: Oi Takao , Yanase Satoshi , Musashi Masaaki
Published: October 2023

The order of decrease in the nitrogen isotopic reduced partition function ratios for the eight glutamic acid species is shown in the figure, and a clear difference was observed between the species with a –NH3+ group and those with a –NH2 group.
Using oriented external electric fields to manipulate rupture forces of mechanophores
Authors: Scheele Tarek , Neudecker Tim
Published: October 2023

Using electronic structure calculations, we show that oriented external electric fields have a strong effect on the mechanical force required to activate mechanophores.
Ultralow ruthenium modification of cobalt metal–organic frameworks for enhanced efficient bifunctional water splitting
Authors: Wu Yuanyuan , Gu Xuejiao , Jiang Wei , Lang Jihui , Ma Yunchao , Lu Yang , Yang Xiaotian , Liu Chunbo , Che Guangbo
Published: October 2023

An ultralow Ru-modified cobalt metal–organic framework nanosheet array bifunctional catalyst exhibits excellent bifunctional electrocatalytic activity and stability in alkaline media.
Achieving a highly efficient triboelectric nanogenerator via a charge reversion process
Authors: Guo Ziting , Yang Peiyuan , Zhao Zhihao , Gao Yikui , Zhang Jiayue , Zhou Linglin , Wang Jie , Wang Zhong Lin
Published: October 2023

A highly efficient TENG is achieved based on a charge reversion process arising from the electrostatic breakdown effect, which is supported by a modified dielectric capacitance model in theory, to improve the output performance.
Screening potential anodic chemistry in lieu of the oxygen evolution reaction in electrolysis systems: the road to practical application
Authors: Chen Hongwu , Liu Zhifang , Zhou Hua , Yang Xue , Lin Wei
Published: October 2023

A repository of alternative anodic chemistry in lieu of oxygen evolution, from the production of value-added chemicals or degradation of pollutants, enables profitable electrolysis systems for the renewable energy-driven electrochemical industry.
Addressing global water stress using desalination and atmospheric water harvesting: a thermodynamic and technoeconomic perspective
Authors: Kocher Jordan D. , Menon Akanksha K.
Published: October 2023

A thermodynamic and technoeconomic analysis reveals that desalination can produce freshwater at a lower energy footprint and levelized cost compared to atmospheric water harvesting.
Recent advances in thermogels for the management of diabetic ocular complications
Authors: Ong Nicholas Wei Xun , Sim Belynn , Chang Jun Jie , Wong Joey Hui Min , Loh Xian Jun , Goh Rubayn
Published: October 2023

Diabetes when left untreated can lead to various complications in the eye – at its most severe, leading to vision loss. Injectable thermogels provide a minimally-invasive platform that facilitates the treatment and recovery of these patients.
Hollow nanocages of vanadium nitride-based electrode material designed for superior charging/discharging stability supercapacitors
Authors: Dang Hao , Wang Lu , Peng Yuanyou , He Tianqi , Ran Fen
Published: October 2023

Vanadium nitride quantum dot composites are prepared by in situ replacement using a ZIF-8 dodecahedral structure, resulting in a material with good electrochemical performance and enhanced cycling stability.
Total synthesis of (−)-δ-lycorane
Authors: Shukla Jyoti , Gangwar Manoj Kumar , Koley Dipankar
Published: October 2023

The total synthesis of (−)-δ-lycorane is reported.
Utilization of 2D materials in aqueous zinc ion batteries for safe energy storage devices
Authors: Kim Jun Sub , Heo Seong-Wook , Lee So Young , Lim Jae Muk , Choi Seonwoo , Kim Sun-Woo , Mane Vikas J. , Kim Changheon , Park Hyungmin , Noh Young Tai , Choi Sinho , van der Laan Timothy , Ostrikov Kostya (Ken) , Park Seong-Ju , Doo Seok Gwang , Han Seo Dong
Published: October 2023

Schematic illustration of various types of 2D materials with advantageous features to improve the performance of AZIBs.
Bismuth nanoclusters on nitrogen-doped porous carbon nanoenzyme for cancer therapy
Authors: Zhong Songjing , Zhang Zeyu , Zhao Yunchao , Wang Shaobo , Hu Quanhong , Li Linlin
Published: October 2023

We have designed a highly efficient bismuth nanocluster supported on nitrogen-doped porous carbon as a nanozyme (Bi-NC) for cancer therapy. At the same time, Bi-NC shows good photothermal conversion performance to generate heat for strengthening the therapy.
Rhodium(ii)-catalyzed synthesis of 2-aminoquinoline derivatives from 2-quinolones and N-sulfonyl-1,2,3-triazoles
Authors: Kahar Nilesh M. , Jadhav Pankaj P. , Dawande Sudam G.
Published: October 2023

An efficient and facile rhodium(ii) catalyzed denitrogenative method for the synthesis of 2-aminoquinoline derivatives from 2-quinolones and N-sulfonyl-1,2,3-triazoles has been described.
Ring-opening terpolymerisation of phthalic thioanhydride with carbon dioxide and epoxides
Authors: Stühler Merlin R. , Gallizioli Cesare , Rupf Susanne M. , Plajer Alex J.
Published: October 2023

The ring-opening terpolymerisation of phthalic thioanhydride with CO2 and epoxides leads to the formal incorporation of (photo)chemically labile thioester breaking points into the parent poly(ester-carbonate) backbone.
Synthesis of PVP-capped trimetallic nanoparticles and their efficient catalytic degradation of organic dyes
Authors: Memon Kanwal , Memon Roomia , Khalid Awais , Al-Anzi Bader S. , Uddin Siraj , Sherazi Syed Tufail Hussain , Chandio Answer , Talpur Farah Naz , Latif Asma Abdul , Liaqat Iram
Published: October 2023

Photocatalytic degradation studies of organic dyes using TNPs.
Optimized HPLC extraction method of quercetin and berberine based on response surface analysis
Authors: Li LanQing , Cheng Jia , Lu Fan , Du YaDong , Xie Yue , Zhou Cheng , Zhang Jie , Feng YingHao
Published: October 2023

In order to establish a method for simultaneous determination and extraction of quercetin and berberine in soil, HPLC-PDA multi-wavelength method was used to detect the content of berberine and quercetin in soil solution.
Development of two highly sensitive and selective sensor-assisted fluorescence immunoassays for trace determination of copper residues in food samples
Authors: Darwish Ibrahim A. , Wang Zongzhi , Darling Ryhan J. , Alzoman Nourah Z.
Published: October 2023

This study describes the development of two highly sensitive and selective sensor-assisted fluorescence immunoassays for the trace determination of copper ions, Cu(ii) residues, in food samples.
Mitochondria-targeting EGCG derivatives protect H9c2 cardiomyocytes from H2O2-induced apoptosis: design, synthesis and biological evaluation
Authors: Sahadevan Revathy , Binoy Anupama , Shajan Irene , Sadhukhan Sushabhan
Published: October 2023

Mitochondrial-targeting EGCG derivatives, MitoEGCGn(n= 4, 6) were able to effectively combat H2O2-induced oxidative stress and augment mitochondrial health by maintaining mitochondrial function and attenuating apoptosis in H9c2 cardiomyocytes.
Synthesis, thermophysical characterization and thermal performance analysis of novel Cu-MXene hybrid nanofluids for efficient coolant applications
Authors: Kumar Kodi Rajesh , Shaik Aabid Hussain
Published: October 2023

Hybrid nanofluids are considered as an alternative for conventional heat transfer fluids and mono nanofluids due to its remarkable enhancement in thermo-physical properties.
Influence of chemical composition on the amount of second phases precipitates and transformation temperatures of TiNiPdCu shape memory alloys prepared through novel powder metallurgy route
Authors: Hussain Abid , Kan Afzal , Khan Muhammad Imran , Rehman Saif Ur
Published: October 2023

The chemical composition of TiNiPdCu high temperature shape memory alloys (HTSMAs) affects their microstructure and martensitic transformations.
Recent development of piezoelectric biosensors for physiological signal detection and machine learning assisted cardiovascular disease diagnosis
Authors: Huang Shunyao , Gao Yujia , Hu Yian , Shen Fengyi , Jin Zhangsiyuan , Cho Yuljae
Published: October 2023

This review provides the recent development of wearable piezoelectric biosensors assisted by machine learning for continuous and real-time health monitoring.
Optimization of green deep eutectic solvent (DES) extraction of Chenopodium quinoa Willd. husks saponins by response surface methodology and their antioxidant activities
Authors: Cai Yu-Qing , Gao Hui , Song Lin-Meng , Tao Fei-Yan , Ji Xue-Ying , Yu Yuan , Cao Yu-Qing , Tang Shao-Jian , Xue Peng
Published: October 2023

A 1,2-propylene glycol – choline chloride DES system was selected as the optimal extraction solvent which was more effective for extraction of quinoa saponins than the traditional extraction methods.
A numerical procedure for understanding the self-absorption effects in laser induced breakdown spectroscopy
Authors: John Lekha Mary , Anoop K. K.
Published: October 2023

Self-absorption (SA) of analytical plasmas is studied by simulating optically thick emission spectra. The study found that SA decreases at higher plasma temperatures but increases with longer optical path lengths and higher analyte concentrations.
Anisotropic material depletion in epitaxial polymer crystallization
Authors: Liu Jason X. , Xia Yang , Wang Yucheng , Haataja Mikko P. , Arnold Craig B. , Priestley Rodney D.
Published: October 2023

Matrix-assisted pulsed laser evaporation enables precise control of polymer film deposition, facilitating the creation of well-oriented epitaxial polymer films and offering insights into confined crystallization.
Identifying structure-function relationships to modulate crossover in nonaqueous redox flow batteries
Authors: Jett Brianna , Flynn Autumn , Sigman Matthew S. , Sanford Melanie S.
Published: October 2023

QSPR analyses can be used to identify useful descriptors leading to statistical models for membrane crossover. This data-driven approach can be used to evaluate ROMs for asymmetric non-aqueous redox flow batteries.
High and tuneable anisotropic thermal conductivity controls the temperature distribution of 3D printed all-polyethylene objects
Authors: Klein Ina , Tran Thomas , Reiser René , Theis Maximilian , Rosenfeldt Sabine , Schöttle Marius , Schirmeister Carl , Bösecke Peter , Rettinger Stefan , Mülhaupt Rolf , Retsch Markus
Published: October 2023

An all-polyethylene (PE) material that crystallizes into a hierarchical shish-kebab structure is introduced. The microstructure translates into a high and anisotropic thermal conductivity that can be controlled by fused-filament fabrication.
Covalent modification of surfaces with porous metal–organic materials
Authors: Montone Christine M. , Dworzak Michael R. , Yap Glenn P. A. , Bloch Eric D.
Published: October 2023

Enhancing MOF and PCC tunability: surface attachment explored via click chemistry, alkylation, and electrostatic methods.
Recent advances in synthesis of water-stable metal halide perovskites and photocatalytic applications
Authors: Zhao He , Kordas Krisztian , Ojala Satu
Published: October 2023

This review summarizes recent approaches for stabilizing metal halide perovskites in water, including surface engineering, common-ion effect, and intrinsic water stability as well as their photocatalytic applications.
Intrinsically robust cubic MnCoOx solid solution: achieving high activity for sustainable acidic water oxidation
Authors: Zhang Jingjing , Raza Ali , Zhao Yang , Guo Song , Babar Zaheer Ud Din , Xu Liangliang , Cao Changhai , Li Gao
Published: October 2023

The MnCoOx solid solution catalysts show excellent catalytic efficiency and stability in the acidic OER. The investigation and DFT studies highlight the essential role of Co3+ and Mn4+ cations and oxygen vacancies in the OER mechanism.
A conceptual framework for designing and analyzing complex molecular circuits
Authors: Kumar Ravinder , Seth Charu , Kaliginedi Veerabhadrarao , Venkatramani Ravindra
Published: October 2023

A computational framework to design molecular breadboards is presented. We demonstrate that the conductance of constituent circuits in a bis-terpyridine breadboard can be varied by changing the position of electrode anchoring nitrogen atoms.
High Seebeck coefficient from isolated oligo-phenyl arrays on single layered graphene via stepwise assembly
Authors: Wang Xintai , Ismael Ali , Alanazi Bashayr , Al-Jobory Alaa , Wang Junsheng , Lambert Colin J.
Published: October 2023

Organic thin films composed of highly ordered molecular arrays hold tremendous potential for thermoelectric energy harvesting.
Compositionally variant bimetallic Cu–Mn oxysulfide electrodes with meritorious supercapacitive performance and high energy density
Authors: El Sharkawy Heba M. , Elbanna Abdussalam M. , Khedr Ghada E. , Allam Nageh K.
Published: October 2023

The fabricated asymmetric supercapacitor device (Cu3Mn1OS//AC) exhibits a very high energy density of 76.56 W h kg−1 along with a power density of 985.01 W kg−1 at 1 A g−1 with superior electrochemical stability and efficiency over 10 000 cycles.
Exploring the brown dwarf desert with precision radial velocities and Gaia DR3 astrometric orbits
Authors: Unger N. , Ségransan D. , Barbato D. , Delisle J.-B. , Sahlmann J. , Holl B. , Udry S.
Published: October 2023

Context. The observed scarcity of brown dwarfs in close orbits (within 10 au) around solar-type stars has posed significant questions about the origins of these substellar companions. These questions not only pertain to brown dwarfs but also impact our broader understanding of planetary formation processes. However, to resolve these formation mechanisms, accurate observational constraints are essential. Notably, most of the brown dwarfs have been discovered by radial velocity surveys, but this method introduces uncertainties due to its inability to determine the orbital inclination, leaving the true mass – and thus their true nature – unresolved. This highlights the crucial role of astrometric data, helping us distinguish between genuine brown dwarfs and stars.

Aims. This study aims to refine the mass estimates of massive companions to solar-type stars, mostly discovered through radial velocity measurements and subsequently validated using Gαìα DR3 astrometry, to gain a clearer understanding of their true mass and occurrence rates.

Methods. We selected a sample of 31 sources with substellar companion candidates validated by Gaia Data Release (DR3) and with available radial velocities. Using the Gaia DR3 solutions as prior information, we performed an MCMC fit with the available radial velocity measurements to integrate these two sources of data and thus obtain an estimate of their true mass.

Results. Combining radial velocity measurements with Gaia DR3 data led to more precise mass estimations, leading us to reclassify several systems initially labeled as brown dwarfs as low-mass stars. Out of the 32 analyzed companions, 13 have been determined to be stars, 17 are substellar, and two have inconclusive results with the current data. Importantly, using these updated masses, we reevaluated the occurrence rate of brown dwarf companions (13–80 MJup) on close orbits (<10 au) in the CORALIE sample, determining a tentative occurrence rate of 0.8−0.2+0.3%.
Intelligent digital twin – machine learning system for real-time wind turbine wind speed and power generation forecasting
Authors: Tuton Eamonn , Ma Xinhui , Dethlefs Nina
Published: October 2023

Wind power is a key pillar in efforts to decarbonise energy production. However, variability in wind speed and resultant wind turbine power generation poses a challenge for power grid integration. Digital Twin (DT) technology provides intelligent service systems, combining real-time monitoring, predictive capabilities and communication technologies. Current DT research for wind turbine power generation has focused on providing wind speed and power generation predictions reliant on Supervisory Control and Data Acquisition (SCADA) sensors, with predictions often limited to the timeframe of datasets. This research looks to expand on this, utilising a novel framework for an intelligent DT system powered by k-Nearest Neighbour (kNN) regression models to upscale live wind speed forecasts to higher wind turbine hub-height and then forecast power generation. As there is no live link to a wind turbine, the framework is referred to as a “Simulated Digital Twin” (SimTwin). 2019-2020 SCADA and wind speed data are used to evaluate this, demonstrating that the method provides suitable predictions. Furthermore, full deployment of the SimTwin framework is demonstrated using live wind speed forecasts. This may prove useful for operators by reducing reliance on SCADA systems and provides a research and development tool where live data is limited.
Sustainable Farming through Decentralized Energy Systems: Opportunities and barriers
Authors: Agadi Redha , Sakhraoui Khadidja , von Hirschhausen Christian , Kebir Noara
Published: October 2023

Algeria heavily relies on fossil fuels, particularly oil and gas, leading to inadequate energy supply in rural areas. However, the country possesses vast agricultural land and abundant renewable energy resources like solar and wind. Due to the insufficient national electricity grid, rural farmers must resort to expensive and environmentally unfriendly diesel generators to meet their energy needs. To address this issue, decentralised energy systems are proposed as a solution to enhance energy resilience on Algerian farms. These systems can power irrigation pumps, lighting, and other electrical appliances on the farm. Furthermore, surplus energy generated by the PV systems can be sold back to the grid or used to offer paid energy services, creating a new revenue stream for farmers. This study evaluates the potential opportunities for implementing Decentralized and Distributed Renewable Energy Systems (DRES) on farms in Algeria. It will review current policies and regulations for microgrids in the country and present various scenarios for bottom-up energy transformation. This paper will identify the challenges and barriers Algerian farms face in energy, water, and agriculture practices. The findings will demonstrate how DRES can improve energy efficiency, reduce costs, increase the share of renewable energy, and enhance electricity supply reliability in Algeria. The study will provide practical guidance to policymakers and identify opportunities for integrating DRES on farms while suggesting future research directions in sustainable energy.
Comparison Study and Assessment of Thermal Performance and Energy Self-sufficiency of Nearly Zero Energy Building (nZEB) in Two Different Climates
Authors: Idrissi Kaitouni Samir , Bakhouya Mohamed , Ahachad Mohammed , Brigui Jamal
Published: October 2023

The paper presents a comparative study of a nearly zero-energy office building with respect to two different cities located in two different climate zones: a humid continental climate with dry winter, represented by the city of Seoul and a hot semi-arid climate, represented by the city of Benguerir. Obviously, climate is one of the most influential factors affecting indoor thermal comfort, energy demand and energy self-sufficiency of nZEBs. In this study, we first assess the impact of regional climate on the thermal performance, and we explore the influence of the local natural energy sources on the Solar BIPV and PV outputs in the two different cities: Benguerir and Seoul, respectively. And then, we explore the overall energy self-sufficiency of the nZEB for the respective climates. The differences in thermal need and energy self-sufficiency responses were statistically significant. With respect to Benguerir, the thermal energy needs for cooling amount to 71.5 kWh/m²/year, with almost no heating thermal needs and the Energy Balance (EB) reaches 0.88. On the other side, these metrics are around 52.56 kWh/m²/year for the total thermal needs with a share of 43% for heating thermal needs and a yearly EB equals to 0.6 for the nZEB in Seoul. Finally, it is important to mention that the BIPV output share out of the total solar energy output amounts to 57% and 61% for the cities of Seoul and Benguerir, respectively, which highlight the important role of BIPV in reaching advanced levels of energy self-sufficiency.
Expression of 2H, 13C, 15N-labeled NIST-Fab fragment in the methylotrophic yeast Komagataella phaffii for nuclear magnetic resonance studies
Authors: Chao Kinlin L. , O’Dell William B. , Solomon Tsega L. , Brinson Robert G. , Marino John P. , Kelman Zvi
Published: October 2023

Labeling of proteins with deuterium is an essential tool in overcoming size limitations in the application of nuclear magnetic resonance (NMR) spectroscopy to proteins larger than 30 kilodaltons (kDa). A non-originator antigen-binding fragment (Fab) of NIST RM 8671 NISTmAb, so called yNIST-Fab, is a ~ 50 kDa protein, with 5 native disulfide linkages, that can be expressed in properly folded form in methylotrophic Komagataella phaffii (formerly Pichia pastoris). Further, the K. phaffii host can support the production of perdeuterated yNIST-Fab which is necessary to obtain well-resolved TROSY-based tripleresonance NMR spectra for chemical shift assignment of the peptide backbone resonances. Here, we examined growth conditions and effects of media composition to maximize biomass generation and expression yield of the 2H, 13C, 15N-enriched NIST-Fab fragment. Triple-labeled yNIST-Fab with ~93% deuteration reduced the 1HN, 15N and 13C-linewidths in the NMR spectra, allowing sequential NMR assignment of backbone resonance a key step toward sequence-specific structural and dynamic studies of Fab fragments and intact antibodies.
Towards a conceptual design for the moderators of ARGITU: A preliminary neutronics study
Authors: del Moral Octavio G. , Magán Miguel , Sordo Fernando , Villacorta Félix J. , Pérez Mario
Published: October 2023

This work reports on preliminary calculations of potential low-dimensional moderators for the high-current accelerator-driven neutron source (HiCANS) ARGITU. Simulations start with the selection of materials, depending on the neutron energy range to be used for each instrument. Results evaluate the performance of water for thermal moderators to deliver neutrons for thermal instruments, whereas para-H2 and solid methane have been analyzed to deliver cold neutrons. Additionally, alternative concepts like using hybrid moderators (water/liquid methane) or reduced-size cold moderators (reduced-size para-H2) have been scrutinized for their use in bispectral instruments that require a wide range of intermediate neutron energies. The dimensions of the moderators have been refined to improve the neutron yield for the neutron wavelength range selected in each case. After that, a space-efficient layout has been proposed to implement four moderators next to the Be target, linked to a preliminary suite of instruments that these moderators would serve. Although the eventual selection shall consider both the final instrument suite and the phase space volume required for such neutron instruments (that defines their neutron optics features), the results presented here represent a qualitative step towards the conceptual development of the ARGITU neutron source.
The High Brilliance Neutron Source Target Stations
Authors: Zakalek Paul , Achten Richard , Baggemann Johannes , Beßler Yannick , Beule Fabian , Brückel Thomas , Chen Junyang , Ding Qi , El-Barbari Monia , Engels Ralf , Felden Olaf , Gebel Ralf , Grigoryev Kirill , Gutberlet Thomas , Hanslik Romuald , Kamerdzhiev Vsevolod , Kämmerling Peter , Kleines Harald , Li Jingjing , Lieutenant Klaus , Löchte Fynn , Mauerhofer Eric , Paulin Mariano Andrés , Pechenizkiy Ivan , Rücker Ulrich , Schmidt Norberto , Schwab Alexander , Steffens Alexander , Ott Fréderic , Valdau Yury , Vezhlev Egor , Voigt Jörg
Published: October 2023

High Current Accelerator driven Neutron Sources (HiCANS) are a cost-efficient alternative for future large scale neutron facilities. They excel in transforming neutrons released by the primary nuclear reaction into a spectral range usable for applications. In particular, the cost of a target station represents only a minor fraction of the overall construction cost due to the lower energy of the primary neutrons, which requires less shielding. They can be designed to provide optimized pulse and spectral properties for applications in neutron scattering, analytics and imaging experiments. For the High Brilliance neutron Source (HBS) project at Forschungszentrum Jülich, we have developed a modular design that meets the radiation protection requirements while providing sufficient space in its core to adapt the target-moderator-reflector assembly to the different applications. In the following, we present the basic target station design which will be used at HBS for three different realizations with their own instrument suite. All relevant components have been designed, built and tested at the JULIC Neutron Platform which has produced neutrons since December 12th 2022. The simulated performance of a target station shows that the brightnesses of the moderators are in the range of modern research reactors and sub-MW power spallation sources.