bluuebunny/crossref_metadata_2025 huggingface dataset:
Static graph approximations of dynamic contact networks for epidemic forecasting
Authors: Shirzadkhani Razieh , Huang Shenyang , Leung Abby , Rabbany Reihaneh
Published: May 2024

Epidemic modeling is essential in understanding the spread of infectious diseases like COVID-19 and devising effective intervention strategies to control them. Recently, network-based disease models have integrated traditional compartment-based modeling with real-world contact graphs and shown promising results. However, in an ongoing epidemic, future contact network patterns are not observed yet. To address this, we use aggregated static networks to approximate future contacts for disease modeling. The standard method in the literature concatenates all edges from a dynamic graph into one collapsed graph, called the full static graph. However, the full static graph often leads to severe overestimation of key epidemic characteristics. Therefore, we propose two novel static network approximation methods, DegMST and EdgeMST, designed to preserve the sparsity of real world contact network while remaining connected. DegMST and EdgeMST use the frequency of temporal edges and the node degrees respectively to preserve sparsity. Our analysis show that our models more closely resemble the network characteristics of the dynamic graph compared to the full static ones. Moreover, our analysis on seven real-world contact networks suggests EdgeMST yield more accurate estimations of disease dynamics for epidemic forecasting when compared to the standard full static method.
Application of a neural network model in estimation of frictional features of tribofilms derived from multiple lubricant additives
Authors: Noma Hiroshi , Aoki Saiko , Kobayashi Kenji
Published: May 2024

In the field of tribology, many studies now use machine learning (ML). However, ML models have not yet been used to evaluate the relationship between the friction coefficient and the elemental distribution of a tribofilm formed from multiple lubricant additives. This study proposed the possibility of using ML to evaluate that relationship. Friction tests revealed that, calcium tribofilms formed on the friction surface, with the friction coefficient increasing as a result of the addition of OBCS. Therefore, we investigated whether the convolutional neural network (CNN) model could recognize the tribofilms formed from OBCS and classify image data of the elemental distributions of these tribofilms into high and low friction-coefficient groups. The CNN model classifies only output values, and it’s difficult to see how the model has learned. Gradient-weighted class activation mapping (Grad-CAM) was performed using a CNN-based model, and this allowed the visualization of the areas important for classifying elemental distributions into friction coefficient groups. Furthermore, dimension reductions enabled the visualization of these distributions for classification into the groups. The results of this study suggested that the CNN model, the Grad-CAM, and the dimension reductions are useful for evaluating frictional features of tribofilms formed from multiple lubricant additives.
Northwestern Pacific Oceanic circulation shaped by ENSO
Authors: Wang You-Lin , Jin Fei-Fei , Wu Chau-Ron , Qiu Bo
Published: May 2024

The intricate currents of the Northwest Pacific Ocean, with strong manifestations along the westside rim, connect tropical and subtropical gyres and significantly influence East Asian and global climates. The El Niño/Southern Oscillation (ENSO) originates in the tropical Pacific Ocean and disrupts this ocean circulation system. However, the spatiotemporal dependence of the impact of ENSO events has yet to be elucidated because of the complexities of both ENSO events and circulation systems, as well as the increased availability of observational data. We thus combined altimeter and drifter observations to demonstrate the distinct tropical and subtropical influences of the circulation system on ENSO diversity. During El Niño years, the North Equatorial Current, North Equatorial Countercurrent, Mindanao Current, Indonesian Throughflow, and the subtropical Kuroshio Current and its Extension region exhibit strengthening, while the tropical Kuroshio Current weakens. The tropical impact is characterized by sea level changes in the warm pool, whereas the subtropical influence is driven by variations in the wind stress curl. The tropical and subtropical influences are amplified during the Centra Pacific El Niño years compared to the Eastern Pacific El Niño years. As the globe warms, these impacts are anticipated to intensify. Thus, strengthening observation systems and refining climate models are essential for understanding and projecting the enhancing influences of ENSO on the Northwest Pacific Oceanic circulation.
An empirical study on social network analysis for small residential communities in Gangwon State, South Korea
Authors: Jeong Dae-hyun , Lee Sang-Kyu , Ahn Moo-Eob , Kim Sang Mi , Ryu Ohk-Hyun , Park Kyung Suk , Shin Se Gye , Han Jae Hyun
Published: May 2024

Social Network Analysis (SNA) provides a dynamic framework for examining interactions and connections within networks, elucidating how these relationships impact behaviors and outcomes. This study targeted small residential communities in Gangwon State, South Korea, to explore network formation theories and derive strategies for enhancing health promotion services in rural communities. Conducted in 12 small residential areas, the survey led to a network categorization model distinguishing networks as formal, informal, or non-existent. Key findings demonstrated that demographic and socio-economic factors, specifically age, income, living environment, leisure activities, and education level, significantly influence network formation. Importantly, age, environmental conditions, satisfaction with public transportation, and walking frequency were closely associated with the evolution of formal networks. These results highlight the importance of early community network assessments, which must consider distinct network traits to develop effective health promotion models. Utilizing SNA early in the assessment process can improve understanding of network dynamics and optimize the effectiveness of health interventions.
Let there be Skyglow—light pollution from a large outdoor music festival (Lollapalooza Berlin 2016)
Authors: Jechow Andreas
Published: May 2024

Live music is often linked to elaborate light shows, particularly at large outdoor music festivals. However, artificial light at night is one form of environmental pollution, light pollution, and because outdoor festivals emit a substantial amount of artificial light into the environment, they are a potential source of light pollution. So far, no studies that quantified the impact of such festivals on urban light pollution and skyglow exist. Here, the light pollution produced by a major rock festival (Lollapalooza Berlin 2016 with 70,000 visitors per day in an urban park) was investigated with ground-based radiometry and night-time light data. A small night-sky radiometer installed near the main stages and a calibrated digital camera from a nearby observation spot inside of the park were used to quantify changes in night sky brightness and direct light emissions within the park. The impact of the music festival on the urban skyglow was indeed measurable. Zenith luminance increased locally by up to a factor of 8 and illuminance increased by about 50% at the observation spot within the park. The radiance detected by night-time satellite was also increased during the festival. This is the first time, that light pollution from such a major rock music event was quantified.
One-year outcomes and safety assessment of faricimab in treatment-naïve patients with neovascular age-related macular degeneration in Japan
Authors: Mukai Ryo , Kataoka Keiko , Tanaka Koji , Miyara Yasunori , Maruko Ichiro , Nakayama Makiko , Watanabe Yuto , Yamamoto Akiko , Wakatsuki Yu , Onoe Hajime , Wakugawa Sorako , Terao Nobuhiro , Hasegawa Taiji , Kawai Moeko , Maruko Ruka , Itagaki Kanako , Honjo Jyunichiro , Okada Annabelle A. , Mori Ryusaburo , Koizumi Hideki , Iida Tomohiro , Sekiryu Tetsuju
Published: May 2024

This multicentre retrospective study evaluated the 1-year outcomes and safety profile of faricimab in treatment-naïve patients with neovascular age-related macular degeneration (nAMD). Fifty-five patients (57 eyes) underwent loading therapy comprising three monthly faricimab injections. If dryness was achieved by the third month, subsequent treat-and-extend (TAE) follow-up continued at a minimum 8-week interval thereafter. If wet macula persisted at the third month, a fourth dose was administered, followed by the TAE regimen. After 1 year, improvements in visual acuity (0.44 ± 0.46 [baseline] to 0.34 ± 0.48; p < 0.01) and central foveal thickness (326 ± 149 [baseline] to 195 ± 82 μm; p < 0.0001) were significant. Dry macula, characterised by the absence of intraretinal or subretinal fluid, was achieved in 65% of cases. Treatment intervals varied, ranging from 8 to 16 weeks, with 44% of eyes extending to a 16-week interval, followed by 33% at 8 weeks, 16% at 12 weeks, 5% at 14 weeks, and 2% at 10 weeks. Notably, 50% of the polypoidal choroidal vasculopathy patients exhibited complete regression of polypoidal lesions between 12 and 15 months. Faricimab treatment in nAMD patients induced significant improvements in central vision and retinal morphology. Two cases of retinal pigment epithelial tears and one case of iritis were reported as ocular complications.
Inhibitory mechanisms of docosahexaenoic acid on carbachol-, angiotensin II-, and bradykinin-induced contractions in guinea pig gastric fundus smooth muscle
Authors: Xu Keyue , Shimizu Miyuki , Yamashita Toma , Fujiwara Mako , Oikawa Shunya , Ou Guanghan , Takazakura Naho , Kusakabe Taichi , Takahashi Keisuke , Kato Keisuke , Yoshioka Kento , Obara Keisuke , Tanaka Yoshio
Published: May 2024

We studied the inhibitory actions of docosahexaenoic acid (DHA) on the contractions induced by carbachol (CCh), angiotensin II (Ang II), and bradykinin (BK) in guinea pig (GP) gastric fundus smooth muscle (GFSM), particularly focusing on the possible inhibition of store-operated Ca2+ channels (SOCCs). DHA significantly suppressed the contractions induced by CCh, Ang II, and BK; the inhibition of BK-induced contractions was the strongest. Although all contractions were greatly dependent on external Ca2+, more than 80% of BK-induced contractions remained even in the presence of verapamil, a voltage-dependent Ca2+ channel inhibitor. BK-induced contractions in the presence of verapamil were not suppressed by LOE-908 (a receptor-operated Ca2+ channel (ROCC) inhibitor) but were suppressed by SKF-96365 (an SOCC and ROCC inhibitor). BK-induced contractions in the presence of verapamil plus LOE-908 were strongly inhibited by DHA. Furthermore, DHA inhibited GFSM contractions induced by cyclopiazonic acid (CPA) in the presence of verapamil plus LOE-908 and inhibited the intracellular Ca2+ increase due to Ca2+ addition in CPA-treated 293T cells. These findings indicate that Ca2+ influx through SOCCs plays a crucial role in BK-induced contraction in GP GFSM and that this inhibition by DHA is a new mechanism by which this fatty acid inhibits GFSM contractions.
Development of an individualized model for predicting postoperative delirium in elderly patients with hepatocellular carcinoma
Authors: Yan Mingfang , Lin Zhaoyan , Zheng Huizhe , Lai Jinglan , Liu Yuming , Lin Zhenmeng
Published: May 2024

Postoperative delirium (POD) is a common complication in older patients with hepatocellular carcinoma (HCC) that adversely impacts clinical outcomes. We aimed to evaluate the risk factors for POD and to construct a predictive nomogram. Data for a total of 1481 older patients (training set: n=1109; validation set: n=372) who received liver resection for HCC were retrospectively retrieved from two prospective databases. The receiver operating characteristic (ROC) curve, calibration plot, and decision curve analysis (DCA) were used to evaluate the performance. The rate of POD was 13.3% (148/1109) in the training set and 16.4% (61/372) in the validation set. Multivariate analysis of the training set revealed that factors including age, history of cerebrovascular disease, American Society of Anesthesiologists (ASA) classification, albumin level, and surgical approach had significant effects on POD. The area under the ROC curves (AUC) for the nomogram, incorporating the aforementioned predictors, was 0.798 (95% CI 0.752–0.843) and 0.808 (95% CI 0.754–0.861) for the training and validation sets, respectively. The calibration curves of both sets showed a degree of agreement between the nomogram and the actual probability. DCA demonstrated that the newly established nomogram was highly effective for clinical decision-making. We developed and validated a nomogram with high sensitivity to assist clinicians in estimating the individual risk of POD in older patients with HCC.
Mixture composition design of magnesium oxychloride cement-stabilized crushed stone materials applied as a pavement base
Authors: Zhang Huzhu , Luo Aolin , Sun Lijuan
Published: May 2024

Conventional binding materials, such as silicate cement and lime, present high energy consumption, pollution, and carbon emissions. Therefore, we utilize crushed stone as a stabilization material. Magnesium oxychloride cement (MOC) is modified and used as an inorganic admixture owing to its eco-friendly nature and low carbon content. We analysed the control indicators of an integrated design of MOC-stabilized crushed stone by conducting unconfined compressive strength and water-resistance tests. The optimum mixing composition of the MOC-stabilized crushed stone was determined through the response surface methodology. We determined the best approach and dosage for improving the water resistance of MOC-stabilized crushed stone by comparing the effects of four modification methods: fly ash, citric acid + silica fume, phosphoric acid + waterborne polyurethane, and dihydrogen phosphate potassium salt. We also perform a comparison with 5% ordinary silicate cement-stabilized crushed stone. The results indicate that the MOC-stabilized crushed stone exhibits a rapid increase in strength in the early stage, but this rate reduces after 28 days. The mixing design employs the 4-day unconfined compressive strength and 1-day water resistance coefficient as the technical indicators. The best mixing composition includes a 4.27% MOC dosage and a molar ratio of MgO/MgCl2 of 5.85. We use 1% citric acid + 10% silica fume in equal amounts to replace the MOC dopant method for composite modification of the MOC stabilized crushed stone. Consequently, the 1-day water resistance coefficient before water immersion is significantly increased from 0.78 to 0.91 and its 4-day unconfined compressive strength is only reduced by 0.10 MPa. This significantly improves the water resistance of the MOC-stabilized crushed stone and ensures that its strength remains unaffected, which is the optimal modification method. However, this method must ensure that a small amount of citric acid and silica fume are uniformly distributed in the MOC-stabilized crushed stone, which increases the construction difficulty of the road base.
Public perception of cultural ecosystem services in historic districts based on biterm topic model
Authors: Pan Ying , Nik Hashim Nik Hazwani , Goh Hong Ching
Published: May 2024

Historic districts are integral components of urban space, possessing diverse ecosystems that can offer various cultural services to the public. Urbanization and tourism development have led to the degradation of the ecological landscapes within historic districts, impacting sustainable development. Incorporating Cultural Ecosystem Services (CES) into the environmental research of historic districts can meet people's spiritual needs, enhance intangible benefits for humanity, and promote the conservation of the ecological environment within historic districts. Therefore, this study conducted perceptual quantification research on CES in four typical historic districts in Fuzhou City, crawling the online comment data through Python, mined its potential themes using Biterm Topic Model (BTM), and extracted and categorized the indicators of CES of historic districts by combining with expert consultation; meanwhile, the satisfaction of CES of historic districts is further explored with the help of two methods, namely, sentiment analysis and Importance-Performance analysis (IPA), and summarized the public perception of CES of historic districts. The results of the study show that: (1) the dimensions of public perception of CES in urban historic districts include Cultural Heritage, Leisure Tourism, Aesthetic Enjoyment, Spiritual Fulfillment, Inspiration, and Science Education six indicators, of which Leisure Tourism is most easily perceived by the public, but its satisfaction is not high; (2) the public's perception of positive emotions towards the CES of historic districts in Fuzhou is greater than negative emotions, with positive emotions accounting for 80.61%; (3) the public's overall satisfaction with the CES of Fuzhou's historic districts is high, and according to the final analysis results of the IPA, the four historic districts of Fuzhou are respectively proposed to improve the opinions. Based on big data, this study explores the public perception characteristics of CES in Fuzhou historic districts to promote its sustainable development and improve public well-being, which is of great significance to protecting the ecological environment of historic districts and improving the quality of cultural services.
Comment on “Effects of topological constraints on linked ring polymers in solvents of varying quality” by Z. A. Dehaghani, I. Chubak, C. N. Likos and M. R. Ejtehadi, Soft Matter, 2020, 16, 3029
Authors: Guo Hao , Tsige Mesfin
Published: May 2024

The θ-temperature of linear, ring, and poly[n]catenane polymers as characterized by varying LJ cutoff, rc values. Higher rc values correspond to lower θ-temperature.
Intercalation of ferrocene into vanadyl phosphate by density functional theory
Authors: Liu Yuan , Ta An T. , Ullberg R. Seaton , Liu Jiahui , Talham Daniel R. , Phillpot Simon R.
Published: May 2024

DFT reveals optimal configuration of ferrocene intercalation into VOPO4, and it also shows ferrocene prefers intercalating into VOPO4 at V sites, driven by charge transfer and enhanced van der Waals forces.
A bioactive and biodegradable vitamin C stearate-based injectable hydrogel alleviates experimental inflammatory arthritis
Authors: Ali Aneesh , Jori Chandrashekhar , Kanika  , Kumar Ajay , Vyawahare Akshay , Kumar Jattin , Kumar Bhuvnesh , Ahmad Anas , Fareed Mohammad , Ali Nemat , Navik Umashanker , Khan Rehan
Published: May 2024

9-aminoacridine SAA hydrogel suppresses the disease severity in experimental Rheumatoid arthritis.
Na/Mo co-doped PbTiO3 for photocatalytic water oxidation and Z-scheme overall water splitting under visible light
Authors: Qi Haozhi , Kang Yuyang , Qiu Jianhang , Zhang Wenyu , Ma Shangyi , Wang Lianzhou , Liu Gang
Published: May 2024

Na/Mo co-doping introduces quasi-continuous energy levels under the CBM of PbTiO3. The prepared sample shows an absorption edge extended to 550 nm with excellent water oxidation activity and Z-scheme overall water splitting under visible light.
Photodoping-based broadband photochromism of semiconductor nanocrystals under air operated by a supramolecular gel
Authors: Nakai Yuki , Nagai Yuki , Okayasu Yoshinori , Kobayashi Yoichi
Published: May 2024

We herein report photodoping and thereby photochromism of semiconductor nanocrystals under air in a temperature-responsive supramolecular gel and its back reactions induced by direct heating or near-infrared photothermal conversion.
Exploring Si-centered phthalocyanine as a single atom catalyst for N2O reduction: a DFT study
Authors: Khan Adnan Ali , Alsalhi Sarah Abdullah , Rahman Ata Ur
Published: May 2024

A Si-centered phthalocyanine system is investigated as a single-atom catalyst for the N2O reduction. The catalyst shows high reactivity towards N2O reduction and CO oxidation.
Importance sampling within configuration space integration for adsorbate thermophysical properties: a case study for CH3/Ni(111)
Authors: Blöndal Katrín , Badger Kirk , Sargsyan Khachik , Bross David H. , Ruscic Branko , Goldsmith C. Franklin
Published: May 2024

A new strategy is presented for computing anharmonic partition functions for the motion of adsorbates relative to a catalytic surface. Importance sampling is compared with conventional Monte Carlo.
Amine-catalyzed substitution in CpFe(CO)2I by phosphine and bisphosphine ligands
Authors: Kosińska Aneta , Jamroz Daria , Rybarczyk-Pirek Agnieszka J. , Wojtulewski Sławomir , Palusiak Marcin , Zakrzewski Janusz , Rudolf Bogna
Published: May 2024

Amines significantly accelerate iodide substitution in CpFe(CO)2I with phosphines.
Aldehyde-containing clays: a sustainable approach against the olive tree pest, Bactrocera oleae
Authors: Econdi Stefano , Bisio Chiara , Carniato Fabio , Marchesi Stefano , Paul Geo , Gargani Elisabetta , Cutino Ilaria , Caselli Alessandro , Guidotti Matteo
Published: May 2024

Aldehyde-containing bentonite natural clays as a method for the long-term release of the bioactive ingredient, reducing the infestation by olive fruit fly.
Exploring the BSA- and DNA-binding, cytotoxicity, and cell cycle evaluation of ternary copper(ii)/diimine complexes with N,N-dibenzyl-N′-benzoylthiourea as promising metallodrug candidates
Authors: Gonçalves Guilherme R. , Teixeira Tamara , Bezerra Daniel P. , Soares Milena B. P. , Silva Valdenizia R. , Santos Luciano de S. , Batista Alzir A. , Oliveira Katia M. , Correa Rodrigo S.
Published: May 2024

Four new copper(ii) complexes were synthesized and characterized with the general formula [Cu(N–N)(Th)(NO3)], where N–N corresponds to the N-heterocyclic ligands and Th represents the N,N-dibenzyl-N′-benzoylthiourea.
Modelling biodegradability based on OECD 301D data for the design of mineralising ionic liquids
Authors: Amsel Ann-Kathrin , Chakravarti Suman , Olsson Oliver , Kümmerer Klaus
Published: May 2024

Five fragment-based QSBR models for ionic liquids were developed on MultiCASE's FlexFilters platform to support biodegradability assessment and designing mineralising ionic liquids.
Sustainable aviation fuel from prehydrolysis liquors
Authors: Lebedeva Daria , Schick Lars William , Cracco Daniel , Sangsuwan Withsakorn , Castiella-Ona Gonzalo , Silva Dagoberto O. , Marson Alessandro , Svensson Grape Erik , Inge A. Ken , Rossi Liane M. , Subbotina Elena , Manzardo Alessandro , Samec Joseph S. M.
Published: May 2024

Maximizing products of high value and minimizing incineration of side-streams is key to realize future biorefineries.
Visible light induced photocatalytic removal of an organic dye using metal doped iron oxide based catalysts derived from red mud
Authors: Chakraborty Adwitiya , Samajdar Soumita , Ghosh Srabanti , Naskar Milan Kanti
Published: May 2024

Comprehensive strategies with the development of advanced materials are required for the remediation of water and land pollution to protect the environment and human health.
Stimuli-responsive fluorochromic organic salt
Authors: Kohli Anjum H. , Malik Asif A. , Ganie Arshid A. , Dar Aijaz A.
Published: May 2024

Solid-state emission tuning in an organic salt based on a sulfonate–pyridinium synthon has been realized, and the salt has been reported to exhibit multi-stimuli fluorochromic response towards fumes, grinding, and heat.
Degradation of tetracycline hydrochloride by semi-embedded CdS/tubular g-C3N4 heterojunction photocatalysts loaded with Ni nanoparticles
Authors: Wu Fangzhou , Chen Xiyu , Han Jun , Zhao Lu , Wang Wei
Published: May 2024

Semi-embedded CdS/tubular g-C3N4 (CdS/TCN) heterojunction photocatalysts were designed and prepared. The loaded Ni nanoparticles enhance the stability of the photocatalysts. Ni-CdS/TCN shows excellent photodegradation of tetracycline hydrochloride.
Moisture-resistant radical anions of quinoxalin-2(1H)-ones in aerial dioxygen activation
Authors: Sau Sudip , Sahoo Sathi , Manna Anupam , Mal Prasenjit
Published: May 2024

In situ generation of a stable radical anion under ambient conditions, showcasing its efficacy in activating molecular oxygen to its corresponding reactive oxygen species (ROS) within the context of quinoxaline-2(1H)-one oxygenation.
Green synthesis of ZnO-TiO2/RGO nanocomposites usingSenna surattensisextract: a novel approach for enhanced anticancer efficacy and biocompatibility
Authors: Alaizeri ZabnAllah M. , Alhadlaq Hisham A. , Aldawood Saad , Abduh Naaser A. Y.
Published: May 2024

The aim of the present study is to enhance the anticancer and biocompatibility performance of TiO2and ZnO nanoparticles, and, ZnO-TiO2and ZnO-TiO2/reduced graphene oxide nanocomposites, against two types of human cancer (HCT116) and normal (HUVCE) cells.
Efficient optimization of the synthetic conditions for aerosol-assisted high-quality mesoporous CeO2 powders
Authors: Kimura Tatsuo
Published: May 2024

The molecular structure of PS-b-PEO is quickly screened by spin-coating a precursor solution optimized for obtaining dried CeO2 powders, thereby successfully yielding highly porous CeO2 powders via temperature-controlled spray-drying.
First-principles study of molecular hydrogen binding to heme in competition with O2, NO and CO
Authors: Ri Yun-Kyong , Kim Song-Ae , Kye Yun-Hyok , Jong Yu-Chol , Kang Myong-Su , Yu Chol-Jun
Published: May 2024

First-principles calculations of the structural properties, binding strengths, reaction energies and kinetics for iron-porphyrin complexes with hydrogen atoms and diatomic molecules, including H2, O2, NO and CO, were performed with the B3LYP and 6-311G basis sets.
Investigation of α-Fe2O3 catalyst structure for efficient photocatalytic fenton oxidation removal of antibiotics: preparation, performance, and mechanism
Authors: Wei Juan , Yan Chaoqun , Chen Yi , Cheng Zhiliang , Qiu Facheng , Tang Congming , Yang Cheng , Wei Zejun , Du Anke
Published: May 2024

Currently, the surface structure modification of photocatalysts is one of the effective means of enhancing their photocatalytic efficiency.
Multi-role conductive hydrogels for flexible transducers regulated by MOFs for monitoring human activities and electronic skin functions
Authors: Khan Mansoor , Rahman Tanzil Ur , Shah Luqman Ali , Akil Hazizan Md , Fu Jun , Yoo Hyeong-Min
Published: May 2024

Metal organic frameworks (MOFs) have garnered significant attention in the development of stretchable and wearable conductive hydrogels for flexible transducers.
Towards high-throughput exciton diffusion rate prediction in molecular organic semiconductors
Authors: Weal Geoffrey R. , Sutton Joshua J. , Wechwithayakhlung Chayanit , Packwood Daniel M. , Hodgkiss Justin M. , Hume Paul A.
Published: May 2024

Accurate property prediction is paramount to high-throughput screening of organic photovoltaics. Here, the accuracy of predicting exciton diffusion computationally is examined, and several simplifications towards high-throughput screening are explored.
Sensory science
Authors: Liston Adrian
Published: May 2024

Professor Adrian Liston, FMedSci, FRSB, is Professor of Pathology at the University of Cambridge. His research team works on systems immunology and tissue immunology, with a particular focus on understanding and treating neuroinflammation. Liston also writes extensively on career development and on the implementation of positive research culture practices. Sensory science was part of a broader effort by the laboratory to incorporate innovative approaches to expand the impact of science communication.
FLAME: Fitting Lyαabsorption lines using machine learning
Authors: Jalan P. , Khaire V. , Vivek M. , Gaikwad P.
Published: May 2024

We introduce FLAME, a machine-learning algorithm designed to fit Voigt profiles to H ILyman-alpha (Lyα) absorption lines using deep convolutional neural networks. FLAME integrates two algorithms: the first determines the number of components required to fit Lyαabsorption lines, and the second calculates the Doppler parameterb, the H Icolumn densityNHI, and the velocity separation of individual components. For the current version of FLAME, we trained it on low-redshift Lyαforests observed with the far-ultraviolet gratings of the Cosmic Origin Spectrograph (COS) on board theHubbleSpace Telescope (HST). Using these data, we trained FLAME on ∼106simulated Voigt profiles – which we forward-modeled to mimic Lyαabsorption lines observed with HST-COS – in order to classify lines as either single or double components and then determine Voigt profile-fitting parameters. FLAME shows impressive accuracy on the simulated data, identifying more than 98% (90%) of single (double) component lines. It determinesbvalues within ≈ ± 8 (15) km s−1and logNHI/cm2values within ≈ ± 0.3 (0.8) for 90% of the single (double) component lines. However, when applied to real data, FLAME’s component classification accuracy drops by ∼10%. Nevertheless, there is reasonable agreement between thebandNHIdistributions obtained from traditional Voigt profile-fitting methods and FLAME’s predictions. Our mock HST-COS data analysis, designed to emulate real data parameters, demonstrates that FLAME is able to achieve consistent accuracy comparable to its performance with simulated data. This finding suggests that the drop in FLAME’s accuracy when used on real data primarily arises from the difficulty in replicating the full complexity of real data in the training sample. In any case, FLAME’s performance validates the use of machine learning for Voigt profile fitting, underscoring the significant potential of machine learning for detailed analysis of absorption lines.
Branching model with state dependent offspring distribution for Chlamydia spread
Authors: Kevei Péter , Szalai Máté
Published: May 2024

Chlamydiae are bacteria with an interesting unusual developmental cycle. Initially, a single bacterium in its infectious form (elementary body, EB) enters the host cell, where it converts into its dividing form (reticulate body, RB), and divides by binary fission. Since only the EB form is infectious, before the host cell dies, RBs start to convert into EBs. After the host cell dies RBs do not survive. We model the population growth by a 2-type discrete-time branching process, where the probability of duplication depends on the state. Maximizing the EB production leads to a stochastic optimization problem. Simulation study shows that our novel model is able to reproduce the main features of the development of the population.
Kopienzahl der mitochondrialen DNA als Prognosemarker
Authors: Kretzschmar Alexander
Published: May 2024

Zum Einfluss der Kopienzahl der mitochondrialen DNA (mtDNA) auf das Gesamtüberleben (OS) bei Patienten mit einem Glioblastom ist bislang wenig bekannt. Eine französische Arbeitsgruppe ging dieser Frage jetzt bei 232 Patienten (median 56,6 Jahre) mit primärem Glioblastom nach. Bei den jüngeren Patienten war das OS in der Gruppe mit hoher mtDNA-Kopienzahl signifikant höher als mit niedriger mtDNA-Kopienzahl. Bei Patienten über 56,3 Jahre war eine hohe mtDNA-Kopienzahl dagegen mit einem signifikant niedrigeren OS im Vergleich zu einer niedrigen Kopienzahl der mtDNA assoziiert. Eine Methylierung der Gene POLG und TFAM beeinflusste die Regulierung der mtDNA-Kopienzahl nicht.
OPTIMA-Projekt: KI soll Behandlung häufiger Krebserkrankungen verbessern
Authors: Maugg Doris
Published: May 2024

Die Auswahl der bestmöglichen Behandlungsstrategie für Erkrankte mit Prostata-, Brust- und Lungenkarzinom ist komplex, weil regelmäßig neue Therapieoptionen hinzukommen und die Menge an Real-World-Daten rasant ansteigt. Ein neues Forschungsprojekt eines paneuropäischen Konsortiums möchte nun unter Nutzung künstlicher Intelligenz (KI) eine evidenzbasierte Leitlinien getriebene Plattform entwickeln. In diese sollen Real-World-Daten einfließen, die den Vorgaben der Europäischen Union der General Data Protection Regulation (GDPR) entsprechen. Die neue Plattform OPTIMA soll in Zukunft Therapieentscheidungen auf höchstem Niveau ermöglichen.
Augmented Reality hilft bei der Gliomresektion
Authors: Krome Susanne
Published: May 2024

Die Maximierung der Tumorentfernung bis an die funktionellen Grenzen ist zentral für den klinischen Nutzen mit verlängertem Überleben, Effektivitätssteigerung adjuvanter Therapien und verzögerter anaplastischer Transformation. Bei der Augmented Reality (AR) handelt es sich um eine computergestützte Erweiterung der Realitätswahrnehmung, die auch in der Gliomchirurgie Anwendung findet. Eine systematische Literaturrecherche fasste den aktuellen Stand von Augmented Reality in der Gliomchirurgie und deren Potenzial für die Zukunft zusammen.
Kommentar zu: Positive Effekte von Probiotika bei Leberzirrhose
nachgewiesen
Authors: Rayes Nada
Published: May 2024

Eine wachsende Anzahl an tierexperimentellen und klinischen Studien zeigt, dass
das intestinale Mikrobiom einen wichtigen Einfluss auf die Entstehung und den
Verlauf einer Lebererkrankung hat. Unklar ist jedoch weiterhin, ob die
Modulation des Mikrobioms durch Gabe von Pro- und Präbiotika (Synbiotika) diesen
Verlauf positiv beeinflussen kann. Die vorliegende Analyse ist eine der wenigen
bisher publizierten randomisierten, doppelblinden, Placebo-kontrollierten
Studien zu diesem Thema. Da die Anzahl der Studienpatienten (n+=+215) sehr hoch
und das Studienprotokoll sehr detailliert und umfassend ist, sind die Ergebnisse
aussagekräftig: Eine sechswöchige orale Gabe der probiotischen Kombination VSL#3
führte bei Patienten auf der Warteliste für eine Lebertransplantation zu einer
Verbesserung des Ernährungszustandes, gemessen an validierten Parametern wie
u. a. dem subjective global assessment (SGA). Auch auf die Leberfunktion
(Albumin, Bilirubin, Child-Pugh-Score, Aszitesmenge, hepatische Enzephalopathie)
wirkte sich die Therapie positiv aus. Es wäre interessant zu erfahren, ob
zwischen beiden Gruppen ein Unterschied hinsichtlich der Inzidenz von
bakteriellen Infektionen bestand, da Probiotika in einigen Studien die Rate an
Infektionen senken konnten 1. Infektionen
wie die spontan bakterielle Peritonitis führen wiederum zu einer
Verschlechterung der Leberfunktion und der Prognose der Patienten vor
Lebertransplantation 2. Schade ist
weiterhin, dass die Autoren Patienten mit cholestatischen Erkrankungen
ausgeschlossen haben, weil gerade diese Gruppe häufig Infektionen entwickelt. Im
Vergleich zu anderen Untersuchungen fällt auf, dass 90+% der Patienten männlich
waren und insgesamt nur ein Patient eine schwere Mangelernährung (SGA Grad C)
vor Therapiebeginn aufwies.
Liebe Leserinnen und Leser,
Authors: Bischoff Stephan C.
Published: May 2024

Sie halten das Kongressheft in der Hand, das neben den üblichen Inhalten Zugang zu
Abstracts zum Kongress erlaubt (über einen QR-Code auf der Titelseite). Das Programm
der diesjährigen Tagung „ernährung 2024“ enthält verglichen mit früheren Jahren
wenig Wissenschaft und wenig Ernährungsmedizin, stattdessen viel zu
Versorgungsstrukturen, Ernährungsorganisation und -fortbildung mit besonderem
Schwerpunkt auf Zukunftsthemen wie „Planetary Health“. Ich hoffe, dass sich viele
dafür interessieren.
Datopotamab-Deruxtecan als neue Option
Authors: Arnheim Katharina
Published: May 2024

Vorbehandelte Frauen mit einem hormonrezeptorpositiven (HR-positiven) Brustkrebs profitieren von dem Antikörper-Wirkstoff-Konjugat (ADC) Datopotamab-Deruxtecan mit einer signifikanten Verlängerung des progressionsfreien Überlebens (PFS).
Transient Myeloproliferative Disorder in a Neonate without Down Syndrome—A Rare Case Report and Review of the Literature
Authors: Menon Kizhakke Vellatt Devaki , Jayaraman Dhaarani , Amuthan Shwetha , Balakrishnan Umamaheswari , Koshy Teena , Subramanian Arun Kumar , Scott Julius Xavier
Published: May 2024

Transient myeloproliferative disorder (TMD) is a self-limiting disorder characteristically seen in neonates with Down syndrome with or without somatic mosaicism. Trisomy-21 limited to the hematopoietic lineage alone has been described; awareness of which is very important for appropriate evaluation and counseling in phenotypically normal children.

We report a newborn with TMD who presented at birth with intracranial bleed secondary to thrombocytopenia. Peripheral smear showed 10% blasts and flow cytometry further revealed myeloid blasts of megakaryocytic lineage. The child had no phenotypic features of Down syndrome.

Cytogenetic analysis (fluorescence in situ hybridization) and the conventional karyotyping from peripheral blood showed trisomy-21 in blast cells and the findings completely cleared with peripheral clearance of blasts. The possibility of Down syndrome with mosaicism was considered, however, repeat conventional karyotyping from peripheral blood at D36 and D60 of life was normal, suggesting the gain of chromosome 21 was restricted to the TMD clones.

The child was supported with irradiated platelet transfusions and adequate hydration. Spontaneous resolution with resolution of cytopenias and peripheral clearance of blasts were noted from D10 of life. The child is neurologically normal and growing well.

Very few reports of TMD in newborn babies without Down syndrome have been described in the literature. Awareness about the diagnostic entity of TMD even without Down syndrome would help in appropriate management and counseling.
Controllable carrier transfer modulation of ambipolar van der Waals semiconductors toward forksheet FETs
Authors: Li Dong , Qi Ruijuan , Zhu Pengfei , Wang Jun , Zhang Jinzhong , Li Jun , Zeng Longhui , Li Mengjiao , Hu Zhigao
Published: May 2024

The imperative for continuous device miniaturization has heightened the need for logic reconfigurability due to its benefits in circuit design simplification and process optimization. Van der Waals ambipolar transistors, notable for their inherent reconfigurable characteristics, have garnered significant interest for their potential to revolutionize information electronics. Nevertheless, as the semiconductor thickness approaches the 3-nm mark, precise modulation of electrical polarity presents a considerable challenge as minor variations in thickness can lead to significant electrical disparities. Here, we introduce a silicon backend process-compatible approach by employing surface charge transfer doping to skillfully adjust the polarity in ambipolar transistors. This universal method can achieve a controllable p-type doping effect and good electrical symmetry in ambipolar semiconductors. Through careful calibration of the MoO3 dopant layer thickness, we significantly enhance the hole mobility in doped WSe2 field-effect transistors (FETs), increasing it from 8 to 100 cm2 V−1 s−1, surpassing the performance of most non-silicon p-type semiconductors. A thorough temperature-dependent doping characterization elucidates the deeper traps-induced Schottky barrier variation for hole transport, and a reduction in current fluctuation for electron transport in WSe2/MoO3 FETs. Leveraging the precision in electrical polarity control, we demonstrate a complementary logic inverter by integrating two doped ambipolar FETs on a single monolithic channel. This advancement paves the way for quasi-forksheet structures and underscores the benefits in evolving advanced processing technologies, steering toward scalable, cost-effective, and efficient electronic device fabrication.
Cysteine-induced growth of jagged gold bipyramids from penta-twinned nanorod seeds
Authors: Hu Jianwei , Li Lingzhi , Zou Yu , Fan Zhaochuan , Jiang Jiang
Published: May 2024

The understanding on the growth mechanism of complex gold nanostructures both experimentally and theoretically can guide their design and fabrication toward various applications. In this work, we report a cysteine-directed overgrowth of penta-twinned nanorod seeds into jagged gold bipyramids with discontinuous stepped {hhk} facets. By monitoring the growth process, we find that {hhk} facets with large k/h values (∼7) are formed first at two ends of the nanorods, followed by the protrusion of the middle section exposing {hhk} facets with smaller indices (k/h ∼ 2–3). Molecular dynamics simulations indicate that the strong adsorption of cysteine molecules on {110} facets is likely responsible for the formation of stepped {hhk} facets, and the stronger adsorption of cysteine molecules on {hhk} facets with smaller k/h compared to that on {hhk} facets with larger k/h is a possible cause of the discontinuity of {hhk} facets at the middle of gold bipyramids. The obtained jagged gold bipyramids display large field enhancement under illumination due to their sharp nanostructures, demonstrating their application potentials in surface-enhanced spectroscopy and catalysis.
How does the operating bandwidth of non-foster negative capacitor affect its stability properties?
Authors: Zanic Dominik , Krois Igor , Hrabar Silvio
Published: May 2024

The comparative analysis of the stability properties of three generic types of negative non-Foster capacitors (ideal non-dispersive type, low-pass type, and band-pass type) is presented. It is shown that the range of external RC loads that ensure stable operation for a band-pass negative capacitor significantly exceeds the ranges required for both a low-pass negative capacitor and an ideal dispersionless negative capacitor. Furthermore, the rigorous inequality is derived, which connects the operating bandwidth and a range of permissible external loads, thus enabling a straightforward design of practical stable non-Foster systems. Finally, the RF hardware demonstrator (100 kHz–100 MHz) of the band-pass negative capacitor was fabricated, and all measurement results were found to be in very good agreement with the theoretical predictions.
Evolution of structural dynamics in cesium lead halide perovskite colloidal nanocrystals from temperature-controlled synthesis
Authors: Adhikari Gopi , Zhang Bo , Guo Yinsheng
Published: May 2024

Halide perovskite nanocrystals are at the forefront of materials research due to their remarkable optoelectronic properties and versatile applications. While their lattice structure and optical properties have been extensively investigated for the structure–property correlation, their lattice dynamics, the physical link between the lattice structure and optoelectronic properties, has been much less visited. We report the evolution of structural dynamics of a series of cesium lead halide perovskite nanocrystals whose size and morphology are systematically varied by synthesis temperature. Low-frequency Raman spectroscopy uncovers the nanocrystals’ structural dynamics, including a relaxational spectral continuum from ligand librations and a phonon spectrum evolving with nanocrystal size. As the size of nanocrystals increases, their phonon spectrum becomes more intense, and their spectral weights redistribute with new first- and second-order modes being activated. The linewidth of the observed phonon modes generally broadens as the nanocrystal grows larger, an interesting deviation from the established phonon confinement model. We suggest that strong confinement and truncation of the lattice and ligands anchoring on the surface might lead to pinning of the lattice dynamics at nanoscale. These findings offer new insights into the bulk–nano-transition in halide perovskite soft semiconductors.
Enhancing microwave ablation efficiency with segmented power strategy
Authors: Lu Xiangyang , Huang Jintao , Lu Wanyu
Published: May 2024

Microwave ablation is a highly efficacious method of treating cancer that employs electromagnetic radiation falling within the microwave spectrum. While it is highly effective in managing small to medium sized tumors, it demonstrates certain restrictions when applied to larger tumors. A network partition structure has been constructed to partition the tumor and its neighboring regions. A dynamic simulation has been facilitated through the establishment of a bidirectional coupling model between temperature and electromagnetic fields within the tissue, which was achieved through the design of dependency functions for tissue characteristics and temperature. A strategy for regulating the output of electromagnetic wave energy is presented: segmented microwave power control. The work, utilizing COMSOL Multiphysics simulation software, investigates the characteristics of electromagnetic propagation in the context of tissue properties and electromagnetic energy. Approaches to augment the efficiency of tissue energy absorption, broaden the scope of ablation, and diminish carbonization regions are delineated, thereby providing a theoretical foundation for large-area microwave ablation treatment with a single antenna.
Surface viscosity of liquid interfaces from Green–Kubo relations
Authors: Jedlovszky Pál , Sega Marcello
Published: May 2024

The precise determination of surface transport coefficients at liquid interfaces is critical to an array of processes, ranging from atmospheric chemistry to catalysis. Building on our prior results that highlighted the emergence of a greatly reduced surface viscosity in simple liquids via the dispersion relation of surface excitations [Malgaretti et al., J. Chem. Phys. 158, 114705 (2023)], this work introduces a different approach to directly measure surface viscosity. We use modified Green–Kubo relations suitable for inhomogeneous systems to accurately quantify viscosity contributions from fluid slabs of variable thickness through extensive molecular dynamics simulations. This approach distinguishes the viscosity effects of the surface layer vs the bulk, offering an independent measure of surface viscosity and providing a more detailed understanding of interfacial dynamics and its transport coefficients.
A reliable analytic technique for solving two nonlinear models in mathematical physics
Authors: Alayachi H. S.
Published: May 2024

In this paper, we consider two nonlinear models arising in mathematical physics, namely, the Landau–Ginzburg–Higgs (LGH) equation and the nonlinear dispersive modified Benjamin–Bona (DMBBM) equation. The LGH model describes the exchange between mid-latitude Rossby and equatorial waves, as well as nonlinear waves with long-range and weak scattering interactions between tropical tropospheres and mid-latitude. The DMBBM model explains surface wave propagation estimates in a nonlinear dispersive medium. We employed He’s semi-inverse approach in order to solve these models. Specifically, we present hyperbolic wave solutions. The proposed method is straightforward, reliable, and effective, and its potential for use in solving additional partial differential equations in applied research is encouraging. Appropriate values for the parameters are taken into consideration when simulating certain 2D and 3D graphs that correspond to select solutions using Matlab software.
Embedded sensors for in situ measuring and safety warning in lithium carbon fluorides batteries
Authors: Wan Bingxin , Liu Wen , Ma Shangde , Guo Rui , Yang Weijing , Wu Chao , Liu Yonghui , Xie Jingying
Published: May 2024

Lithium/carbon fluoride (Li/CFx) batteries are highly favored for ultra-high specific energy systems due to their attractive features. However, the significant heat generation poses serious risks including thermal runaway, illustrating the critical need of real-time monitoring during battery operation. Currently, fewer studies have focused on the development of sensors for Li/CFx batteries, especially on the compatibility with embedded sensors. Here, two types of embedded sensors are employed to achieve detection and safety warning. The internal temperature of the Li/CFx battery rises by 8.42 °C at a current rate of 0.1C. Additionally, the embedded atmospheric pressure sensors provide a safety warning with a safety threshold of 0.43 kPa/cm2 before the first destructive venting. Consequently, this nondestructive detection and warning can significantly enhance the safety measures for Li/CFx batteries.