bluuebunny/crossref_metadata_2025 huggingface dataset:
From peel to health: jaboticaba’s phenolics counteract oxidative stress and liver fat buildup
Authors: Viana Kéllen Wanessa Coutinho , Borges Larissa Lorrane Rodrigues , Nascimento Amanda Lais Alves Almeida , Rigolon Thaís Caroline Buttow , de Andrade Neves Nathália , Pinto da Matta Sérgio Luis , Wischral Daiana , Martins Evandro , Campelo Pedro Henrique , Stringheta Paulo César
Published: February 2025

The effect of the administration of different doses of jaboticaba peel phenolic extract (JPPE) on serum biomarkers of hepatic, pancreatic, renal, and oxidative stress and the development of hepatic steatosis in rabbits was evaluated. In this trial, 36 rabbits were divided into six groups: control, hypercholesterolemic diet (HD), HD + 0.4 mg JPPE·kg·day−1, HD + 0.8 mg JPPE·kg·day−1, HD + 0.8 mg JPPE·kg·day−1 on alternate days and HD + 0.3 mg simvastatin·kg·day−1. JPPE consumption reduced levels of lipase and gamma-glutamyltransferase, prevented lipid peroxidation, and stimulated the activity of antioxidant enzymes in the animals’ livers. In addition, it was demonstrated that JPPE supplementation attenuates steatosis in hepatic tissue of rabbits. Therefore, the daily consumption of jaboticaba peel or its phenolic extract can prevent the oxidative and pancreatic damage generated by a hypercholesterolemic diet and the development of non-alcoholic fatty liver disease in rabbits.
Exploring Plogging’s Usefulness and Feasibility in Schools: Insights from Physical Education Teacher Education Students
Authors: Martínez-Mirambell Carlos , García-Taibo Olalla , Fröberg Andreas , Baena-Morales Salvador
Published: February 2025

Education is essential for addressing the global environmental crisis and engaging students through experiential learning is crucial. In physical education, physical literacy offers a holistic approach to sustainable education, with plogging exemplifying this integration. This study investigates the perceptions of Physical Education Teacher Education (PETE) students regarding the implementation of plogging in school curricula. Using qualitative interviews with 80 PETE students and analysing responses with NVIVO 12 software, the study reveals mixed feelings about this innovative practice. Participants see plogging as valuable for fostering both physical literacy and environmental awareness. However, concerns about feasibility include the need for institutional support, curriculum flexibility and community involvement. These findings highlight the potential of plogging to enhance educational programmes by combining physical activity with environmental stewardship. The results can inform the development of future educational strategies that integrate plogging to promote sustainability and holistic student development.
Bring in the Sceptics: Using Science and Technology Studies in law
Authors: Wrigley Sam
Published: February 2025

Understanding the interactions between law, technology and society writ large is a very important task for legal analysis. However, the relationship between these areas can be very complex, resulting in a complex web of interactions and feedbacks. Fortunately, Science and Technology Studies (‘STS’) offers a varied toolkit which can help us to understand how these fields overlap.

In this article, I first providing a brief primer regarding STS and its core ideas. The article then considers some high-level legal discussions (particularly those relating to the concept of technology neutral law, and of Lawrence Lessig’s four modalities of regulation) and considers how STS may help to compliment or expand upon those debates. The article then examines how STS may assist with some current legal discussions, focusing on issues that arise from certain types of automated decision-making, as governed by the GDPR, Article 22. Finally, I provide some starting points for those wishing to incorporate STS into their own work, including some of STS’s limitations for law. I conclude that STS can be a very powerful tool for legal scholars, which can help to reinforce existing approaches and to produce analyses which reflect a fuller range of legal, technical and social nuances.
ON THE ASYMPTOTIC BEHAVIOR OF THE VASCONCELOS INVARIANT FOR GRADED MODULES
Authors: FIORINDO LUCA , GHOSH DIPANKAR
Published: February 2025

The notion of Vasconcelos invariant, known in the literature as v-number, of a homogeneous ideal in a polynomial ring over a field was introduced in 2020 to study the asymptotic behavior of the minimum distance of projective Reed–Muller type codes. We initiate the study of this invariant for graded modules. Let R be a Noetherian

$\mathbb {N}$

-graded ring and M be a finitely generated graded R-module. The v-number

$v(M)$

can be defined as the least possible degree of a homogeneous element x of M for which

$(0:_Rx)$

is a prime ideal of R. For a homogeneous ideal I of R, we mainly prove that

$v(I^nM)$

and

$v(I^nM/I^{n+1}M)$

are eventually linear functions of n. In addition, if

$(0:_M I)=0$

, then

$v(M/I^{n}M)$

is also eventually linear with the same leading coefficient as that of

$v(I^nM/I^{n+1}M)$

. These leading coefficients are described explicitly. The result on the linearity of

$v(M/I^{n}M)$

considerably strengthens a recent result of Conca which was shown when R is a domain and

$M=R$

, and Ficarra–Sgroi where the polynomial case is treated.
Hydropower reservoirs – their potential association with transmission of trematodes in Vietnam
Authors: Le A.H. , Nguyen H.V. , Van Hoang H. , Tran T.A. , Nguyen C.N. , Nguyen B.N. , Nguyen H.T. , Greiman S.E. , Stauffer J.R. , Madsen H. , Nguyen M.H.
Published: February 2025

The effect of reservoir construction on medically important parasites is well known worldwide but lacks information in Vietnam. With 385 active hydropower plants and numerous water reservoirs, Vietnam provides an ideal setting for studying this issue. This study investigated trematode infection in snail first intermediate hosts from three hydropower reservoirs: Hoa Binh, Son La, and Thac Ba. In total, 25,299 snails representing 16 species were examined, with 959 individuals (8 species) shedding identifiable cercariae. Infection prevalence was highest in thiarid snails (5.4%–15.4%), followed by bithynid snails (2.9%–5.8%). Other snail species showed infection prevalence ranging from 0.3% to 2.9%. Infection prevalence varied significantly across regions, with the highest prevalence in Son La, followed by Hoa Binh and Thac Ba reservoirs. However, no significant differences were observed between snails collected from reservoirs versus canals and paddy fields. Morphological identification resulted in nine cercarial morphotypes, with pleurolophocercaria, xiphidiocercariae, and echinostome being the most common types, accounting for 89.2% of all cercarial infections. Echinostome cercariae were found in seven snail species, while the other cercarial morphotypes were shed by two to five species. Gabbia fuchsiana, Parafossarulus manchouricus, and Melanoides tuberculata were the most common hosts, each harboring five cercarial morphotypes, while Radix auricularia only released echinostome type. In conclusion, our findings highlight the endemic presence of trematodes in hydropower reservoirs and emphasize the need to consider the human-environment interaction around these reservoirs for a better understanding of disease transmission risks.
Redescription of the early zoeal stages of the snapping shrimp Synalpheus fritzmuelleri Coutière, 1909 reared in laboratory conditions
Authors: Santos Rafael Carvalho , Pescinelli Régis Augusto , Sene Matheus , Pantaleão João Alberto Farinelli , Costa Rogerio Caetano
Published: February 2025

The present study described and illustrated the larval morphology of the three first zoeal stages (zoea I–III) of Synalpheus fritzmuelleri and compared with the previous described larvae of this species. The results pointed out a variety of differences among the descriptions, most of them related to the type and number of setae and articulation of appendages. The first zoea demonstrates similarities shared with the zoea I within the genus besides the diagnostic described characteristics. Other incongruences were also found such as the lack of information about some structures, such as the maxillule in the zoea I, and the use of ambiguous terms do designate type of setae. Moreover, the more advanced the zoea, additional differences were found among the previous and the current descriptions. Due to that, the necessity to review and also add new descriptions for Synalpheus larvae proves imminent to establish a standardization in the morphological description that will strengthen the comparative relationship in the genus.
A comparison study of senior and junior deck officers’ interpretations of the International Regulations for the Prevention of Collisions at Sea
Authors: Heffernan Ian , O'Mahony Tom
Published: February 2025

The International Regulations for the Prevention of Collisions at Sea (IRPCS) provide a comprehensive set of instructions for watchkeeping officers to follow and prevent collisions at sea. This study compares how six newly qualified deck officers and six Master Mariners, who were all trained at the same college, applied the IRPCS. Individual, semi-structured interviews were used to uncover how the 12 participants applied and interpreted the rules for three authentic scenarios. Phenomenography was used to capture the qualitatively different means by which participants interpreted the IRPCS. For basic collision avoidance situations, the results indicated little difference between the cohorts' ability to interpret and apply the IRPCS. However, when the scenarios became more complicated, Master Mariners outperformed newly qualified deck officers. In these cases, Master Mariners displayed a greater capacity to assess the overall situation, whereas newly qualified deck officers tended to simplify by focusing on a single rule. These findings indicate that training needs to focus on developing situational awareness; and training scenarios need to incorporate multiple vessels in authentic scenarios to enhance newly qualified deck officers' capacities to interpret the IRPCS.
Beyond rationality. Toward a more comprehensive understanding of the use of negative campaigning
Authors: Maier Jürgen , Oschatz Corinna , Stier Sebastian , Dian Mona , Sältzer Marius
Published: February 2025

Most scholars agree that candidates’ use of negative campaigning is based on rational considerations, i.e., weighing likely benefits against potential costs. We argue that this perspective is far too narrow and outline the elements of a comprehensive model on the use of negative campaign communication that builds on personality traits, values, social norms, and attitudes toward negative campaigning as complementary mechanisms to classical rational choice theory. We test our theoretical assumptions using candidate surveys for twelve state elections in Germany with more than 3,100 candidates. Our results strongly suggest that negative campaigning goes beyond rational considerations. Although benefit–cost calculations are the primary driver of the decision to attack the opponent, other factors are also important and enhance our understanding of why candidates choose to engage in negative campaign communication. Our findings have important implications for research on candidate attack behavior.
High-gain circularly polarized Fabry–Perot resonator antenna based on advanced polarization conversion metasurface
Authors: He Xin , Qin Wenhua , Wang Kaize , Xu Juan
Published: February 2025

In this paper, a novel polarization conversion metasurface (PCM) is proposed. Compared with the conventional receiver-transmitter metasurface units, two metallized via holes are set up to correct the current. It can achieve better polarization conversion from linear to circular and maintain a high reflectivity performance. A patch antenna with an L-probe feed is used as a feeder. The circularly polarized Fabry–Perot resonator antenna (CP-FPRA) consists of the PCM with a 5 × 5 array and a feeder. The measurements indicate a 3 dB axial ratio (AR) bandwidth of 8.6% (22.3–24.3 GHz). And it achieves a maximum gain of 14.2 dBic at 24 GHz, compared to the feed antenna has a gain enhancement of 5.5 dBi (from 8.7 dBi to 14.2 dBic). The proposed CP-FPRA has high gain, a wide AR, and a relatively low profile, providing ideas for subsequent antenna designs.
Resonant inelastic X-ray scattering tools to count 5 f electrons of actinides and probe bond covalency
Authors: Schacherl Bianca , Tagliavini Michelangelo , Kaufmann-Heimeshoff Hanna , Göttlicher Jörg , Mazzanti Marinella , Popa Karin , Walter Olaf , Pruessmann Tim , Vollmer Christian , Beck Aaron , Ekanayake Ruwini S. K. , Branson Jacob A. , Neill Thomas , Fellhauer David , Reitz Cedric , Schild Dieter , Brager Dominique , Cahill Christopher , Windorff Cory , Sittel Thomas , Ramanantoanina Harry , Haverkort Maurits W. , Vitova Tonya
Published: February 2025

The actinides possess a complex electronic structure, making their chemical and physical properties among the least understood in the periodic table. Advanced spectroscopic tools, able to obtain deep insights into the electronic structure and binding properties of the actinides, are highly desirable. Here, we introduce two sensitive spectroscopic tools: one determines the number of localized 5f electrons on an actinide atom, and another assesses the covalent character of actinide-ligand bonding. Both tools are based on the multiplet structure present in actinide M4 edge core-to-core resonant inelastic X-ray scattering (CC-RIXS) maps. The spectral intensity of different many-body final-state multiplets directly depends on the local many-electron ground-state symmetry including the local 5 f spin configuration. By comparing U M4 edge CC-RIXS data for 21 U, Np, Pu and Am compounds, we demonstrate the ability to compare the number of localized 5 f electrons and bond covalency across the actinide series.
A neuronal code for object representation and memory in the human amygdala and hippocampus
Authors: Cao Runnan , Brunner Peter , Chakravarthula Puneeth N. , Wahlstrom Krista L. , Inman Cory , Smith Elliot H. , Li Xin , Mamelak Adam N. , Brandmeir Nicholas J. , Rutishauser Ueli , Willie Jon T. , Wang Shuo
Published: February 2025

How the brain encodes, recognizes, and memorizes general visual objects is a fundamental question in neuroscience. Here, we investigated the neural processes underlying visual object perception and memory by recording from 3173 single neurons in the human amygdala and hippocampus across four experiments. We employed both passive-viewing and recognition memory tasks involving a diverse range of naturalistic object stimuli. Our findings reveal a region-based feature code for general objects, where neurons exhibit receptive fields in the high-level visual feature space. This code can be validated by independent new stimuli and replicated across all experiments, including fixation-based analyses with large natural scenes. This region code explains the long-standing visual category selectivity, preferentially enhances memory of encoded stimuli, predicts memory performance, encodes image memorability, and exhibits intricate interplay with memory contexts. Together, region-based feature coding provides an important mechanism for visual object processing in the human brain.
Evaluating flood dynamics and effects in Nagpur city using remote sensing and Shannon’s entropy analysis
Authors: Diwate Pranaya , Lavhale Prasanna , Pande Chaitanya Baliram , Sammen Saad Sh. , Refadah Samyah Salem , Khan Mohd Yawar Ali , Elkhrachy Ismail , Salem Ali
Published: February 2025

Flood is among the most disastrous natural disasters since they are responsible for massive damage to infrastructure, severe fatalities and injuries, innumerable economic losses, and social disruptions worldwide. These damages caused by floods have been worsening in recent years worldwide because of environmental degradation, climatic change, and high-speed urbanization. A rising precipitation rate increases the chances of floods in flood-vulnerable areas. A flash flood is a rapid flooding of geomorphic low-lying regions caused by remarkably high rainfall in a short duration. On September 23rd, 2023 a flooding event in the Nagpur, Maharashtra, it is directly impact on the human death and economic loss entire city. In the present study, the change in the dynamics of Nagpur city was analysed by employing remote sensing and GIS techniques to assess the change in the land use and land cover patterns. Landsat imagery of year 2000, 2010, 2020, and 2023 was used for land use and land cover classification. This analysis reveals that there is an increase in built-up area from 72.85 sq. km in year 2000 to 185.4 sq. km in year 2023. The built up land is increased this changes where directly affects the infiltration rate of rainwater into the soil. The total area covered by water bodies is reduced to 2.29 sq. km in 2023 which were 12.2 sq. km in year 2000. It is indicates the encroachment of built-up land on the water bodies. On the day of flash flood occurrence, it was observed that Nagpur city received 145 mm rainfall which is highest in the month of September, 2023. The Shannon entropy model was used to estimate the population dynamics and growth patterns of Nagpur city. Higher entropy values were obtained during the analysis which indicates the rapid transformation of city in all directions. Population dynamics of Nagpur city also indicate the inflation in population from 4,067,637 in 2000 to 4,653,570 in 2010. The SAR water index was calculated using Google Earth Engine to detect the water surges in residential areas during the flood. Precautionary measures should be taken by governing authorities to avoid such disasters. Proper city planning and improvements in drainage systems are recommended within the city. It is needed for an hour to develop a river monitoring system and early warning system, as well as preventive measures that should be implemented, like the construction of retaining walls to control the flood water.
A Compact 2-D photonic crystal biomedical sensor for enhanced glucose concentration detection in urine
Authors: Hamed Mahmoud M. , Mohammed Nazmi A. , Badawi Kareem A.
Published: February 2025

This study introduces a 2-D Photonic Crystal (PhC) biosensor designed, simulated, and evaluated for detecting glucose concentrations in urine by utilizing refractive index variations. The sensor demonstrates exceptional performance, achieving a sensitivity of 20,040.30 nm/RIU for glucose levels ranging from 0–15 mg/dl, a quality factor of 10,424.55, and a detection limit as low as 8 × 10−10, surpassing benchmarks reported in the literature. With compact dimensions of 16.8 × 17.6 µm2 and compatibility with modern fabrication techniques, the proposed design is well suited for integration into portable diagnostic devices. A comprehensive comparative analysis underscores its superior sensitivity, ultra-high quality factor, and compact design, establishing it as a major advancement in glucose detection technology.
Effect of gold nanoparticles treatment on rats-induced obesity by evaluating body-composition directly and indirectly via bioelectric impedance analysis
Authors: Selima Rana M. , Saleem Israa A. , Shawki Mamdouh M. , Darwish Amira A. , Yehia Mona A. , Mohamed Ehab I.
Published: February 2025

Obesity is a metabolic disease characterized by an imbalance between caloric intake and expenditure, leading to excess fat and increasing the risk of various health conditions. This study compares the anti-obesity effects of gold nanoparticles (AuNPs) to orlistat in an experimental model of induced obesity in Wistar Albino rats. In addition to negative and positive control rats, obese rats were treated with variable daily and weekly doses of AuNPs and daily orlistat for nine weeks. Bioelectric impedance analysis (BIA) and dissection techniques were used to indirectly and directly measure body-composition in all rat groups. Hepatic and renal function and ultrastructure were assessed by blood biochemical and histological examinations to detect treatment-related alterations. High doses of AuNPs reduced body fat, increased muscle mass, improved dyslipidemia, glycemia, and antioxidant effects in obese rats, and restored normal TG, FBG, and MDA levels by reducing obesity-related oxidative damage. Histological and ultrastructural examinations showed that these high doses repaired liver and kidney cells, and reduced fat accumulation and body weight compared to the standard treatment for obesity by orlistat.
BO-CLAHE enhancing neonatal chest X-ray image quality for improved lesion classification
Authors: Han Jiwon , Choi Byungmin , Kim Jae Young , Lee Yeonjoon
Published: February 2025

In the case of neonates, especially low birth weight preterm and high-risk infants, portable X-rays are frequently used. However, the image quality of portable X-rays is significantly lower compared to standard adult or pediatric X-rays, leading to considerable challenges in identifying abnormalities. Although attempts have been made to introduce deep learning to address these image quality issues, the poor quality of the images themselves hinders the training of deep learning models, further emphasizing the need for image enhancement. Additionally, since neonates have a high cell division rate and are highly sensitive to radiation, increasing radiation exposure to improve image quality is not a viable solution. Therefore, it is crucial to enhance image quality through preprocessing before training deep learning models. While various image enhancement methods have been proposed, Contrast Limited Adaptive Histogram Equalization (CLAHE) has been recognized as an effective technique for contrast-based image improvement. However, despite extensive research, the process of setting CLAHE’s hyperparameters still relies on a brute force, manual approach, making it inefficient. To address this issue, we propose a method called Bayesian Optimization CLAHE(BO-CLAHE), which leverages Bayesian optimization to automatically select the optimal hyperparameters for X-ray images used in diagnosing lung diseases in preterm and high-risk neonates. The images enhanced by BO-CLAHE demonstrated superior performance across several classification models, with particularly notable improvements in diagnosing Transient Tachypnea of the Newborn (TTN). This approach not only reduces radiation exposure but also contributes to the development of AI-based diagnostic tools, playing a crucial role in the early diagnosis and treatment of preterm and high-risk neonates.
Tester selection for combining ability estimation of storage root yield and sweetpotato virus disease in sweetpotato breeding
Authors: Swanckaert Jolien , dos Santos Iara Gonçalves , Chaves Saulo F. S. , Ssali Reuben , Mwanga Robert O. M. , Azevedo Camila Ferreira , Mendes Thiago O. , De Boeck Bert , Eyzaguirre Raul , Kitavi Mercy , Gemenet Dorcus C. , Andrade Maria , Grüneberg Wolfgang J. , Lindqvist-Kreuze Hannele , Yencho G. Craig , Campos Hugo , da Silva Pereira Guilherme
Published: February 2025

General combining ability (GCA) is the major selection criterion for new sweetpotato (Ipomoea batatas) parents in a reciprocal recurrent selection (RRS) scheme. Here we aimed to estimate GCA and specific combining ability (SCA) by using 16 potential testers involved in an 8 × 8 partial diallel and propose a procedure to identify testers in sweetpotato breeding. Data on storage root yield in tons per hectare (rytha), and sweetpotato virus disease (vir2) from 64 families (1,913 clones) were collected in five trials at two locations in Uganda. The estimates of the female GCA accounted for the largest additive genetic variation for storage root yield compared to the male GCA for both traits. Mid-parent heterosis ranged from − 6.2 to 7% for rytha, and − 1.1 to 1.3% for vir2 in the progeny families. A stepwise procedure to identify testers top-ranked ‘NASPOT 7’ as a dual tester for both traits. Besides this parent, ‘Ejumula’ and ‘NASPOT 10 O’ for rytha, and ‘NASPOT 1’, ‘NK259L’, ‘SPK004’, and ‘NASPOT 11’ for vir2 are particularly suitable as respective single-trait testers. Testers are important in many plant breeding programs to enhance efficiency of RRS, and thus other crop species might benefit from the strategy and methods applied herein.
Distinct water and phosphorus extraction patterns are key to maintaining the productivity of sorghum under drought and limited soil resources
Authors: Loftus Sara , Sauer Anna M. , Schneider Eva M. , Erugoti Lalitha K. , Tharanya Murugesan , Rötter Reimund P. , Kholová Jana , Ahmed Mutez A. , Dippold Michaela A.
Published: February 2025

Nutrient and water limitations contribute to yield losses in semi-arid regions. Therefore, crop rotations incorporating nitrogen-fixing legumes and drought-tolerant sorghum varieties offer a strategy to improve the utilization of scarce soil resources. Under semi-arid, field-like conditions, sorghum crop rotations with either cowpea pre-crop or fallow, including two early and three late maturing genotypes, were tested to identify stress adaptation traits of sorghum to water and phosphorus limitations. Morphological and physiological parameters were evaluated on a single-plant basis. Lower soil P content significantly delayed flowering compared to higher P levels. However, improved P availability arising from pre-crop residues reduced this effect. Mycorrhizal infection rates and root-to-shoot ratios were positively correlated with panicle N and P content at anthesis under low P conditions. Although drought significantly impacted yield, early maturing genotypes with the highest reduction in shoot biomass and reduced water use before flowering, could sustain yield production. Early-maturing genotypes characterized by high root-to-shoot ratios, rapid AMF establishment, and reduced water use before flowering exhibit a strong potential for maintaining yield and biomass production on nutrient-poor soils in semi-arid regions. Such genotypes conserve water before flowering and thus can alleviate post-flowering water stress, ensuring adequate P uptake despite low soil P availability.
Dispersive liquid–liquid microextraction for the determination of urinary 8-hydroxy 2′-deoxyguanosine in COVID-19 patients by gas chromatography-mass spectrometry
Authors: Zare Sanaz , Zahraei Zohreh , Khodadadi Mohammad , Zarean Maryam , Salehi Azam
Published: February 2025

COVID-19 disease has led to many deaths worldwide and early detection of people at a high risk of severe forms of this disease would greatly help physicians.
In vitro and in vivo degradation studies of a dual medical-grade scaffold design for guided soft tissue regeneration
Authors: Mohseni Mina , Cometta Conde Silvia , Klein Leopold , Wille Marie-Luise , Vaquette Cedryck , Hutmacher Dietmar , Medeiros Savi Flavia
Published: February 2025

Biodegradable scaffolds with tailored mechanical-structural properties are critical for scaffold-guided soft tissue regeneration (SGSTR). SGSTR requires scaffolds with controllable degradation and erosion properties to provide enduring mechanical-structural integrity and strength...
Chemically grafting Ni(ii)–dithiocarbamate complex onto graphene oxide nanosheets for selective and ultrafast removal of toxic anionic methyl orange dye from water
Authors: Javanmard Masoumeh , Farhadi Saeed , Mohammadi-Gholami Abdelnasser , Mahmoudi Farzaneh
Published: February 2025

Ni(ii)–dithiocarbamate complex was chemically bound to graphene oxide nanosheets and used for selective and ultrafast removal of methyl orange (MO) dye from water.
Heterobifunctional cross-linker with dinitroimidazole and azide modules for protein and oligonucleotide functionalization
Authors: Luo Qunfeng , Liu Shuli , Hua Yaoguang , Long Chunqiu , lv Sijia , Li Juncheng , Zhang Yuzhi
Published: February 2025

Heterobifunctional cross-linker 1 facilitates preparing various functional agents bearing a dinitroimidazole warhead via the SPAAC reaction and does well in protein and oligonucleotide functionalization.
2-Amino-4,6-diarylpyrimidines as potential chronic myeloid leukemia cell inhibitors targeting anti-ABL1 kinase: microwave-assisted synthesis, biological evaluation, molecular docking, and dynamics studies
Authors: Phan Thi-Anh-Truc , Ngo Kim-Khanh-Huy , Nguyen Thi-Cam-Thu , Mai Thanh-Tan , Nguyen Hai-Dang , Duong Thu-Trang , Tran Le-Phu , Duong Thanh-Tuyen , Huynh Thi-Kim-Chi , Koroleva Elena V. , Ignatovich Zhanna V. , Ermolinskaya Anastasiya L. , Nguyen Hoang-Phuc , Nguyen Thi-Hong-An , Ton Anh-Khoa , Do Tuong-Ha , Hoang Thi-Kim-Dung
Published: February 2025

2-Amino-4,6-diarylpyrimidines were synthesized in a two-step procedure using MW irradiation. In vitro and in silico experiments showed that 1e is a promising and stable inhibitor of wild and mutant-type ABL1 in chronic myeloid leukemia treatment.
Sulphidation of Cu2+, CuO and Cu2O within the matrix of carboxylic cation exchangers – compositional, morphological and thermal properties of CuxS containing composites
Authors: Kociołek-Balawejder Elżbieta , Jacukowicz-Sobala Irena , Winiarski Juliusz , Mucha Igor , Winiarska Katarzyna
Published: February 2025

New hybrid cation exchangers containing CuxS clusters. Sulfidation product depends on the type of HIX and precursor. Copper and sulfur are distributed throughout the entire volume of the HIXs. High thermal stability of of prepared HIXs.
Development of a novel semi-automated analytical system of microplastics using reflectance-FTIR spectrometry: Designed for the analysis of large microplastics
Authors: Nakajima Ryota , Sawada Hiromi , Hayashi Shinichiro , Nara Akishi , Hattori Mitsunari
Published: February 2025

The (semi-) automation of microplastic analysis would dramatically accelerate the otherwise time-consuming and labor-intensive process, enabling more efficient identification of global microplastic distribution. Numerous methods have been proposed for the...
Production of 1,4:3,6-dianhydro-α-d-glucopyranose from methyl 3,6-anhydro-α-d-glucopyranoside and its taste identification
Authors: Chen Zhifei , Ning Yibo , Li Lei , Cao Xueying , Xi Gaolei , Cheng Dongxu , Wang Qingfu , Lu Changtong , Yang Kai
Published: February 2025

Synthesis and sweet performance of DGP for the first time. Intramolecular cyclization of 6-O-tosyl glucopyranoside catalyzed by TBAF. The crucial role of HFIP in intramolecular cyclization of 3,6-anhydro glucopyranoside.
Correction: Enhancing the durability of aluminium-foil anodes in rechargeable lithium batteries via uniformly distributed alloy addition in the matrix phase
Authors: Li Hongyi , Nishimura Shohei , Liu Weiqi , Okamoto Norihiko L. , Matsumoto Shingo , Nakata Yuki , Hoshikawa Hiroaki , Kumagai Toshiaki , Yamaguchi Takitaro , Ichitsubo Tetsu
Published: February 2025

Correction for ‘Enhancing the durability of aluminium-foil anodes in rechargeable lithium batteries via uniformly distributed alloy addition in the matrix phase’ by Hongyi Li et al., J. Mater. Chem. A, 2025, https://doi.org/10.1039/D4TA07956F.
Functional knee positioning in patients with valgus deformity undergoing image-based robotic total knee arthroplasty: Surgical technique
Authors: Gregori Pietro , Koutserimpas Christos , De Fazio Andrea , Descombris Sarah , Servien Elvire , Batailler Cécile , Lustig Sébastien
Published: February 2025

Background: Functional knee positioning (FKP) represents an innovative personalized approach for total knee arthroplasty (TKA) that reconstructs a three-dimensional alignment based on the optimal balance of soft tissue and bony structures, but it has mostly been described for varus knee deformity. Surgical technique: Valgus deformities present specific challenges due to altered bone remodeling and soft tissue imbalances. Using robotic assistance, FKP enables precise intraoperative assessment and correction of compartmental gaps, accommodating each individual’s unique anatomy and laxities. The distal femoral cut is calibrated for 9 mm resection at the intact medial femoral condyle and adjusted on the lateral side to accommodate bone wear, while the tibial plateau resection aims for 8 mm from the medial side and 4–6 mm from the lateral side. Intraoperative evaluations of mediolateral laxities are performed at extension and 90° flexion. Adjustments are made to femoral and tibial cuts to balance gaps, aiming for 0 mm in posterior stabilized implants and minimal discrepancies in cruciate-retaining designs with lateral gap looser in flexion. Discussion: FKP emphasizes soft tissue-driven adjustments with the use of robotic platforms. Hence, intact soft tissue envelope of the knee is essential. This technique holds significant promise for managing valgus deformities in TKA, but further research is needed to evaluate its functional outcomes.
A Novel Method for Estimating the Sensitivity of Homeopathic Repertories
Authors: Poruthukaren Kurian , Joseph Jeenu , Mathews Theresa
Published: February 2025

Background Homeopathic repertories are essential tools in remedy diagnosis, helping practitioners match patient symptoms with those produced by remedies. However, repertories often need to be revised due to omissions, misinterpretations, and incomplete representation of remedy symptoms. Despite their importance, the sensitivity of repertories – their ability to correctly identify remedies based on corresponding rubrics – has never been systematically estimated. Addressing this gap is crucial to ensuring repertories' accuracy, reliability and validity in homeopathic practice.

Methods We adopted the sensitivity formula used in medical diagnostics, where true positives indicate correct remedy identification and false negatives represent failures. This method was applied to Kent's repertory for Allium cepa using symptoms from Hering's Guiding Symptoms of our Materia Medica. We extracted the rubrics and identified the non-representing rubrics and omissions. We created a Python script that generated combinations of rubrics based on Allen's ‘three-legged stool rule’. We calculated the sensitivity as the ratio of true positives to total combinations.

Results Of the 525 symptoms of Allium cepa, we extracted 364 rubrics from Kent's repertory, with 161 symptoms omitted. Among the extracted rubrics, 111 failed to represent Allium cepa. The Python script generated 23,979,550 combinations, of which 21,050,260 (87.78%) were false negatives, and 2,929,290 (12.2%) were true positives.

Conclusion The sensitivity of Kent's repertory for Allium cepa was estimated as 12.2%. The method can thus effectively estimate the sensitivity for given remedies in a homeopathic repertory. Applying this method to other remedies would enhance a repertory's diagnostic accuracy and could lead to the development of artificial intelligence-driven tools for repertorial analysis.
On the limits of empire
Authors: Griffiths Ryan D.
Published: February 2025

What are empires and are they qualitatively different from other political forms like the state? Empire is a contested term. It is used in different and inconsistent ways in not only the lay discourse, but also in the social sciences. I contend that there is no stable definition, and that the employed meaning of empire by academics variously stresses purpose, process, and different aspects of structure. These usages can be contradictory because each meaning implies different conceptual limits to the concept of empire, resulting in surprising outcomes in terms of what counts. I do not argue that one meaning should be adopted over others; the term is contested, and scholars will employ the meaning that is consistent with their research agenda. However, I caution that conceptual stretching is bound to happen if scholars adopt a meaning from one discourse and apply it elsewhere.
Quadratic and cubic Gaudin Hamiltonians and super Knizhnik-Zamolodchikov equations for general linear Lie superalgebras
Authors: Cao Bintao , Cheong Wan Keng , Lam Ngau
Published: February 2025

We show that under a generic condition, the quadratic Gaudin Hamiltonians associated to gl(p+m|q+n) are diagonalizable on any singular weight space in any tensor product of unitarizable highest weight gl(p+m|q+n)-modules. Moreover, every joint eigenbasis of the Hamiltonians can be obtained from some joint eigenbasis of the quadratic Gaudin Hamiltonians for the general linear Lie algebra gl(r+k) on the corresponding singular weight space in the tensor product of some finite-dimensional irreducible gl(r+k)-modules for r and k sufficiently large. After specializing to p = q = 0, we show that similar results hold as well for the cubic Gaudin Hamiltonians associated to gl(m|n). We also relate the set of singular solutions of the (super) Knizhnik-Zamolodchikov equations for gl(p+m|q+n) to the set of singular solutions of the Knizhnik-Zamolodchikov equations for gl(r+k) for r and k sufficiently large.
Two-dimensional transition-metal halogenides with Mexican-hat-shaped band as a correlated topological insulator
Authors: Hou Yi-Na , Wang Bo-Jing , Jin Chen-Dong , Zhang Hu , Wang Jiang-Long , Gong Peng-Lai , Lian Ru-Qian , Shi Xing-Qiang , Wang Rui-Ning
Published: February 2025

Graphene, the atomic layer of carbon, is one of the most intensely studied objects since it was isolated for the first time in 2004. However, its Dirac bands are made up of pz orbitals, which creates certain limitations in correlated physics. Here, we replace carbon with transition-metal atoms (M: Ti, Zr, and Hf) to form a corrugated honeycomb lattice. Moreover, both the topside and downside are passivized by halogen atoms (X: F, Cl, Br, and I), making sure that all of them are thermodynamically stable. Due to the irregularly octahedral crystalline field on M-d orbitals, two energy bands derived from dxy and dx2−y2 orbitals intersect each other at the center of the Brillouin zone. Unlike graphene, this intersection is not conical but bell-shaped, further showing the Mexican-hat-shaped dispersion slightly higher than the Fermi level for TiCl, TiBr, and MI (M: Ti, Zr, and Hf). Moreover, the Mexican-hat coefficient could be controllably modulated by the biaxial strain. More interestingly, these intersecting points are robust on the on-site Coulomb interaction, but could be split by the spin-orbital coupling (SOC). Due to the strong SOC strength of correlated dxy and dx2−y2 orbitals, the gap induced by SOC is three orders of magnitude larger than that of pz orbitals in graphene. Furthermore, the topological invariant and edge-states spectrum are calculated to suggest that transition-metal halogenides are non-trivial topological insulators with the topological invariant Z2=1.
Impacts of silicon carbide defects on electrical characteristics of SiC devices
Authors: Lai Lingling , Cui Yingxin , Zhong Yu , Cheong Kuan Yew , Linewih Handoko , Xu Xiangang , Han Jisheng
Published: February 2025

With more than thirty years of research and development until commercialization, performance, reliability, and robustness of silicon carbide (SiC) based devices have been improved significantly due to drastic reduction in crystal defects from the well-controlled processes of crystal growth and device fabrication. It is crucial to investigate the effects of SiC crystal defects on the electrical characteristics of devices. Here, an up-to-date development of the correlation between crystal defects of SiC with electrical performance of the devices has been reviewed. The effect of defects on the electrical parameters of the device and the failure mechanism are discussed, and the development of SiC in recent years is prospected.
On the entanglement of chromophore and solvent orbitals
Authors: Ji Xinwei , Pei Zheng , Huynh Kim Ngan , Yang Junjie , Pan Xiaoliang , Wang Binju , Mao Yuezhi , Shao Yihan
Published: February 2025

Among various types of chromophore–solvent interactions, the entanglement of chromophore and solvent orbitals, when significant, can cause the chromophore frontier orbitals to spread over to nearby solvent molecules, introducing partial charge-transfer character to the lowest excitations of the chromophore and lowering the excitation energies. While highly intuitive, the physical details of such orbital entanglement effects on the excitation energies of chromophores have yet to be fully explored. Here, using two well-known biochromophores (oxyluciferin and p-hydroxybenzyledene imidazolinone) as examples, we show that the chromophore–solvent orbital entanglements can be elucidated using two quantum mechanical embedding schemes: density matrix embedding theory and absolutely localized molecular orbitals. However, there remains a great challenge to incorporate the orbital entanglement effect in combined quantum mechanical molecular mechanical (QM/MM) calculations, and we hope that our findings will stimulate the development of new methods in that direction.
Graded Poisson and graded Dirac structures
Authors: de León Manuel , Izquierdo-López Rubén
Published: February 2025

There have been several attempts in recent years to extend the notions of symplectic and Poisson structures in order to create a suitable geometrical framework for classical field theories, trying to achieve a success similar to the use of these concepts in Hamiltonian mechanics. These notions always have a graded character, since the multisymplectic forms are of a higher degree than two. Another line of work has been to extend the concept of Dirac structures to these new scenarios. In the present paper we review all these notions, relate them and propose and study a generalization that (under some mild regularity conditions) includes them and is of graded nature. We expect this generalization to allow us to advance in the study of classical field theories, their integrability, reduction, numerical approximations and even their quantization.
Modeling carrier trapping at semiconductor/dielectric interfaces based on first-principles calculations of nonradiative capture
Authors: Shin Yongjin , Turiansky Mark E. , Wickramaratne Darshana , Lee Byounghak , Van de Walle Chris G.
Published: February 2025

We demonstrate a quantitative framework to evaluate a nonradiative capture process with multiphonon emission in a semiconductor/dielectric heterostructure, mediated by a tunneling process. In addition to evanescent tunneling decay, the presence of an internal electric field modifies the relative energy depth of the carrier trap depending on the distance, modulating the overall capture behavior. We quantitatively derive the capture rate based on the parameters of the device structure (gate voltage, threshold voltage, dielectric material thickness, and temperature). We benchmark the formalism for the case of a Si/SiO2 heterostructure, using an isolated Si dangling bond in α-quartz as a prototype defect in silica. We find that the calculated capture coefficients show a nonmonotonic trend as a function of distance of the defect from the interface, due to countervailing trends in capture barrier and wave-function decay. The predicted capture rates are in reasonable agreement with experimentally measured capture time constants, showing promise for the application of this compact model.
Unified neural network model for predicting optical responses in gold nanostructures
Authors: Wang Xiaobo , Cao Yu , Feng Feng , Wang Ziyuan , Cao Yuchen
Published: February 2025

In this paper, we present a deep neural network model capable of simultaneously predicting the optical transmittance spectra of three distinct gold nanostructures: nanodisks, truncated cones, and nanocones. Our model achieved a mean squared error loss as low as 0.0015. By systematically varying geometric parameters, we generated a comprehensive dataset to train the model, which captures complex dependencies between structure and optical response. A key finding is the redshift in resonance dip associated with increasing sidewall tilt. We further validated the model by comparing its predictions with experimental results, showing excellent agreement. This work demonstrates a powerful, data-driven approach for the rapid design and optimization of plasmonic nanostructures, opening new possibilities for nanophotonic applications.
Pedestal formation via different trajectories in the stability space in response to the timing scan of neutral beam heating in DIII-D
Authors: Banerjee Santanu , Turco F. , Mordijck S. , Groebner R. , Osborne T. , Luce T.
Published: February 2025

The frequency of type-I ELMs decreases as the initiation of the neutral beam injection (NBI) heating is delayed with respect to the time when plasma current (Ip) reaches flat-top in the ITER Baseline Scenario discharges in DIII-D. Henceforth, the time gap between the NBI initiation and Ip flat-top will be referred to as “heating delay.” As the heating delay is modified, pedestal formation follows different trajectories in the edge current density–pedestal pressure gradient (jedge−∇peped) space from the L-H transition toward the first ELM event. During the stationary phase after the first ELM, the ELM frequency (fELM) decreases by a factor of ∼2 as the heating delay is increased. A longer pedestal recovery time in the inter-ELM period is observed for the low fELM discharges as compared to the high fELM discharges. Both low and high fELM discharges show nearly identical profiles of electron density and temperature and have a similar MHD stability just before an ELM crash. However, a marked difference is observed in the magnetic spectrogram of the high and low fELM discharges in response to the variation in the heating delay. The main difference is in the 200–400 kHz range of the magnetic spectra. A quasi-coherent mode (QCM) at 220 kHz and weaker broadband fluctuations are observed in the high fELM discharges, while only strong broadband fluctuations are prevalent in the low fELM discharges. ELM-synchronized analysis shows that the time evolution of these modes is different for the high and low fELM discharges. The localization of both these modes is confirmed at the maximum gradient region of the pedestal. We hypothesize that these modes cause important pedestal transport and that the difference in the pedestal recovery of the high and low fELM discharges is a result of the difference in transport driven by these modes, as they change with changes in the heating delay. It is demonstrated experimentally for the first time that discharges with similar pedestal parameters can carry the history of the heating delay into the stationary phase and that changes in turbulent-driven transport are a likely cause of changes in fELM observed with variations of heating delay.
Rossby waves under time-varying shear with the complete Coriolis force
Authors: Liu Na , Yin Xiaojun , Zhang Ruigang , Liu Quansheng
Published: February 2025

Large-scale Rossby waves are of great significance in influencing the weather and climate system due to the Coriolis force. In this paper, we derive a variable coefficient extended Korteweg–de Vries model to describe large-scale Rossby waves. This model is obtained from the potential vorticity equation, which incorporates the complete Coriolis force, using the Gardner–Morikawa coordinate transformation and perturbation theory. Subsequently, we obtain N-soliton solutions and breather solutions with horizontal Coriolis parameters through the Hirota bilinear theory. Moreover, based on different basic flows, we analyze the evolution of the amplitudes of Rossby waves, encompassing solitons, breathers, and their interactions. The results reveal that the horizontal component of the Coriolis force impacts the propagation trajectory of the solitons, potentially transforming elevation solitons into depression solitons during their propagation. Furthermore, the horizontal Coriolis parameters can modify the polarity of Rossby wave amplitudes and cause blockages to move in a zonal direction. The findings also suggest that the beta effect, the background westerly wind, and the horizontal component of the Coriolis force all influence the strength and evolution of the dipole blockage. In particular, a cotangent time-varying shear flow can lead to the transition from monopole blockage to dipole blockage. It is hoped that these discoveries will be useful in the study of atmospheric and oceanic Rossby waves.